smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001752957493 1167292171 /nfs/dbraw/zinc/29/21/71/1167292171.db2.gz ABTCMDOTFSTUIJ-AWEZNQCLSA-N 2 2 290.411 1.367 20 30 CDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106225712 913661435 /nfs/dbraw/zinc/66/14/35/913661435.db2.gz CNXRAIKBBYSSOM-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106225712 913661444 /nfs/dbraw/zinc/66/14/44/913661444.db2.gz CNXRAIKBBYSSOM-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881227 913821983 /nfs/dbraw/zinc/82/19/83/913821983.db2.gz LVQVLCLUWZSNNN-ZDUSSCGKSA-N 2 2 276.384 1.240 20 30 CDEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881258 913820258 /nfs/dbraw/zinc/82/02/58/913820258.db2.gz MORLSZORIBQEFH-CYBMUJFWSA-N 2 2 278.400 1.793 20 30 CDEDLP N#Cc1ccc2cc[nH+]c(N3C[C@H]4COC[C@@H](C3)C4[NH3+])c2c1 ZINC001167186128 894830996 /nfs/dbraw/zinc/83/09/96/894830996.db2.gz WFKQKJFCTKTMDW-MZBDJJRSSA-N 2 2 294.358 1.516 20 30 CDEDLP C=CCCCCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346283 895372536 /nfs/dbraw/zinc/37/25/36/895372536.db2.gz KPSAHOYQEPNNDN-UHFFFAOYSA-N 2 2 278.400 1.795 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617242 915903339 /nfs/dbraw/zinc/90/33/39/915903339.db2.gz BHVSDLRGSOIPCC-IPYPFGDCSA-N 2 2 290.411 1.886 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617243 915904274 /nfs/dbraw/zinc/90/42/74/915904274.db2.gz BHVSDLRGSOIPCC-YDHLFZDLSA-N 2 2 290.411 1.886 20 30 CDEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182996804 918247665 /nfs/dbraw/zinc/24/76/65/918247665.db2.gz HDCALTJUTWHNRK-CZUORRHYSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050062201 936554874 /nfs/dbraw/zinc/55/48/74/936554874.db2.gz JQRKKLPTBXICEG-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050062201 936554875 /nfs/dbraw/zinc/55/48/75/936554875.db2.gz JQRKKLPTBXICEG-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050062201 936554878 /nfs/dbraw/zinc/55/48/78/936554878.db2.gz JQRKKLPTBXICEG-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050062201 936554880 /nfs/dbraw/zinc/55/48/80/936554880.db2.gz JQRKKLPTBXICEG-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100744120 936932234 /nfs/dbraw/zinc/93/22/34/936932234.db2.gz JVMOCNMIBLPXFR-IYXRBSQSSA-N 2 2 288.395 1.096 20 30 CDEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100744120 936932236 /nfs/dbraw/zinc/93/22/36/936932236.db2.gz JVMOCNMIBLPXFR-IYXRBSQSSA-N 2 2 288.395 1.096 20 30 CDEDLP C#CCC[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201588899 926345497 /nfs/dbraw/zinc/34/54/97/926345497.db2.gz PHPNXNONNOXEDK-UHFFFAOYSA-N 2 2 296.374 1.552 20 30 CDEDLP N#Cc1cc2c(cccc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)[nH]1 ZINC001169073409 927689133 /nfs/dbraw/zinc/68/91/33/927689133.db2.gz HBGSFKIULXGTBF-SNVBAGLBSA-N 2 2 281.319 1.087 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154001811 937490692 /nfs/dbraw/zinc/49/06/92/937490692.db2.gz XCEKLDVGTASILK-CYBMUJFWSA-N 2 2 291.395 1.645 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154001811 937490693 /nfs/dbraw/zinc/49/06/93/937490693.db2.gz XCEKLDVGTASILK-CYBMUJFWSA-N 2 2 291.395 1.645 20 30 CDEDLP C=CCCCCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171236825 932079216 /nfs/dbraw/zinc/07/92/16/932079216.db2.gz DLDOGJMHIMSEMR-UHFFFAOYSA-N 2 2 292.427 1.805 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091632999 932511912 /nfs/dbraw/zinc/51/19/12/932511912.db2.gz PYPSTHBOLFCUNL-CJNGLKHVSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091632999 932511916 /nfs/dbraw/zinc/51/19/16/932511916.db2.gz PYPSTHBOLFCUNL-CJNGLKHVSA-N 2 2 288.395 1.309 20 30 CDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155743496 937670685 /nfs/dbraw/zinc/67/06/85/937670685.db2.gz HGILTIQMBZLSEI-QWHCGFSZSA-N 2 2 276.384 1.048 20 30 CDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155743496 937670686 /nfs/dbraw/zinc/67/06/86/937670686.db2.gz HGILTIQMBZLSEI-QWHCGFSZSA-N 2 2 276.384 1.048 20 30 CDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155743496 937670688 /nfs/dbraw/zinc/67/06/88/937670688.db2.gz HGILTIQMBZLSEI-QWHCGFSZSA-N 2 2 276.384 1.048 20 30 CDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155743496 937670689 /nfs/dbraw/zinc/67/06/89/937670689.db2.gz HGILTIQMBZLSEI-QWHCGFSZSA-N 2 2 276.384 1.048 20 30 CDEDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001120590785 937814915 /nfs/dbraw/zinc/81/49/15/937814915.db2.gz QALWIZQUQABONT-OLZOCXBDSA-N 2 2 253.390 1.219 20 30 CDEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001120590785 937814917 /nfs/dbraw/zinc/81/49/17/937814917.db2.gz QALWIZQUQABONT-OLZOCXBDSA-N 2 2 253.390 1.219 20 30 CDEDLP CCN(c1ncc2c(c1C#N)CCC[NH2+]C2)C1C[NH+](C)C1 ZINC001157453851 938494648 /nfs/dbraw/zinc/49/46/48/938494648.db2.gz LJBKBGARIOJEBZ-UHFFFAOYSA-N 2 2 285.395 1.129 20 30 CDEDLP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653717 938646748 /nfs/dbraw/zinc/64/67/48/938646748.db2.gz KXQGBKQMHBNJGS-CQSZACIVSA-N 2 2 288.395 1.288 20 30 CDEDLP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653717 938646753 /nfs/dbraw/zinc/64/67/53/938646753.db2.gz KXQGBKQMHBNJGS-CQSZACIVSA-N 2 2 288.395 1.288 20 30 CDEDLP N#CC1(c2cc[nH+]c(N[C@H]3COCCC34C[NH2+]C4)c2)CC1 ZINC001163074822 939191631 /nfs/dbraw/zinc/19/16/31/939191631.db2.gz VSMGSNDFYZTSHD-ZDUSSCGKSA-N 2 2 284.363 1.427 20 30 CDEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)cnc1C#N ZINC001163122043 939204861 /nfs/dbraw/zinc/20/48/61/939204861.db2.gz AKSOTBGOHSOVEF-UHFFFAOYSA-N 2 2 295.778 1.280 20 30 CDEDLP Cc1[nH+]c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)ccc1CC#N ZINC001165153254 939520105 /nfs/dbraw/zinc/52/01/05/939520105.db2.gz WQKCLFJFSJGZMT-ZIAGYGMSSA-N 2 2 256.353 1.454 20 30 CDEDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001203764433 939703136 /nfs/dbraw/zinc/70/31/36/939703136.db2.gz GSXUSLABZDDNFQ-IYBDPMFKSA-N 2 2 255.365 1.942 20 30 CDEDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001203764433 939703137 /nfs/dbraw/zinc/70/31/37/939703137.db2.gz GSXUSLABZDDNFQ-IYBDPMFKSA-N 2 2 255.365 1.942 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001203764433 939703138 /nfs/dbraw/zinc/70/31/38/939703138.db2.gz GSXUSLABZDDNFQ-IYBDPMFKSA-N 2 2 255.365 1.942 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001203764433 939703140 /nfs/dbraw/zinc/70/31/40/939703140.db2.gz GSXUSLABZDDNFQ-IYBDPMFKSA-N 2 2 255.365 1.942 20 30 CDEDLP C=CCC[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205433437 939890390 /nfs/dbraw/zinc/89/03/90/939890390.db2.gz VAWVZZHNXBGZNY-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CCC[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205433437 939890393 /nfs/dbraw/zinc/89/03/93/939890393.db2.gz VAWVZZHNXBGZNY-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP N#Cc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1F ZINC001205673857 939915551 /nfs/dbraw/zinc/91/55/51/939915551.db2.gz UXQJUBFRRWCNNX-OAHLLOKOSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1F ZINC001205673857 939915554 /nfs/dbraw/zinc/91/55/54/939915554.db2.gz UXQJUBFRRWCNNX-OAHLLOKOSA-N 2 2 277.343 1.373 20 30 CDEDLP CCOC(=O)C1(C#N)CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208618359 940359259 /nfs/dbraw/zinc/35/92/59/940359259.db2.gz XOHMNXVHAMURLC-AWEZNQCLSA-N 2 2 293.411 1.497 20 30 CDEDLP CCOC(=O)C1(C#N)CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208618359 940359261 /nfs/dbraw/zinc/35/92/61/940359261.db2.gz XOHMNXVHAMURLC-AWEZNQCLSA-N 2 2 293.411 1.497 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837306 940645940 /nfs/dbraw/zinc/64/59/40/940645940.db2.gz PIAKONKJEXDAKZ-CYBMUJFWSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215269065 940869900 /nfs/dbraw/zinc/86/99/00/940869900.db2.gz KCXXBDOLNGFTNX-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001219270394 941325374 /nfs/dbraw/zinc/32/53/74/941325374.db2.gz IBTWKUZBBJDVIP-HNNXBMFYSA-N 2 2 294.358 1.840 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919384 941554566 /nfs/dbraw/zinc/55/45/66/941554566.db2.gz LXINMXBLWYPGLZ-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221919384 941554568 /nfs/dbraw/zinc/55/45/68/941554568.db2.gz LXINMXBLWYPGLZ-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919384 941554572 /nfs/dbraw/zinc/55/45/72/941554572.db2.gz LXINMXBLWYPGLZ-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919384 941554575 /nfs/dbraw/zinc/55/45/75/941554575.db2.gz LXINMXBLWYPGLZ-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222252351 941579234 /nfs/dbraw/zinc/57/92/34/941579234.db2.gz CEJYRUBWGVKYIL-INIZCTEOSA-N 2 2 271.364 1.982 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222252351 941579239 /nfs/dbraw/zinc/57/92/39/941579239.db2.gz CEJYRUBWGVKYIL-INIZCTEOSA-N 2 2 271.364 1.982 20 30 CDEDLP C=C(C)CC[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227715452 942211921 /nfs/dbraw/zinc/21/19/21/942211921.db2.gz XVXZTAXKPWCNEL-UHFFFAOYSA-N 2 2 290.411 1.889 20 30 CDEDLP C=C(C)CC[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227715452 942211928 /nfs/dbraw/zinc/21/19/28/942211928.db2.gz XVXZTAXKPWCNEL-UHFFFAOYSA-N 2 2 290.411 1.889 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001256205374 948236342 /nfs/dbraw/zinc/23/63/42/948236342.db2.gz YQOKWJAPZGDYAB-KRWDZBQOSA-N 2 2 291.439 1.581 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001256205374 948236350 /nfs/dbraw/zinc/23/63/50/948236350.db2.gz YQOKWJAPZGDYAB-KRWDZBQOSA-N 2 2 291.439 1.581 20 30 CDEDLP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246720569 948417832 /nfs/dbraw/zinc/41/78/32/948417832.db2.gz ISYZSWZXXZXPDX-YESZJQIVSA-N 2 2 294.439 1.812 20 30 CDEDLP C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246720569 948417836 /nfs/dbraw/zinc/41/78/36/948417836.db2.gz ISYZSWZXXZXPDX-YESZJQIVSA-N 2 2 294.439 1.812 20 30 CDEDLP C#CC[NH+]1CCN(C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258016069 948686474 /nfs/dbraw/zinc/68/64/74/948686474.db2.gz AFRMFKQJZMZSPJ-UHFFFAOYSA-N 2 2 263.429 1.358 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(C)[nH+]c(C)c2)C1 ZINC001333034364 958029462 /nfs/dbraw/zinc/02/94/62/958029462.db2.gz ZXBIMEUXOVUIDF-AWEZNQCLSA-N 2 2 286.379 1.339 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C)[nH+]c(C)c2)C1 ZINC001333034364 958029472 /nfs/dbraw/zinc/02/94/72/958029472.db2.gz ZXBIMEUXOVUIDF-AWEZNQCLSA-N 2 2 286.379 1.339 20 30 CDEDLP C#C[C@H](CCC)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001338520534 961853086 /nfs/dbraw/zinc/85/30/86/961853086.db2.gz ROCNHQDQNCDQOH-SJORKVTESA-N 2 2 274.408 1.871 20 30 CDEDLP C#C[C@H](CCC)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001338520534 961853101 /nfs/dbraw/zinc/85/31/01/961853101.db2.gz ROCNHQDQNCDQOH-SJORKVTESA-N 2 2 274.408 1.871 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC001340141480 962773476 /nfs/dbraw/zinc/77/34/76/962773476.db2.gz ZRXIEKMGMRISPT-GFCCVEGCSA-N 2 2 250.346 1.073 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC001343594248 964052639 /nfs/dbraw/zinc/05/26/39/964052639.db2.gz RCMJENPCQYQAQK-ZDUSSCGKSA-N 2 2 264.373 1.415 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443328039 965441726 /nfs/dbraw/zinc/44/17/26/965441726.db2.gz KINUBGBEPXBMMX-GFCCVEGCSA-N 2 2 296.802 1.485 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443328039 965441731 /nfs/dbraw/zinc/44/17/31/965441731.db2.gz KINUBGBEPXBMMX-GFCCVEGCSA-N 2 2 296.802 1.485 20 30 CDEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100419570 968291565 /nfs/dbraw/zinc/29/15/65/968291565.db2.gz XRBSREJOGUBKPF-NWINJMCUSA-N 2 2 286.379 1.021 20 30 CDEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100419570 968291576 /nfs/dbraw/zinc/29/15/76/968291576.db2.gz XRBSREJOGUBKPF-NWINJMCUSA-N 2 2 286.379 1.021 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710441 968996025 /nfs/dbraw/zinc/99/60/25/968996025.db2.gz RTBHNGQPJVUQAT-UHFFFAOYSA-N 2 2 262.357 1.013 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221951 1163203069 /nfs/dbraw/zinc/20/30/69/1163203069.db2.gz RAUYSGRMZHCLAX-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221951 1163203078 /nfs/dbraw/zinc/20/30/78/1163203078.db2.gz RAUYSGRMZHCLAX-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132783166 1163477478 /nfs/dbraw/zinc/47/74/78/1163477478.db2.gz ZFTYKJRSVHJAPD-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(C)(C)C#N)c2)CC1 ZINC000601805371 344265158 /nfs/dbraw/zinc/26/51/58/344265158.db2.gz NPTNFIOSXVIFOB-UHFFFAOYSA-N 2 2 287.367 1.322 20 30 CDEDLP CC(C)[C@H](C#N)N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000611431825 346782193 /nfs/dbraw/zinc/78/21/93/346782193.db2.gz CLSMXIDJTKZATD-CVEARBPZSA-N 2 2 278.444 1.636 20 30 CDEDLP CC(C)[C@H](C#N)N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000611431825 346782195 /nfs/dbraw/zinc/78/21/95/346782195.db2.gz CLSMXIDJTKZATD-CVEARBPZSA-N 2 2 278.444 1.636 20 30 CDEDLP CCC[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602586647 350129180 /nfs/dbraw/zinc/12/91/80/350129180.db2.gz LSHYOYLTDMHRQB-UHFFFAOYSA-N 2 2 258.369 1.917 20 30 CDEDLP C[C@H](CC#N)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000068609569 351111356 /nfs/dbraw/zinc/11/13/56/351111356.db2.gz KHVWVGZTYSCGCG-CQSZACIVSA-N 2 2 273.380 1.911 20 30 CDEDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(C#N)n(C)c1 ZINC000290340004 366424182 /nfs/dbraw/zinc/42/41/82/366424182.db2.gz FIOBOKJZLSYPGY-IUODEOHRSA-N 2 2 260.385 1.669 20 30 CDEDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(C#N)n(C)c1 ZINC000290340004 366424191 /nfs/dbraw/zinc/42/41/91/366424191.db2.gz FIOBOKJZLSYPGY-IUODEOHRSA-N 2 2 260.385 1.669 20 30 CDEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000290340004 366424197 /nfs/dbraw/zinc/42/41/97/366424197.db2.gz FIOBOKJZLSYPGY-IUODEOHRSA-N 2 2 260.385 1.669 20 30 CDEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000290340004 366424203 /nfs/dbraw/zinc/42/42/03/366424203.db2.gz FIOBOKJZLSYPGY-IUODEOHRSA-N 2 2 260.385 1.669 20 30 CDEDLP CC[NH+]1CCC([N@H+]2CCCN(CC#CCOC)CC2)CC1 ZINC000643255222 359246375 /nfs/dbraw/zinc/24/63/75/359246375.db2.gz GUGLXMUCXQPFLU-UHFFFAOYSA-N 2 2 293.455 1.128 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)CC(=O)NC)C(C)C ZINC000268847951 359364806 /nfs/dbraw/zinc/36/48/06/359364806.db2.gz VOVOVRGFASUJMD-HUUCEWRRSA-N 2 2 281.444 1.799 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)CCC[NH+](CC)CC)C1=O ZINC000337172680 360009240 /nfs/dbraw/zinc/00/92/40/360009240.db2.gz GRZLBSJHTDKZKU-CQSZACIVSA-N 2 2 267.417 1.437 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)CCC[NH+](CC)CC)C1=O ZINC000337172680 360009242 /nfs/dbraw/zinc/00/92/42/360009242.db2.gz GRZLBSJHTDKZKU-CQSZACIVSA-N 2 2 267.417 1.437 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC[NH+](CC)CC2)C1=O ZINC000337190404 360016405 /nfs/dbraw/zinc/01/64/05/360016405.db2.gz RURMLCMAQIBGID-CQSZACIVSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC[NH+](CC)CC2)C1=O ZINC000337190404 360016408 /nfs/dbraw/zinc/01/64/08/360016408.db2.gz RURMLCMAQIBGID-CQSZACIVSA-N 2 2 265.401 1.189 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000178059211 189088690 /nfs/dbraw/zinc/08/86/90/189088690.db2.gz UWAJZLYZUCADCN-UHFFFAOYSA-N 2 2 296.374 1.296 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCNC(=O)CC1)C(C)C ZINC000634952333 360546151 /nfs/dbraw/zinc/54/61/51/360546151.db2.gz VUOOFRBTEWSYJD-HZPDHXFCSA-N 2 2 293.455 1.943 20 30 CDEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000157416869 360869525 /nfs/dbraw/zinc/86/95/25/360869525.db2.gz VJMWGSYFFCJFDZ-MRXNPFEDSA-N 2 2 294.443 1.457 20 30 CDEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000157416869 360869529 /nfs/dbraw/zinc/86/95/29/360869529.db2.gz VJMWGSYFFCJFDZ-MRXNPFEDSA-N 2 2 294.443 1.457 20 30 CDEDLP CC[C@@](C)(C#N)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375738398 370946629 /nfs/dbraw/zinc/94/66/29/370946629.db2.gz NSHDGOSBIACCGY-BBRMVZONSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[C@@](C)(C#N)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375738398 370946635 /nfs/dbraw/zinc/94/66/35/370946635.db2.gz NSHDGOSBIACCGY-BBRMVZONSA-N 2 2 292.427 1.211 20 30 CDEDLP CCCNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000104154402 374421354 /nfs/dbraw/zinc/42/13/54/374421354.db2.gz GXGSDCMDEXIBHM-UHFFFAOYSA-N 2 2 282.432 1.336 20 30 CDEDLP N#CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000572512508 377397182 /nfs/dbraw/zinc/39/71/82/377397182.db2.gz WHXCPBWESTZJFM-UONOGXRCSA-N 2 2 251.374 1.258 20 30 CDEDLP C=CC[C@H]1[NH+](C[C@H](O)C[N@@H+](C)CCOC)CCCC1(C)C ZINC000571773056 377519742 /nfs/dbraw/zinc/51/97/42/377519742.db2.gz XTEXOFQZMIGYEP-HZPDHXFCSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@H]1[NH+](C[C@H](O)C[N@H+](C)CCOC)CCCC1(C)C ZINC000571773056 377519747 /nfs/dbraw/zinc/51/97/47/377519747.db2.gz XTEXOFQZMIGYEP-HZPDHXFCSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@H]1[N@H+](C[C@H](O)C[NH+](C)CCOC)CCCC1(C)C ZINC000571773056 377519750 /nfs/dbraw/zinc/51/97/50/377519750.db2.gz XTEXOFQZMIGYEP-HZPDHXFCSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@H]1[N@@H+](C[C@H](O)C[NH+](C)CCOC)CCCC1(C)C ZINC000571773056 377519755 /nfs/dbraw/zinc/51/97/55/377519755.db2.gz XTEXOFQZMIGYEP-HZPDHXFCSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370843541 390587725 /nfs/dbraw/zinc/58/77/25/390587725.db2.gz RTEVIVFIAZQUET-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370843541 390587730 /nfs/dbraw/zinc/58/77/30/390587730.db2.gz RTEVIVFIAZQUET-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)NC1CC1 ZINC000262108693 391011786 /nfs/dbraw/zinc/01/17/86/391011786.db2.gz KCLPWURQNXYNNK-LLVKDONJSA-N 2 2 266.414 1.678 20 30 CDEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC#N)[C@H](C)C1 ZINC000411554103 391479555 /nfs/dbraw/zinc/47/95/55/391479555.db2.gz SQHQGLGSNHBMEA-KGLIPLIRSA-N 2 2 253.390 1.627 20 30 CDEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC#N)[C@H](C)C1 ZINC000411554103 391479557 /nfs/dbraw/zinc/47/95/57/391479557.db2.gz SQHQGLGSNHBMEA-KGLIPLIRSA-N 2 2 253.390 1.627 20 30 CDEDLP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000360197662 391646244 /nfs/dbraw/zinc/64/62/44/391646244.db2.gz GIIAGQAKLFKRRL-GXTWGEPZSA-N 2 2 251.374 1.379 20 30 CDEDLP CN1CC[NH+]=C1NCc1ccccc1Cn1cc[nH+]c1 ZINC000262626523 391801866 /nfs/dbraw/zinc/80/18/66/391801866.db2.gz DNKFOWRWFTUZEZ-UHFFFAOYSA-N 2 2 269.352 1.322 20 30 CDEDLP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N(C)C ZINC000262536578 391793831 /nfs/dbraw/zinc/79/38/31/391793831.db2.gz JZYSFVKNJVUGTD-ZDUSSCGKSA-N 2 2 278.400 1.944 20 30 CDEDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(C#N)cc1 ZINC000423550794 392964787 /nfs/dbraw/zinc/96/47/87/392964787.db2.gz FXFLJIWBQPEQFR-LSDHHAIUSA-N 2 2 259.353 1.587 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660660866 413352825 /nfs/dbraw/zinc/35/28/25/413352825.db2.gz AZRCCWJMKDWXSH-GOEBONIOSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660660866 413352833 /nfs/dbraw/zinc/35/28/33/413352833.db2.gz AZRCCWJMKDWXSH-GOEBONIOSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660660866 413352843 /nfs/dbraw/zinc/35/28/43/413352843.db2.gz AZRCCWJMKDWXSH-GOEBONIOSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660660866 413352849 /nfs/dbraw/zinc/35/28/49/413352849.db2.gz AZRCCWJMKDWXSH-GOEBONIOSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000660705820 413395457 /nfs/dbraw/zinc/39/54/57/413395457.db2.gz GAUUKWAIJCMFCB-UHFFFAOYSA-N 2 2 277.372 1.202 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000660705820 413395464 /nfs/dbraw/zinc/39/54/64/413395464.db2.gz GAUUKWAIJCMFCB-UHFFFAOYSA-N 2 2 277.372 1.202 20 30 CDEDLP C=CCOc1ccc(C[NH2+]CC[NH2+]CC)cc1OC ZINC000414831955 263056494 /nfs/dbraw/zinc/05/64/94/263056494.db2.gz QGGWWWNYAYJWMO-UHFFFAOYSA-N 2 2 264.369 1.959 20 30 CDEDLP C=CCN(CC1CCCCC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653090613 423938796 /nfs/dbraw/zinc/93/87/96/423938796.db2.gz VIWNEJVCVLSNDJ-HNNXBMFYSA-N 2 2 281.444 1.860 20 30 CDEDLP C=CCN(Cc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653071598 424209672 /nfs/dbraw/zinc/20/96/72/424209672.db2.gz MCRIEJOPEGKRCA-OAHLLOKOSA-N 2 2 275.396 1.480 20 30 CDEDLP C=CCCn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nn1 ZINC000653570223 424293749 /nfs/dbraw/zinc/29/37/49/424293749.db2.gz GGVGQQPZQDZGOH-ZBFHGGJFSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)nn1 ZINC000653570223 424293756 /nfs/dbraw/zinc/29/37/56/424293756.db2.gz GGVGQQPZQDZGOH-ZBFHGGJFSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nn1 ZINC000653570223 424293765 /nfs/dbraw/zinc/29/37/65/424293765.db2.gz GGVGQQPZQDZGOH-ZBFHGGJFSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nn1 ZINC000653570223 424293772 /nfs/dbraw/zinc/29/37/72/424293772.db2.gz GGVGQQPZQDZGOH-ZBFHGGJFSA-N 2 2 289.427 1.770 20 30 CDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347049837 265123392 /nfs/dbraw/zinc/12/33/92/265123392.db2.gz JKZAMCZUTKSYPJ-AWEZNQCLSA-N 2 2 292.427 1.213 20 30 CDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347049837 265123394 /nfs/dbraw/zinc/12/33/94/265123394.db2.gz JKZAMCZUTKSYPJ-AWEZNQCLSA-N 2 2 292.427 1.213 20 30 CDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347049837 265123397 /nfs/dbraw/zinc/12/33/97/265123397.db2.gz JKZAMCZUTKSYPJ-AWEZNQCLSA-N 2 2 292.427 1.213 20 30 CDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347049837 265123402 /nfs/dbraw/zinc/12/34/02/265123402.db2.gz JKZAMCZUTKSYPJ-AWEZNQCLSA-N 2 2 292.427 1.213 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655713025 424484723 /nfs/dbraw/zinc/48/47/23/424484723.db2.gz UGGCAEQLBMRZFI-QGZVFWFLSA-N 3 2 293.455 1.480 20 30 CDEDLP CCC#C[C@@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000653727599 424550828 /nfs/dbraw/zinc/55/08/28/424550828.db2.gz IYPSGMLBDKUVPG-CQSZACIVSA-N 2 2 252.402 1.613 20 30 CDEDLP C[N@H+](CCCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188311781 329365995 /nfs/dbraw/zinc/36/59/95/329365995.db2.gz JVUZMPVFRPNZIL-KRWDZBQOSA-N 2 2 287.407 1.859 20 30 CDEDLP C[N@@H+](CCCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188311781 329365997 /nfs/dbraw/zinc/36/59/97/329365997.db2.gz JVUZMPVFRPNZIL-KRWDZBQOSA-N 2 2 287.407 1.859 20 30 CDEDLP C[NH+](CCCC#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188311781 329365998 /nfs/dbraw/zinc/36/59/98/329365998.db2.gz JVUZMPVFRPNZIL-KRWDZBQOSA-N 2 2 287.407 1.859 20 30 CDEDLP C[NH+](CCCC#N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188311781 329366000 /nfs/dbraw/zinc/36/60/00/329366000.db2.gz JVUZMPVFRPNZIL-KRWDZBQOSA-N 2 2 287.407 1.859 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000263237741 330050218 /nfs/dbraw/zinc/05/02/18/330050218.db2.gz KEBTWVKMNVUSHC-CHWSQXEVSA-N 2 2 282.432 1.355 20 30 CDEDLP N#CC1(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CCC1 ZINC000527127682 330224553 /nfs/dbraw/zinc/22/45/53/330224553.db2.gz NKSIPIRSRILQCX-UHFFFAOYSA-N 2 2 287.367 1.082 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000490897769 332126721 /nfs/dbraw/zinc/12/67/21/332126721.db2.gz FIPFFJJPFKBITM-UHFFFAOYSA-N 2 2 271.364 1.404 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000491122616 332152829 /nfs/dbraw/zinc/15/28/29/332152829.db2.gz WYJZHDQKCYHVQE-NVXWUHKLSA-N 2 2 285.391 1.161 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000491122616 332152830 /nfs/dbraw/zinc/15/28/30/332152830.db2.gz WYJZHDQKCYHVQE-NVXWUHKLSA-N 2 2 285.391 1.161 20 30 CDEDLP C#C[C@H](C)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491738188 332318069 /nfs/dbraw/zinc/31/80/69/332318069.db2.gz OTCVEEJCHBVQNJ-GJZGRUSLSA-N 2 2 285.391 1.968 20 30 CDEDLP C#C[C@H](C)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491738188 332318070 /nfs/dbraw/zinc/31/80/70/332318070.db2.gz OTCVEEJCHBVQNJ-GJZGRUSLSA-N 2 2 285.391 1.968 20 30 CDEDLP CC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000528727117 333453826 /nfs/dbraw/zinc/45/38/26/333453826.db2.gz PXWOAHSDBOBMQO-HUUCEWRRSA-N 2 2 277.412 1.865 20 30 CDEDLP C=C(C)CC[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001752913331 1161139167 /nfs/dbraw/zinc/13/91/67/1161139167.db2.gz JBMQFWUCBIISJX-LBPRGKRZSA-N 2 2 264.373 1.023 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C(C)(C)C2)CC1 ZINC000759920487 576444048 /nfs/dbraw/zinc/44/40/48/576444048.db2.gz FEOJJFVFBCPYHG-HNNXBMFYSA-N 2 2 291.439 1.132 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761848411 576597756 /nfs/dbraw/zinc/59/77/56/576597756.db2.gz YEPJCAYXJBPFMO-LLVKDONJSA-N 2 2 297.366 1.544 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761848411 576597758 /nfs/dbraw/zinc/59/77/58/576597758.db2.gz YEPJCAYXJBPFMO-LLVKDONJSA-N 2 2 297.366 1.544 20 30 CDEDLP C#CCC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000982142443 613003754 /nfs/dbraw/zinc/00/37/54/613003754.db2.gz CYIOQPNXQLJGFS-AWEZNQCLSA-N 2 2 288.395 1.146 20 30 CDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000982142443 613003755 /nfs/dbraw/zinc/00/37/55/613003755.db2.gz CYIOQPNXQLJGFS-AWEZNQCLSA-N 2 2 288.395 1.146 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000951628258 613010277 /nfs/dbraw/zinc/01/02/77/613010277.db2.gz MKSKPTDJZCLEKQ-JKSUJKDBSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000951628258 613010278 /nfs/dbraw/zinc/01/02/78/613010278.db2.gz MKSKPTDJZCLEKQ-JKSUJKDBSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944445196 613026278 /nfs/dbraw/zinc/02/62/78/613026278.db2.gz NAFXAHBFIKZDBP-OCCSQVGLSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944445196 613026279 /nfs/dbraw/zinc/02/62/79/613026279.db2.gz NAFXAHBFIKZDBP-OCCSQVGLSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000978372238 613309765 /nfs/dbraw/zinc/30/97/65/613309765.db2.gz UQHFPOOIKDLJFV-ZSOGYDGISA-N 2 2 294.358 1.104 20 30 CDEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000978372238 613309767 /nfs/dbraw/zinc/30/97/67/613309767.db2.gz UQHFPOOIKDLJFV-ZSOGYDGISA-N 2 2 294.358 1.104 20 30 CDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000969889117 613482679 /nfs/dbraw/zinc/48/26/79/613482679.db2.gz SWRMCNLFOOYNNF-MRVWCRGKSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000969889117 613482680 /nfs/dbraw/zinc/48/26/80/613482680.db2.gz SWRMCNLFOOYNNF-MRVWCRGKSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433669 613612090 /nfs/dbraw/zinc/61/20/90/613612090.db2.gz SIMFDAMFQINEBK-GFCCVEGCSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433669 613612092 /nfs/dbraw/zinc/61/20/92/613612092.db2.gz SIMFDAMFQINEBK-GFCCVEGCSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942484581 613754330 /nfs/dbraw/zinc/75/43/30/613754330.db2.gz CGDGXKRLNRLNAM-UONOGXRCSA-N 2 2 298.390 1.961 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942484581 613754332 /nfs/dbraw/zinc/75/43/32/613754332.db2.gz CGDGXKRLNRLNAM-UONOGXRCSA-N 2 2 298.390 1.961 20 30 CDEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000960337161 613871016 /nfs/dbraw/zinc/87/10/16/613871016.db2.gz MKKAVMMLVPRCDP-NVXWUHKLSA-N 2 2 296.374 1.441 20 30 CDEDLP N#Cc1cc2c(nc1NCC[NH+]1CCC([NH3+])CC1)CCC2 ZINC000905703489 626932062 /nfs/dbraw/zinc/93/20/62/626932062.db2.gz BKJBAAODWQXUAY-UHFFFAOYSA-N 2 2 285.395 1.277 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001038423529 677824283 /nfs/dbraw/zinc/82/42/83/677824283.db2.gz DEJAMKNOTWYBGH-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001038423529 677824286 /nfs/dbraw/zinc/82/42/86/677824286.db2.gz DEJAMKNOTWYBGH-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038352112 678197552 /nfs/dbraw/zinc/19/75/52/678197552.db2.gz FQBFQUDMULPFNG-QWHCGFSZSA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038352112 678197554 /nfs/dbraw/zinc/19/75/54/678197554.db2.gz FQBFQUDMULPFNG-QWHCGFSZSA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046430218 679676648 /nfs/dbraw/zinc/67/66/48/679676648.db2.gz YVPKCEPRYMNUGN-BBRMVZONSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046430218 679676650 /nfs/dbraw/zinc/67/66/50/679676650.db2.gz YVPKCEPRYMNUGN-BBRMVZONSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036854749 677955468 /nfs/dbraw/zinc/95/54/68/677955468.db2.gz QHONQQNCLYEASU-UONOGXRCSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036854749 677955470 /nfs/dbraw/zinc/95/54/70/677955470.db2.gz QHONQQNCLYEASU-UONOGXRCSA-N 2 2 288.395 1.451 20 30 CDEDLP CCOC(=O)C(C)(C)O[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000835005265 678077373 /nfs/dbraw/zinc/07/73/73/678077373.db2.gz VIEXNIRDBJWCDE-UHFFFAOYSA-N 2 2 279.340 1.840 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2ccccc2n1 ZINC000381414575 678273950 /nfs/dbraw/zinc/27/39/50/678273950.db2.gz QZOFOSGXOSVKRB-UHFFFAOYSA-N 2 2 268.364 1.675 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc2ccccc2n1 ZINC000381414575 678273953 /nfs/dbraw/zinc/27/39/53/678273953.db2.gz QZOFOSGXOSVKRB-UHFFFAOYSA-N 2 2 268.364 1.675 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC000996072246 678280539 /nfs/dbraw/zinc/28/05/39/678280539.db2.gz FQNOPUNQYZLMII-ZDUSSCGKSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038415636 678357090 /nfs/dbraw/zinc/35/70/90/678357090.db2.gz GCEGVTCARXYUNI-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038415636 678357094 /nfs/dbraw/zinc/35/70/94/678357094.db2.gz GCEGVTCARXYUNI-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028642164 678453409 /nfs/dbraw/zinc/45/34/09/678453409.db2.gz PQOSMZUXFQVYHH-ZIAGYGMSSA-N 2 2 288.395 1.070 20 30 CDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028642164 678453410 /nfs/dbraw/zinc/45/34/10/678453410.db2.gz PQOSMZUXFQVYHH-ZIAGYGMSSA-N 2 2 288.395 1.070 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001032664045 678576241 /nfs/dbraw/zinc/57/62/41/678576241.db2.gz OLQNBIDQFATUBJ-JYJNAYRXSA-N 2 2 291.439 1.720 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001032664045 678576243 /nfs/dbraw/zinc/57/62/43/678576243.db2.gz OLQNBIDQFATUBJ-JYJNAYRXSA-N 2 2 291.439 1.720 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001032664045 678576246 /nfs/dbraw/zinc/57/62/46/678576246.db2.gz OLQNBIDQFATUBJ-JYJNAYRXSA-N 2 2 291.439 1.720 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001032664045 678576250 /nfs/dbraw/zinc/57/62/50/678576250.db2.gz OLQNBIDQFATUBJ-JYJNAYRXSA-N 2 2 291.439 1.720 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001044336205 678590851 /nfs/dbraw/zinc/59/08/51/678590851.db2.gz JOZSFYBRUICHHS-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001044336205 678590853 /nfs/dbraw/zinc/59/08/53/678590853.db2.gz JOZSFYBRUICHHS-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000989727466 678684841 /nfs/dbraw/zinc/68/48/41/678684841.db2.gz SQVITJFKWQAIOD-WCQYABFASA-N 2 2 276.384 1.416 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCO1 ZINC000848546158 678784615 /nfs/dbraw/zinc/78/46/15/678784615.db2.gz UCZGBYCKTXKDJB-IKGGRYGDSA-N 2 2 292.423 1.400 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001044333733 678817121 /nfs/dbraw/zinc/81/71/21/678817121.db2.gz XUKXTBAAHIENPO-UHFFFAOYSA-N 2 2 299.418 1.528 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001007520226 678833451 /nfs/dbraw/zinc/83/34/51/678833451.db2.gz ZGXZWDPZXFRQPT-CVEARBPZSA-N 2 2 289.423 1.241 20 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CDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185370006 919579903 /nfs/dbraw/zinc/57/99/03/919579903.db2.gz FKTHNLVTSRYRBV-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078760974 920457422 /nfs/dbraw/zinc/45/74/22/920457422.db2.gz CYRGMWHGTLKGMF-VXGBXAGGSA-N 2 2 274.368 1.155 20 30 CDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754132 922178694 /nfs/dbraw/zinc/17/86/94/922178694.db2.gz FPDTVQSWTKDBPR-MGPQQGTHSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754132 922178704 /nfs/dbraw/zinc/17/87/04/922178704.db2.gz FPDTVQSWTKDBPR-MGPQQGTHSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754132 922178712 /nfs/dbraw/zinc/17/87/12/922178712.db2.gz FPDTVQSWTKDBPR-MGPQQGTHSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754132 922178719 /nfs/dbraw/zinc/17/87/19/922178719.db2.gz FPDTVQSWTKDBPR-MGPQQGTHSA-N 2 2 286.379 1.069 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463792 923696356 /nfs/dbraw/zinc/69/63/56/923696356.db2.gz YKPSKKWQDFJTAX-CQSZACIVSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463792 923696411 /nfs/dbraw/zinc/69/64/11/923696411.db2.gz YKPSKKWQDFJTAX-CQSZACIVSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080344710 924542515 /nfs/dbraw/zinc/54/25/15/924542515.db2.gz LHUXIOPEOMMVQJ-TZMCWYRMSA-N 2 2 291.395 1.577 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080344710 924542519 /nfs/dbraw/zinc/54/25/19/924542519.db2.gz LHUXIOPEOMMVQJ-TZMCWYRMSA-N 2 2 291.395 1.577 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100744087 936932204 /nfs/dbraw/zinc/93/22/04/936932204.db2.gz IRDSRRZCJBJBTG-IYXRBSQSSA-N 2 2 290.411 1.649 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100744087 936932207 /nfs/dbraw/zinc/93/22/07/936932207.db2.gz IRDSRRZCJBJBTG-IYXRBSQSSA-N 2 2 290.411 1.649 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001084455282 925258166 /nfs/dbraw/zinc/25/81/66/925258166.db2.gz OILSBQNAFNKCTR-OWCLPIDISA-N 2 2 289.423 1.027 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001084455282 925258170 /nfs/dbraw/zinc/25/81/70/925258170.db2.gz OILSBQNAFNKCTR-OWCLPIDISA-N 2 2 289.423 1.027 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001084455282 925258176 /nfs/dbraw/zinc/25/81/76/925258176.db2.gz OILSBQNAFNKCTR-OWCLPIDISA-N 2 2 289.423 1.027 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001084455282 925258180 /nfs/dbraw/zinc/25/81/80/925258180.db2.gz OILSBQNAFNKCTR-OWCLPIDISA-N 2 2 289.423 1.027 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085674570 926273152 /nfs/dbraw/zinc/27/31/52/926273152.db2.gz YOPZWIZTXSKULB-KBPBESRZSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085674570 926273161 /nfs/dbraw/zinc/27/31/61/926273161.db2.gz YOPZWIZTXSKULB-KBPBESRZSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085674570 926273171 /nfs/dbraw/zinc/27/31/71/926273171.db2.gz YOPZWIZTXSKULB-KBPBESRZSA-N 2 2 265.401 1.189 20 30 CDEDLP N#Cc1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)cn1 ZINC001155053427 926456234 /nfs/dbraw/zinc/45/62/34/926456234.db2.gz NGOSNYJCLICJDW-UHFFFAOYSA-N 2 2 254.297 1.001 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086404650 927086361 /nfs/dbraw/zinc/08/63/61/927086361.db2.gz JQWFBNPNEIIPHV-MGPQQGTHSA-N 2 2 288.395 1.116 20 30 CDEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134731956 929884930 /nfs/dbraw/zinc/88/49/30/929884930.db2.gz ARWXOCMZZMPPGS-NEPJUHHUSA-N 2 2 284.363 1.683 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135074431 930034628 /nfs/dbraw/zinc/03/46/28/930034628.db2.gz NKMATISIRMWFQN-OLZOCXBDSA-N 2 2 278.400 1.412 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135773817 930406236 /nfs/dbraw/zinc/40/62/36/930406236.db2.gz BHXVAMIEFDHMPI-WDEREUQCSA-N 2 2 250.346 1.011 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153894915 937481402 /nfs/dbraw/zinc/48/14/02/937481402.db2.gz KREMYXXFUQVCBS-MGPQQGTHSA-N 2 2 290.411 1.916 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153894915 937481403 /nfs/dbraw/zinc/48/14/03/937481403.db2.gz KREMYXXFUQVCBS-MGPQQGTHSA-N 2 2 290.411 1.916 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153894915 937481405 /nfs/dbraw/zinc/48/14/05/937481405.db2.gz KREMYXXFUQVCBS-MGPQQGTHSA-N 2 2 290.411 1.916 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153894915 937481407 /nfs/dbraw/zinc/48/14/07/937481407.db2.gz KREMYXXFUQVCBS-MGPQQGTHSA-N 2 2 290.411 1.916 20 30 CDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152344 931714189 /nfs/dbraw/zinc/71/41/89/931714189.db2.gz PAYURDCIUORUMH-AWEZNQCLSA-N 2 2 290.411 1.630 20 30 CDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152344 931714194 /nfs/dbraw/zinc/71/41/94/931714194.db2.gz PAYURDCIUORUMH-AWEZNQCLSA-N 2 2 290.411 1.630 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001091105302 931822761 /nfs/dbraw/zinc/82/27/61/931822761.db2.gz JQWFBNPNEIIPHV-ROKHWSDSSA-N 2 2 288.395 1.116 20 30 CDEDLP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC001122018427 937899389 /nfs/dbraw/zinc/89/93/89/937899389.db2.gz MTIARNJCUMAMJG-OAHLLOKOSA-N 2 2 299.459 1.201 20 30 CDEDLP N#Cc1c[nH]c2cc[nH+]c(N3CC[C@](F)(C[NH3+])C3)c12 ZINC001157818583 938551468 /nfs/dbraw/zinc/55/14/68/938551468.db2.gz SNARPSLZAZQJDM-ZDUSSCGKSA-N 2 2 259.288 1.312 20 30 CDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050084 938578727 /nfs/dbraw/zinc/57/87/27/938578727.db2.gz FWPIJONNDUQVNE-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050084 938578728 /nfs/dbraw/zinc/57/87/28/938578728.db2.gz FWPIJONNDUQVNE-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050084 938578729 /nfs/dbraw/zinc/57/87/29/938578729.db2.gz FWPIJONNDUQVNE-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050084 938578730 /nfs/dbraw/zinc/57/87/30/938578730.db2.gz FWPIJONNDUQVNE-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP N#CCc1ccc[nH+]c1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163271968 939237513 /nfs/dbraw/zinc/23/75/13/939237513.db2.gz UHQGWCJYBOTZLA-BBRMVZONSA-N 2 2 286.379 1.718 20 30 CDEDLP C#CCC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163473338 939274093 /nfs/dbraw/zinc/27/40/93/939274093.db2.gz RZRXHTHPAZUNRR-UHFFFAOYSA-N 2 2 296.374 1.605 20 30 CDEDLP C=CCC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164335504 939457888 /nfs/dbraw/zinc/45/78/88/939457888.db2.gz XJFLJSNGPJXOAS-UHFFFAOYSA-N 2 2 290.411 1.795 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165372849 939552850 /nfs/dbraw/zinc/55/28/50/939552850.db2.gz BLMJZICMKRWMEW-UHFFFAOYSA-N 2 2 276.384 1.404 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165372849 939552851 /nfs/dbraw/zinc/55/28/51/939552851.db2.gz BLMJZICMKRWMEW-UHFFFAOYSA-N 2 2 276.384 1.404 20 30 CDEDLP N#Cc1c[nH]c2cc[nH+]c(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c12 ZINC001165431153 939564269 /nfs/dbraw/zinc/56/42/69/939564269.db2.gz CZKHHXWQULBXBR-PWSUYJOCSA-N 2 2 299.353 1.948 20 30 CDEDLP C#CCC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205805263 939938108 /nfs/dbraw/zinc/93/81/08/939938108.db2.gz MIHXBMMTMSQPDR-UHFFFAOYSA-N 2 2 288.395 1.125 20 30 CDEDLP Cc1coc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c1C#N ZINC001218768250 941269064 /nfs/dbraw/zinc/26/90/64/941269064.db2.gz IMVIZVFCOJSINV-CYBMUJFWSA-N 2 2 284.319 1.671 20 30 CDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222082701 941560491 /nfs/dbraw/zinc/56/04/91/941560491.db2.gz XEYCCSYPFDYUKW-AWEZNQCLSA-N 2 2 276.384 1.430 20 30 CDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222092358 941563772 /nfs/dbraw/zinc/56/37/72/941563772.db2.gz PNQJNOGQDACFCM-HNNXBMFYSA-N 2 2 288.395 1.267 20 30 CDEDLP N#Cc1ccnc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001232475884 943291029 /nfs/dbraw/zinc/29/10/29/943291029.db2.gz UNKIUSSSZSUMPG-UHFFFAOYSA-N 2 2 279.347 1.670 20 30 CDEDLP N#CCCCC[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001277951698 944188980 /nfs/dbraw/zinc/18/89/80/944188980.db2.gz NFMFODROPYPKSN-JKSUJKDBSA-N 2 2 287.411 1.583 20 30 CDEDLP N#CCCCC[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001277951698 944188982 /nfs/dbraw/zinc/18/89/82/944188982.db2.gz NFMFODROPYPKSN-JKSUJKDBSA-N 2 2 287.411 1.583 20 30 CDEDLP N#Cc1cc(F)cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235995530 944363176 /nfs/dbraw/zinc/36/31/76/944363176.db2.gz TYXFVMWQWOATIM-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP N#Cc1cc(F)cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235995530 944363181 /nfs/dbraw/zinc/36/31/81/944363181.db2.gz TYXFVMWQWOATIM-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP C=CCCCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246017206 947893463 /nfs/dbraw/zinc/89/34/63/947893463.db2.gz XJKPIFRFCYXVNS-CABCVRRESA-N 2 2 269.433 1.025 20 30 CDEDLP C#CCOC[C@@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001251854429 950873826 /nfs/dbraw/zinc/87/38/26/950873826.db2.gz CNXHYCQNSJJQGU-KRWDZBQOSA-N 2 2 299.374 1.315 20 30 CDEDLP C#CCOC[C@@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001251854429 950873840 /nfs/dbraw/zinc/87/38/40/950873840.db2.gz CNXHYCQNSJJQGU-KRWDZBQOSA-N 2 2 299.374 1.315 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001366650627 957081191 /nfs/dbraw/zinc/08/11/91/957081191.db2.gz BTCHTXPDEKMJOD-CYBMUJFWSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001366650627 957081196 /nfs/dbraw/zinc/08/11/96/957081196.db2.gz BTCHTXPDEKMJOD-CYBMUJFWSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001370954439 960241390 /nfs/dbraw/zinc/24/13/90/960241390.db2.gz UQSBFZSTNUSMCW-ZDUSSCGKSA-N 2 2 296.802 1.675 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC001343594246 964054521 /nfs/dbraw/zinc/05/45/21/964054521.db2.gz RCMJENPCQYQAQK-CYBMUJFWSA-N 2 2 264.373 1.415 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001444008004 965705612 /nfs/dbraw/zinc/70/56/12/965705612.db2.gz GWWVFMLACPAPOQ-JTQLQIEISA-N 2 2 270.764 1.189 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405875566 975919808 /nfs/dbraw/zinc/91/98/08/975919808.db2.gz VWJOHZNBDVEVGK-SNVBAGLBSA-N 2 2 270.764 1.141 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001390603080 976384786 /nfs/dbraw/zinc/38/47/86/976384786.db2.gz HKRBKSNPHINSFY-LBPRGKRZSA-N 2 2 296.802 1.451 20 30 CDEDLP CC(C)(C#N)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000593032185 342755406 /nfs/dbraw/zinc/75/54/06/342755406.db2.gz KUBOGICBWAMKGQ-UHFFFAOYSA-N 2 2 279.428 1.753 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CC)CC1 ZINC000081643196 342372855 /nfs/dbraw/zinc/37/28/55/342372855.db2.gz OVUBCPZDLXEMEZ-OAHLLOKOSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000081643196 342372856 /nfs/dbraw/zinc/37/28/56/342372856.db2.gz OVUBCPZDLXEMEZ-OAHLLOKOSA-N 2 2 277.412 1.028 20 30 CDEDLP C[NH+]1CCN(c2ccc(NCc3ccc(C#N)o3)[nH+]c2)CC1 ZINC000131507242 136389231 /nfs/dbraw/zinc/38/92/31/136389231.db2.gz GCECTBSFJLJMRG-UHFFFAOYSA-N 2 2 297.362 1.910 20 30 CDEDLP C[NH+](C)[C@]1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CCSC1 ZINC000598724944 343885780 /nfs/dbraw/zinc/88/57/80/343885780.db2.gz MQKARMJHEWTLSF-JSGCOSHPSA-N 2 2 285.457 1.314 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCn1cc[nH+]c1 ZINC000602504232 344456743 /nfs/dbraw/zinc/45/67/43/344456743.db2.gz NZSKQEKCGFFPSB-AWEZNQCLSA-N 2 2 276.384 1.962 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[NH+]1CCC(O)CC1 ZINC000602680882 344528561 /nfs/dbraw/zinc/52/85/61/344528561.db2.gz MGODZCIDOQKIDT-AWEZNQCLSA-N 2 2 295.427 1.132 20 30 CDEDLP C[N@H+](CCCCC(C)(C)C#N)CC(=O)N1CC[NH+](C)CC1 ZINC000602989386 344681680 /nfs/dbraw/zinc/68/16/80/344681680.db2.gz NPGPILWRZSZAMB-UHFFFAOYSA-N 2 2 294.443 1.412 20 30 CDEDLP C[N@@H+](CCCCC(C)(C)C#N)CC(=O)N1CC[NH+](C)CC1 ZINC000602989386 344681682 /nfs/dbraw/zinc/68/16/82/344681682.db2.gz NPGPILWRZSZAMB-UHFFFAOYSA-N 2 2 294.443 1.412 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602843369 344622697 /nfs/dbraw/zinc/62/26/97/344622697.db2.gz UYNLBMRXGIZHQV-DLBZAZTESA-N 2 2 287.407 1.905 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602843369 344622698 /nfs/dbraw/zinc/62/26/98/344622698.db2.gz UYNLBMRXGIZHQV-DLBZAZTESA-N 2 2 287.407 1.905 20 30 CDEDLP CCc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+](C)CCC#N ZINC000414109692 362921292 /nfs/dbraw/zinc/92/12/92/362921292.db2.gz VDKRDBWQZKWNHI-CYBMUJFWSA-N 2 2 286.379 1.805 20 30 CDEDLP CCc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+](C)CCC#N ZINC000414109692 362921305 /nfs/dbraw/zinc/92/13/05/362921305.db2.gz VDKRDBWQZKWNHI-CYBMUJFWSA-N 2 2 286.379 1.805 20 30 CDEDLP CC[NH+](CC)[C@H](CNC(NC)=[NH+]C)c1ccco1 ZINC000264108304 362969099 /nfs/dbraw/zinc/96/90/99/362969099.db2.gz PYCUSIPWJXZUPR-LLVKDONJSA-N 2 2 252.362 1.457 20 30 CDEDLP CCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264109256 362969737 /nfs/dbraw/zinc/96/97/37/362969737.db2.gz OOIGYBPYCLPYLS-LBPRGKRZSA-N 2 2 264.373 1.731 20 30 CDEDLP CCN(CC)C(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000264128624 362974564 /nfs/dbraw/zinc/97/45/64/362974564.db2.gz SULXVGQUVFIRGO-OAHLLOKOSA-N 2 2 292.427 1.954 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264153402 362980722 /nfs/dbraw/zinc/98/07/22/362980722.db2.gz ZYGDSESZNOSKRZ-ZDUSSCGKSA-N 2 2 264.348 1.519 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000336253152 363230463 /nfs/dbraw/zinc/23/04/63/363230463.db2.gz RIZMNFTUXGYOTC-HOCLYGCPSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000336253152 363230467 /nfs/dbraw/zinc/23/04/67/363230467.db2.gz RIZMNFTUXGYOTC-HOCLYGCPSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000336253152 363230471 /nfs/dbraw/zinc/23/04/71/363230471.db2.gz RIZMNFTUXGYOTC-HOCLYGCPSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000336253152 363230473 /nfs/dbraw/zinc/23/04/73/363230473.db2.gz RIZMNFTUXGYOTC-HOCLYGCPSA-N 2 2 277.412 1.191 20 30 CDEDLP C#CC[N@H+](C)CCCNc1nc[nH+]c(N)c1Cl ZINC000292746950 198397683 /nfs/dbraw/zinc/39/76/83/198397683.db2.gz JFRWOFPGDIGEBL-UHFFFAOYSA-N 2 2 253.737 1.079 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1nc[nH+]c(N)c1Cl ZINC000292746950 198397685 /nfs/dbraw/zinc/39/76/85/198397685.db2.gz JFRWOFPGDIGEBL-UHFFFAOYSA-N 2 2 253.737 1.079 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1[nH+]cnc(N)c1Cl ZINC000292746950 198397691 /nfs/dbraw/zinc/39/76/91/198397691.db2.gz JFRWOFPGDIGEBL-UHFFFAOYSA-N 2 2 253.737 1.079 20 30 CDEDLP C[NH+](C)C1CC[NH+](CCNc2cccnc2C#N)CC1 ZINC000290807686 358629511 /nfs/dbraw/zinc/62/95/11/358629511.db2.gz QSXYDZBBMKHIPU-UHFFFAOYSA-N 2 2 273.384 1.391 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC[NH+](C(C)C)CC2)C1=O ZINC000337143620 360005786 /nfs/dbraw/zinc/00/57/86/360005786.db2.gz VRTMZSLKZJJPHV-OAHLLOKOSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC[NH+](C(C)C)CC2)C1=O ZINC000337143620 360005788 /nfs/dbraw/zinc/00/57/88/360005788.db2.gz VRTMZSLKZJJPHV-OAHLLOKOSA-N 2 2 279.428 1.578 20 30 CDEDLP CN(C)c1[nH+]cc(C[NH2+]Cc2cccc(C#N)c2)n1C ZINC000070143624 361634690 /nfs/dbraw/zinc/63/46/90/361634690.db2.gz PPRVOJRXSPXHEV-UHFFFAOYSA-N 2 2 269.352 1.648 20 30 CDEDLP N#CC1(C[C@@H](O)C[N@@H+](CC[NH3+])Cc2ccccc2)CCC1 ZINC001580038638 1172330911 /nfs/dbraw/zinc/33/09/11/1172330911.db2.gz PMGAUEAKLHOCOJ-MRXNPFEDSA-N 2 2 287.407 1.892 20 30 CDEDLP N#CC1(C[C@@H](O)C[N@H+](CC[NH3+])Cc2ccccc2)CCC1 ZINC001580038638 1172330919 /nfs/dbraw/zinc/33/09/19/1172330919.db2.gz PMGAUEAKLHOCOJ-MRXNPFEDSA-N 2 2 287.407 1.892 20 30 CDEDLP C[C@@H](C[NH2+]Cc1cc(C#N)cs1)C[NH+]1CCOCC1 ZINC000177704510 372109916 /nfs/dbraw/zinc/10/99/16/372109916.db2.gz KUTYGOKMRYVWOU-LBPRGKRZSA-N 2 2 279.409 1.678 20 30 CDEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431935 284348472 /nfs/dbraw/zinc/34/84/72/284348472.db2.gz JKLWZYHQCRFGHZ-KBPBESRZSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431935 284348473 /nfs/dbraw/zinc/34/84/73/284348473.db2.gz JKLWZYHQCRFGHZ-KBPBESRZSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431935 284348474 /nfs/dbraw/zinc/34/84/74/284348474.db2.gz JKLWZYHQCRFGHZ-KBPBESRZSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431935 284348475 /nfs/dbraw/zinc/34/84/75/284348475.db2.gz JKLWZYHQCRFGHZ-KBPBESRZSA-N 2 2 292.427 1.211 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246936028 377016619 /nfs/dbraw/zinc/01/66/19/377016619.db2.gz NLYPOKSTMSQWQE-HOTGVXAUSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246936028 377016626 /nfs/dbraw/zinc/01/66/26/377016626.db2.gz NLYPOKSTMSQWQE-HOTGVXAUSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246936028 377016629 /nfs/dbraw/zinc/01/66/29/377016629.db2.gz NLYPOKSTMSQWQE-HOTGVXAUSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246936028 377016636 /nfs/dbraw/zinc/01/66/36/377016636.db2.gz NLYPOKSTMSQWQE-HOTGVXAUSA-N 2 2 293.455 1.849 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC000266091580 190230082 /nfs/dbraw/zinc/23/00/82/190230082.db2.gz MPTKTTSKWPFAJX-UHFFFAOYSA-N 2 2 282.347 1.618 20 30 CDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442795857 224485317 /nfs/dbraw/zinc/48/53/17/224485317.db2.gz SDSLJRUHLGVGRL-KKUMJFAQSA-N 2 2 292.427 1.211 20 30 CDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442795857 224485319 /nfs/dbraw/zinc/48/53/19/224485319.db2.gz SDSLJRUHLGVGRL-KKUMJFAQSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@H](CN1CC[NH+](C)CC1)/[NH+]=C/c1ccccc1O ZINC000106586411 390549008 /nfs/dbraw/zinc/54/90/08/390549008.db2.gz GFXZQVNAROROMN-KWWJGWKXSA-N 2 2 261.369 1.447 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158693721 390935254 /nfs/dbraw/zinc/93/52/54/390935254.db2.gz OYUIAXZFAMCBOE-CABCVRRESA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158693721 390935255 /nfs/dbraw/zinc/93/52/55/390935255.db2.gz OYUIAXZFAMCBOE-CABCVRRESA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158693721 390935256 /nfs/dbraw/zinc/93/52/56/390935256.db2.gz OYUIAXZFAMCBOE-CABCVRRESA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158693721 390935257 /nfs/dbraw/zinc/93/52/57/390935257.db2.gz OYUIAXZFAMCBOE-CABCVRRESA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000411255197 391418029 /nfs/dbraw/zinc/41/80/29/391418029.db2.gz GMDKYDYTEIMYKG-HUUCEWRRSA-N 2 2 265.401 1.723 20 30 CDEDLP C[C@H](CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000411255197 391418030 /nfs/dbraw/zinc/41/80/30/391418030.db2.gz GMDKYDYTEIMYKG-HUUCEWRRSA-N 2 2 265.401 1.723 20 30 CDEDLP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[N@@H+]1CCc2sccc2C1 ZINC000262674159 391809971 /nfs/dbraw/zinc/80/99/71/391809971.db2.gz SKVBKIGIMGGCAH-MNOVXSKESA-N 2 2 278.425 1.432 20 30 CDEDLP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[N@H+]1CCc2sccc2C1 ZINC000262674159 391809976 /nfs/dbraw/zinc/80/99/76/391809976.db2.gz SKVBKIGIMGGCAH-MNOVXSKESA-N 2 2 278.425 1.432 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000262016889 262760896 /nfs/dbraw/zinc/76/08/96/262760896.db2.gz WJHFVQPHPNQSAZ-GFCCVEGCSA-N 2 2 292.452 1.975 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000262016889 262760897 /nfs/dbraw/zinc/76/08/97/262760897.db2.gz WJHFVQPHPNQSAZ-GFCCVEGCSA-N 2 2 292.452 1.975 20 30 CDEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCOC)c1ccco1 ZINC000264077132 262865573 /nfs/dbraw/zinc/86/55/73/262865573.db2.gz GAOUEMTXKZQDMM-LBPRGKRZSA-N 2 2 282.388 1.213 20 30 CDEDLP C[NH+]=C(NCC(F)F)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262026548 328144060 /nfs/dbraw/zinc/14/40/60/328144060.db2.gz ZVGYFHNPIYOKJA-MNOVXSKESA-N 2 2 285.342 1.607 20 30 CDEDLP COc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1C#N ZINC000579669866 324246426 /nfs/dbraw/zinc/24/64/26/324246426.db2.gz STZYFOKLVOTPDU-CQSZACIVSA-N 2 2 282.347 1.868 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173922046 329151056 /nfs/dbraw/zinc/15/10/56/329151056.db2.gz GXFQBYLLEJSMLZ-HNNXBMFYSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173922046 329151058 /nfs/dbraw/zinc/15/10/58/329151058.db2.gz GXFQBYLLEJSMLZ-HNNXBMFYSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173922046 329151060 /nfs/dbraw/zinc/15/10/60/329151060.db2.gz GXFQBYLLEJSMLZ-HNNXBMFYSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173922046 329151062 /nfs/dbraw/zinc/15/10/62/329151062.db2.gz GXFQBYLLEJSMLZ-HNNXBMFYSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000449518208 330933117 /nfs/dbraw/zinc/93/31/17/330933117.db2.gz IQKWQEXSBPMLEE-CABCVRRESA-N 2 2 296.411 1.337 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000491507545 332225506 /nfs/dbraw/zinc/22/55/06/332225506.db2.gz VVRARLRNTBKEDO-RHSMWYFYSA-N 2 2 287.407 1.407 20 30 CDEDLP C#C[C@@H](CCC)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000491820924 332370448 /nfs/dbraw/zinc/37/04/48/332370448.db2.gz ZDJAVRAUPUKZDJ-AWEZNQCLSA-N 2 2 294.443 1.114 20 30 CDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](C)C#N)c2cc1C ZINC000517732876 333106874 /nfs/dbraw/zinc/10/68/74/333106874.db2.gz QWOKFIBWPGAFRW-SMDDNHRTSA-N 2 2 286.379 1.763 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668369059 482397104 /nfs/dbraw/zinc/39/71/04/482397104.db2.gz NJJAQWBLSHUENC-LBPRGKRZSA-N 2 2 288.395 1.281 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668369059 482397108 /nfs/dbraw/zinc/39/71/08/482397108.db2.gz NJJAQWBLSHUENC-LBPRGKRZSA-N 2 2 288.395 1.281 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001752840680 1160633798 /nfs/dbraw/zinc/63/37/98/1160633798.db2.gz LQWZCTKVSIYTPR-TZMCWYRMSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001752840680 1160633802 /nfs/dbraw/zinc/63/38/02/1160633802.db2.gz LQWZCTKVSIYTPR-TZMCWYRMSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C[C@@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000353566506 527440333 /nfs/dbraw/zinc/44/03/33/527440333.db2.gz DRGYYJKCMRGNBL-JTQLQIEISA-N 2 2 266.307 1.540 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000765192353 575996456 /nfs/dbraw/zinc/99/64/56/575996456.db2.gz IGFNELWWVJVYJT-HOTGVXAUSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000765192353 575996460 /nfs/dbraw/zinc/99/64/60/575996460.db2.gz IGFNELWWVJVYJT-HOTGVXAUSA-N 2 2 289.423 1.217 20 30 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C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=NC1=[NH+]CCN1 ZINC000841661292 679806362 /nfs/dbraw/zinc/80/63/62/679806362.db2.gz NRQISDFLBJYTIB-GFCCVEGCSA-N 2 2 271.368 1.043 20 30 CDEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)N1CCSCC1 ZINC000303977112 679809698 /nfs/dbraw/zinc/80/96/98/679809698.db2.gz KYSSIRUSAVBTFO-UHFFFAOYSA-N 2 2 293.440 1.637 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000883131336 681624359 /nfs/dbraw/zinc/62/43/59/681624359.db2.gz WQYHRBPBYCIWKQ-UHFFFAOYSA-N 3 2 297.406 1.620 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000883131336 681624364 /nfs/dbraw/zinc/62/43/64/681624364.db2.gz WQYHRBPBYCIWKQ-UHFFFAOYSA-N 3 2 297.406 1.620 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC000986601501 681829767 /nfs/dbraw/zinc/82/97/67/681829767.db2.gz LCBVBTWEERSTHW-OLZOCXBDSA-N 2 2 276.384 1.118 20 30 CDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001017942642 681850055 /nfs/dbraw/zinc/85/00/55/681850055.db2.gz 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CNC(NC[C@H](c1ccc(SC)cc1)[NH+](C)C)=[NH+]C ZINC000849032250 682191877 /nfs/dbraw/zinc/19/18/77/682191877.db2.gz GDHIGELIHIJIMG-CYBMUJFWSA-N 2 2 280.441 1.806 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(C(=O)OCC)s1 ZINC000711453401 682452462 /nfs/dbraw/zinc/45/24/62/682452462.db2.gz UUDZGAAJIYCGJY-UHFFFAOYSA-N 2 2 295.408 1.365 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(C(=O)OCC)s1 ZINC000711453401 682452465 /nfs/dbraw/zinc/45/24/65/682452465.db2.gz UUDZGAAJIYCGJY-UHFFFAOYSA-N 2 2 295.408 1.365 20 30 CDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999010493 682464985 /nfs/dbraw/zinc/46/49/85/682464985.db2.gz KCXWSLUIJQUOLT-HSBZDZAISA-N 2 2 288.395 1.211 20 30 CDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001032493054 682474909 /nfs/dbraw/zinc/47/49/09/682474909.db2.gz JPMMOFULBKRHSY-JYJNAYRXSA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001032493054 682474926 /nfs/dbraw/zinc/47/49/26/682474926.db2.gz JPMMOFULBKRHSY-JYJNAYRXSA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032493054 682474947 /nfs/dbraw/zinc/47/49/47/682474947.db2.gz JPMMOFULBKRHSY-JYJNAYRXSA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032493054 682474963 /nfs/dbraw/zinc/47/49/63/682474963.db2.gz JPMMOFULBKRHSY-JYJNAYRXSA-N 2 2 289.423 1.025 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001044181848 682505785 /nfs/dbraw/zinc/50/57/85/682505785.db2.gz CTWVHLPGGVGVOO-LSDHHAIUSA-N 2 2 293.455 1.826 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015426335 682511174 /nfs/dbraw/zinc/51/11/74/682511174.db2.gz KHUJUFCHRZFSGL-OAHLLOKOSA-N 2 2 296.374 1.862 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015426335 682511186 /nfs/dbraw/zinc/51/11/86/682511186.db2.gz KHUJUFCHRZFSGL-OAHLLOKOSA-N 2 2 296.374 1.862 20 30 CDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000923557364 682631969 /nfs/dbraw/zinc/63/19/69/682631969.db2.gz MBFYEEJLTHUFBP-UONOGXRCSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000923557364 682631972 /nfs/dbraw/zinc/63/19/72/682631972.db2.gz MBFYEEJLTHUFBP-UONOGXRCSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000923557364 682631974 /nfs/dbraw/zinc/63/19/74/682631974.db2.gz MBFYEEJLTHUFBP-UONOGXRCSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000923557364 682631977 /nfs/dbraw/zinc/63/19/77/682631977.db2.gz MBFYEEJLTHUFBP-UONOGXRCSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(CCOC)s1 ZINC000883131177 682639821 /nfs/dbraw/zinc/63/98/21/682639821.db2.gz LRJKEASILDOPHC-UHFFFAOYSA-N 2 2 281.425 1.377 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(CCOC)s1 ZINC000883131177 682639831 /nfs/dbraw/zinc/63/98/31/682639831.db2.gz LRJKEASILDOPHC-UHFFFAOYSA-N 2 2 281.425 1.377 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028539234 682662847 /nfs/dbraw/zinc/66/28/47/682662847.db2.gz REBCNJPARLPQOR-AWEZNQCLSA-N 2 2 296.374 1.328 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028539234 682662854 /nfs/dbraw/zinc/66/28/54/682662854.db2.gz REBCNJPARLPQOR-AWEZNQCLSA-N 2 2 296.374 1.328 20 30 CDEDLP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000886581258 682769073 /nfs/dbraw/zinc/76/90/73/682769073.db2.gz PQUWKNUOSAIDRA-UHFFFAOYSA-N 2 2 288.395 1.219 20 30 CDEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054205737 682822247 /nfs/dbraw/zinc/82/22/47/682822247.db2.gz WJKIZYDPBFCXDC-MRXNPFEDSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054205737 682822248 /nfs/dbraw/zinc/82/22/48/682822248.db2.gz WJKIZYDPBFCXDC-MRXNPFEDSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001019061355 683508685 /nfs/dbraw/zinc/50/86/85/683508685.db2.gz ZEKXIKWMOMSHSE-OLZOCXBDSA-N 2 2 288.395 1.200 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001019061355 683508688 /nfs/dbraw/zinc/50/86/88/683508688.db2.gz ZEKXIKWMOMSHSE-OLZOCXBDSA-N 2 2 288.395 1.200 20 30 CDEDLP CN(C)C(NCc1ccccc1)=[NH+]CCCn1cc[nH+]c1 ZINC000303723773 683520888 /nfs/dbraw/zinc/52/08/88/683520888.db2.gz ZBASRUUYDRWUFB-UHFFFAOYSA-N 2 2 285.395 1.981 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017791566 683536166 /nfs/dbraw/zinc/53/61/66/683536166.db2.gz YRESLWLEKVCKEL-GASCZTMLSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017791566 683536172 /nfs/dbraw/zinc/53/61/72/683536172.db2.gz YRESLWLEKVCKEL-GASCZTMLSA-N 2 2 291.439 1.722 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792085 683639332 /nfs/dbraw/zinc/63/93/32/683639332.db2.gz IHSWVNASGQNZSJ-OKILXGFUSA-N 2 2 288.395 1.309 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792085 683639340 /nfs/dbraw/zinc/63/93/40/683639340.db2.gz IHSWVNASGQNZSJ-OKILXGFUSA-N 2 2 288.395 1.309 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038777338 683737321 /nfs/dbraw/zinc/73/73/21/683737321.db2.gz ZXRLUFDWKYXJFK-HUUCEWRRSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038777338 683737325 /nfs/dbraw/zinc/73/73/25/683737325.db2.gz ZXRLUFDWKYXJFK-HUUCEWRRSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038777338 683737334 /nfs/dbraw/zinc/73/73/34/683737334.db2.gz ZXRLUFDWKYXJFK-HUUCEWRRSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038777338 683737341 /nfs/dbraw/zinc/73/73/41/683737341.db2.gz ZXRLUFDWKYXJFK-HUUCEWRRSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028631198 683847100 /nfs/dbraw/zinc/84/71/00/683847100.db2.gz AZTYSEOGSXXQRX-ZDUSSCGKSA-N 2 2 296.374 1.638 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028631198 683847102 /nfs/dbraw/zinc/84/71/02/683847102.db2.gz AZTYSEOGSXXQRX-ZDUSSCGKSA-N 2 2 296.374 1.638 20 30 CDEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016898164 684054886 /nfs/dbraw/zinc/05/48/86/684054886.db2.gz KXNRIFWTLGHUFL-LBPRGKRZSA-N 2 2 274.368 1.109 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855319 684072324 /nfs/dbraw/zinc/07/23/24/684072324.db2.gz HNNYEXWKJLZTQJ-MRXNPFEDSA-N 2 2 288.395 1.384 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855319 684072328 /nfs/dbraw/zinc/07/23/28/684072328.db2.gz HNNYEXWKJLZTQJ-MRXNPFEDSA-N 2 2 288.395 1.384 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033415566 684162037 /nfs/dbraw/zinc/16/20/37/684162037.db2.gz JJNCOYOCBMNRGJ-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033415566 684162044 /nfs/dbraw/zinc/16/20/44/684162044.db2.gz JJNCOYOCBMNRGJ-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033415566 684162052 /nfs/dbraw/zinc/16/20/52/684162052.db2.gz JJNCOYOCBMNRGJ-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033415566 684162060 /nfs/dbraw/zinc/16/20/60/684162060.db2.gz JJNCOYOCBMNRGJ-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP CNC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183887516 684188995 /nfs/dbraw/zinc/18/89/95/684188995.db2.gz OXZBKHUOOFOXGV-LLVKDONJSA-N 2 2 288.317 1.842 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000883131077 684278053 /nfs/dbraw/zinc/27/80/53/684278053.db2.gz FKAOBQNBUDQRBI-UHFFFAOYSA-N 2 2 274.412 1.732 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000883131077 684278061 /nfs/dbraw/zinc/27/80/61/684278061.db2.gz FKAOBQNBUDQRBI-UHFFFAOYSA-N 2 2 274.412 1.732 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132274014 1163225175 /nfs/dbraw/zinc/22/51/75/1163225175.db2.gz NCFXLOGKUGXXPO-CHWSQXEVSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132274014 1163225179 /nfs/dbraw/zinc/22/51/79/1163225179.db2.gz NCFXLOGKUGXXPO-CHWSQXEVSA-N 2 2 287.835 1.660 20 30 CDEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135557941 1164155567 /nfs/dbraw/zinc/15/55/67/1164155567.db2.gz VNXMKDPFRNPMOG-STQMWFEESA-N 2 2 278.400 1.791 20 30 CDEDLP Cc1ccc(CC#N)c(NCc2nnc3n2CCC[NH2+]C3)[nH+]1 ZINC001155429478 1167171685 /nfs/dbraw/zinc/17/16/85/1167171685.db2.gz LNDBHNKSZUCLGY-UHFFFAOYSA-N 2 2 297.366 1.153 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752998974 1184988253 /nfs/dbraw/zinc/98/82/53/1184988253.db2.gz PYTVROZCJMMEAK-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752998974 1184988256 /nfs/dbraw/zinc/98/82/56/1184988256.db2.gz PYTVROZCJMMEAK-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753705198 1185309327 /nfs/dbraw/zinc/30/93/27/1185309327.db2.gz SWXAMNOEMSGAMF-CQSZACIVSA-N 2 2 296.374 1.556 20 30 CDEDLP C=CC[N@@H+](C)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001753874545 1185377390 /nfs/dbraw/zinc/37/73/90/1185377390.db2.gz HOTKZOIQZLUZNC-UHFFFAOYSA-N 2 2 264.373 1.264 20 30 CDEDLP C=CC[N@H+](C)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001753874545 1185377397 /nfs/dbraw/zinc/37/73/97/1185377397.db2.gz HOTKZOIQZLUZNC-UHFFFAOYSA-N 2 2 264.373 1.264 20 30 CDEDLP C=C(C)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001754003706 1185424409 /nfs/dbraw/zinc/42/44/09/1185424409.db2.gz MDAFPGXLRWZGHT-NSHDSACASA-N 2 2 250.346 1.013 20 30 CDEDLP CC#CC[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755592452 1186005059 /nfs/dbraw/zinc/00/50/59/1186005059.db2.gz FKOJXUQXXRKZGY-LBPRGKRZSA-N 2 2 284.363 1.636 20 30 CDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881674 913821195 /nfs/dbraw/zinc/82/11/95/913821195.db2.gz TXXVUKNZDBBAND-GFCCVEGCSA-N 2 2 264.373 1.403 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167428233 895638687 /nfs/dbraw/zinc/63/86/87/895638687.db2.gz IJPOBYZBQOBSPY-AWEZNQCLSA-N 2 2 278.400 1.896 20 30 CDEDLP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441496 905699900 /nfs/dbraw/zinc/69/99/00/905699900.db2.gz AGHFXCOALHLTSV-KGLIPLIRSA-N 2 2 288.395 1.545 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219802 906448508 /nfs/dbraw/zinc/44/85/08/906448508.db2.gz WTWUZOKAOVHNER-CABCVRRESA-N 2 2 288.395 1.240 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219802 906448518 /nfs/dbraw/zinc/44/85/18/906448518.db2.gz WTWUZOKAOVHNER-CABCVRRESA-N 2 2 288.395 1.240 20 30 CDEDLP CC#CC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001203337003 910993844 /nfs/dbraw/zinc/99/38/44/910993844.db2.gz CTTZZIGKPWGNLM-UHFFFAOYSA-N 2 2 288.395 1.291 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186222255 919928079 /nfs/dbraw/zinc/92/80/79/919928079.db2.gz XEVWOHDVOUSEGS-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186222255 919928088 /nfs/dbraw/zinc/92/80/88/919928088.db2.gz XEVWOHDVOUSEGS-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967379 922667167 /nfs/dbraw/zinc/66/71/67/922667167.db2.gz OIYGKRITCSJSQS-GFCCVEGCSA-N 2 2 264.373 1.403 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967379 922667172 /nfs/dbraw/zinc/66/71/72/922667172.db2.gz OIYGKRITCSJSQS-GFCCVEGCSA-N 2 2 264.373 1.403 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099183746 936781598 /nfs/dbraw/zinc/78/15/98/936781598.db2.gz RJONIPOVJDWTIC-ZFWWWQNUSA-N 2 2 274.368 1.040 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099183746 936781599 /nfs/dbraw/zinc/78/15/99/936781599.db2.gz RJONIPOVJDWTIC-ZFWWWQNUSA-N 2 2 274.368 1.040 20 30 CDEDLP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001140971273 936785880 /nfs/dbraw/zinc/78/58/80/936785880.db2.gz OAEWDGQSXUMPNM-HNNXBMFYSA-N 2 2 284.407 1.784 20 30 CDEDLP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001140971273 936785881 /nfs/dbraw/zinc/78/58/81/936785881.db2.gz OAEWDGQSXUMPNM-HNNXBMFYSA-N 2 2 284.407 1.784 20 30 CDEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696221 923868219 /nfs/dbraw/zinc/86/82/19/923868219.db2.gz QXVYEVJCWDVBCQ-AWEZNQCLSA-N 2 2 290.411 1.760 20 30 CDEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696221 923868229 /nfs/dbraw/zinc/86/82/29/923868229.db2.gz QXVYEVJCWDVBCQ-AWEZNQCLSA-N 2 2 290.411 1.760 20 30 CDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448680 924240631 /nfs/dbraw/zinc/24/06/31/924240631.db2.gz KBOWRTYXWROSLX-OAHLLOKOSA-N 2 2 288.395 1.219 20 30 CDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448680 924240643 /nfs/dbraw/zinc/24/06/43/924240643.db2.gz KBOWRTYXWROSLX-OAHLLOKOSA-N 2 2 288.395 1.219 20 30 CDEDLP N#Cc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1Cl ZINC001205725434 924717966 /nfs/dbraw/zinc/71/79/66/924717966.db2.gz HHLIPRCTSHRJCC-OAHLLOKOSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1Cl ZINC001205725434 924717976 /nfs/dbraw/zinc/71/79/76/924717976.db2.gz HHLIPRCTSHRJCC-OAHLLOKOSA-N 2 2 293.798 1.887 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406118 937056981 /nfs/dbraw/zinc/05/69/81/937056981.db2.gz CINCFVWTGTVVKQ-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406118 937056983 /nfs/dbraw/zinc/05/69/83/937056983.db2.gz CINCFVWTGTVVKQ-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201124895 926210343 /nfs/dbraw/zinc/21/03/43/926210343.db2.gz ATTHKRBXEWIOTO-ZIAGYGMSSA-N 2 2 286.379 1.117 20 30 CDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201124895 926210354 /nfs/dbraw/zinc/21/03/54/926210354.db2.gz ATTHKRBXEWIOTO-ZIAGYGMSSA-N 2 2 286.379 1.117 20 30 CDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(CCC#N)CC1)C2 ZINC001169141761 927766700 /nfs/dbraw/zinc/76/67/00/927766700.db2.gz SHDBLIKFQJUMAS-FICVDOATSA-N 2 2 262.401 1.143 20 30 CDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(CCC#N)CC1)C2 ZINC001169141761 927766711 /nfs/dbraw/zinc/76/67/11/927766711.db2.gz SHDBLIKFQJUMAS-FICVDOATSA-N 2 2 262.401 1.143 20 30 CDEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228830 929658634 /nfs/dbraw/zinc/65/86/34/929658634.db2.gz QWBDHRMWNDKXPP-OLZOCXBDSA-N 2 2 278.400 1.791 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545299 929782020 /nfs/dbraw/zinc/78/20/20/929782020.db2.gz NKFIUAPFTOROEP-NEPJUHHUSA-N 2 2 298.818 1.968 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545299 929782021 /nfs/dbraw/zinc/78/20/21/929782021.db2.gz NKFIUAPFTOROEP-NEPJUHHUSA-N 2 2 298.818 1.968 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135057595 930020433 /nfs/dbraw/zinc/02/04/33/930020433.db2.gz XVUDPPWQABKKIF-KGLIPLIRSA-N 2 2 292.427 1.802 20 30 CDEDLP C#CCC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001202693706 930481700 /nfs/dbraw/zinc/48/17/00/930481700.db2.gz CMBXONYWSAOQDP-CQSZACIVSA-N 2 2 288.395 1.438 20 30 CDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001275290668 931725484 /nfs/dbraw/zinc/72/54/84/931725484.db2.gz WNWLQPWEAQDSCE-CALCHBBNSA-N 2 2 284.407 1.378 20 30 CDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001275290668 931725486 /nfs/dbraw/zinc/72/54/86/931725486.db2.gz WNWLQPWEAQDSCE-CALCHBBNSA-N 2 2 284.407 1.378 20 30 CDEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCn1cc[nH+]c1 ZINC001171176820 931803027 /nfs/dbraw/zinc/80/30/27/931803027.db2.gz VXWYXDKBXRDTAY-CYBMUJFWSA-N 2 2 254.337 1.976 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC ZINC001095556222 932714358 /nfs/dbraw/zinc/71/43/58/932714358.db2.gz FOXZWVVQPLSADF-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC ZINC001095556222 932714364 /nfs/dbraw/zinc/71/43/64/932714364.db2.gz FOXZWVVQPLSADF-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC ZINC001095556222 932714371 /nfs/dbraw/zinc/71/43/71/932714371.db2.gz FOXZWVVQPLSADF-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC ZINC001095556222 932714375 /nfs/dbraw/zinc/71/43/75/932714375.db2.gz FOXZWVVQPLSADF-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092229061 932927626 /nfs/dbraw/zinc/92/76/26/932927626.db2.gz FCLKVIFOWAJRQY-CJNGLKHVSA-N 2 2 288.395 1.227 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092229061 932927630 /nfs/dbraw/zinc/92/76/30/932927630.db2.gz FCLKVIFOWAJRQY-CJNGLKHVSA-N 2 2 288.395 1.227 20 30 CDEDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC001120590884 937814784 /nfs/dbraw/zinc/81/47/84/937814784.db2.gz RZENUQISPPXBJV-BBRMVZONSA-N 2 2 273.380 1.523 20 30 CDEDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC001120590884 937814786 /nfs/dbraw/zinc/81/47/86/937814786.db2.gz RZENUQISPPXBJV-BBRMVZONSA-N 2 2 273.380 1.523 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158061982 938579267 /nfs/dbraw/zinc/57/92/67/938579267.db2.gz MJTPRVKTYCDXIP-UHFFFAOYSA-N 2 2 286.379 1.928 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160325590 938780547 /nfs/dbraw/zinc/78/05/47/938780547.db2.gz AUAOSZSESNRZNL-BFHYXJOUSA-N 2 2 290.411 1.964 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160325590 938780548 /nfs/dbraw/zinc/78/05/48/938780548.db2.gz AUAOSZSESNRZNL-BFHYXJOUSA-N 2 2 290.411 1.964 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160332231 938781077 /nfs/dbraw/zinc/78/10/77/938781077.db2.gz KVNZCZPDXMUQBH-VXGBXAGGSA-N 2 2 262.357 1.185 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160332231 938781080 /nfs/dbraw/zinc/78/10/80/938781080.db2.gz KVNZCZPDXMUQBH-VXGBXAGGSA-N 2 2 262.357 1.185 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2Cc3ccccc3C2)CC1 ZINC001160432460 938787081 /nfs/dbraw/zinc/78/70/81/938787081.db2.gz WRBFBXKVCUWWDI-KRWDZBQOSA-N 2 2 299.418 1.059 20 30 CDEDLP Cc1cc(C#N)cnc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164210720 939430693 /nfs/dbraw/zinc/43/06/93/939430693.db2.gz HLGDSZVJGUQCIS-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP C[C@H]1CC[C@@H](C[NH3+])CN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001164468456 939476722 /nfs/dbraw/zinc/47/67/22/939476722.db2.gz QYAOQFXFNXGYBN-QWRGUYRKSA-N 2 2 269.352 1.998 20 30 CDEDLP Cc1[nH+]c2c(n1-c1cc(Cl)ncc1C#N)CC[NH2+]CC2 ZINC001165352497 939550354 /nfs/dbraw/zinc/55/03/54/939550354.db2.gz VYSXVELEHKFAMY-UHFFFAOYSA-N 2 2 287.754 1.789 20 30 CDEDLP COc1ccnc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)c1C#N ZINC001165353219 939550874 /nfs/dbraw/zinc/55/08/74/939550874.db2.gz MSLCSGPNDNXEDS-UHFFFAOYSA-N 2 2 283.335 1.144 20 30 CDEDLP N#Cc1ccc(F)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205681765 939917945 /nfs/dbraw/zinc/91/79/45/939917945.db2.gz NNVKKWDRBKOFCG-HNNXBMFYSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205681765 939917949 /nfs/dbraw/zinc/91/79/49/939917949.db2.gz NNVKKWDRBKOFCG-HNNXBMFYSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1cc(F)cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205681757 939918456 /nfs/dbraw/zinc/91/84/56/939918456.db2.gz NLKNRUJKYBZBEC-HNNXBMFYSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1cc(F)cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205681757 939918457 /nfs/dbraw/zinc/91/84/57/939918457.db2.gz NLKNRUJKYBZBEC-HNNXBMFYSA-N 2 2 277.343 1.373 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC001276607701 940422749 /nfs/dbraw/zinc/42/27/49/940422749.db2.gz AVLMBCGHLKPRJN-MRXNPFEDSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC001276607701 940422750 /nfs/dbraw/zinc/42/27/50/940422750.db2.gz AVLMBCGHLKPRJN-MRXNPFEDSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC001276607701 940422752 /nfs/dbraw/zinc/42/27/52/940422752.db2.gz AVLMBCGHLKPRJN-MRXNPFEDSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC001276607701 940422753 /nfs/dbraw/zinc/42/27/53/940422753.db2.gz AVLMBCGHLKPRJN-MRXNPFEDSA-N 2 2 272.396 1.814 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209336606 940462402 /nfs/dbraw/zinc/46/24/02/940462402.db2.gz HRQLYSLTSSETGV-UMVBOHGHSA-N 2 2 290.411 1.601 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209336606 940462403 /nfs/dbraw/zinc/46/24/03/940462403.db2.gz HRQLYSLTSSETGV-UMVBOHGHSA-N 2 2 290.411 1.601 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209336606 940462407 /nfs/dbraw/zinc/46/24/07/940462407.db2.gz HRQLYSLTSSETGV-UMVBOHGHSA-N 2 2 290.411 1.601 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211371015 940750636 /nfs/dbraw/zinc/75/06/36/940750636.db2.gz IHTMCXYXZHWGHL-DGCLKSJQSA-N 2 2 287.835 1.516 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211371015 940750640 /nfs/dbraw/zinc/75/06/40/940750640.db2.gz IHTMCXYXZHWGHL-DGCLKSJQSA-N 2 2 287.835 1.516 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371015 940750644 /nfs/dbraw/zinc/75/06/44/940750644.db2.gz IHTMCXYXZHWGHL-DGCLKSJQSA-N 2 2 287.835 1.516 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371015 940750646 /nfs/dbraw/zinc/75/06/46/940750646.db2.gz IHTMCXYXZHWGHL-DGCLKSJQSA-N 2 2 287.835 1.516 20 30 CDEDLP N#Cc1c(F)ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1F ZINC001218912838 941287037 /nfs/dbraw/zinc/28/70/37/941287037.db2.gz FSYSWZFIIDHNST-SNVBAGLBSA-N 2 2 291.261 1.068 20 30 CDEDLP CCc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc(CC)c1C#N ZINC001219114686 941309818 /nfs/dbraw/zinc/30/98/18/941309818.db2.gz MJBROXJKJFWIEP-GJZGRUSLSA-N 2 2 286.379 1.168 20 30 CDEDLP C#Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1F ZINC001219384161 941338636 /nfs/dbraw/zinc/33/86/36/941338636.db2.gz KNSNXPPIXFUTDD-ZDUSSCGKSA-N 2 2 272.283 1.039 20 30 CDEDLP CC[C@H](CC#N)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220898386 941484695 /nfs/dbraw/zinc/48/46/95/941484695.db2.gz HOCSLBHIADMUFC-CHWSQXEVSA-N 2 2 260.341 1.067 20 30 CDEDLP C=C(C)C[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224665452 941781167 /nfs/dbraw/zinc/78/11/67/941781167.db2.gz IYUJFIGRZJDUOR-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP C=C(C)C[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001225278592 941836891 /nfs/dbraw/zinc/83/68/91/941836891.db2.gz UCAOUFYFLWLNQX-UHFFFAOYSA-N 2 2 290.411 1.665 20 30 CDEDLP COc1cc(C#N)ccc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001231620354 942944604 /nfs/dbraw/zinc/94/46/04/942944604.db2.gz WWFIJZOBVIZRAO-UHFFFAOYSA-N 2 2 282.347 1.822 20 30 CDEDLP COc1cc(C#N)ccc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001231620354 942944606 /nfs/dbraw/zinc/94/46/06/942944606.db2.gz WWFIJZOBVIZRAO-UHFFFAOYSA-N 2 2 282.347 1.822 20 30 CDEDLP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC[NH3+])[C@@H]2CC ZINC001235528212 944189396 /nfs/dbraw/zinc/18/93/96/944189396.db2.gz ZPTRDZBHKPLFNI-HIFRSBDPSA-N 2 2 265.401 1.367 20 30 CDEDLP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC[NH3+])[C@@H]2CC ZINC001235528212 944189400 /nfs/dbraw/zinc/18/94/00/944189400.db2.gz ZPTRDZBHKPLFNI-HIFRSBDPSA-N 2 2 265.401 1.367 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236173191 944423885 /nfs/dbraw/zinc/42/38/85/944423885.db2.gz MRPVVOKCIUOTFQ-AWEZNQCLSA-N 2 2 258.369 1.569 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236173191 944423887 /nfs/dbraw/zinc/42/38/87/944423887.db2.gz MRPVVOKCIUOTFQ-AWEZNQCLSA-N 2 2 258.369 1.569 20 30 CDEDLP C=C1C[C@@H]2CC([N@H+]3C[C@H]([NH3+])[C@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001246928746 948524195 /nfs/dbraw/zinc/52/41/95/948524195.db2.gz AGLZYOWJAWBFIY-WQGXVZNYSA-N 2 2 278.396 1.553 20 30 CDEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@H]([NH3+])[C@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001246928746 948524198 /nfs/dbraw/zinc/52/41/98/948524198.db2.gz AGLZYOWJAWBFIY-WQGXVZNYSA-N 2 2 278.396 1.553 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001421896934 955637607 /nfs/dbraw/zinc/63/76/07/955637607.db2.gz QVJNUOJMEJZVST-UHFFFAOYSA-N 2 2 298.818 1.793 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001421896934 955637615 /nfs/dbraw/zinc/63/76/15/955637615.db2.gz QVJNUOJMEJZVST-UHFFFAOYSA-N 2 2 298.818 1.793 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001318326297 958038972 /nfs/dbraw/zinc/03/89/72/958038972.db2.gz HCRPWAGQULJERW-GFCCVEGCSA-N 2 2 262.357 1.211 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001367575709 958144901 /nfs/dbraw/zinc/14/49/01/958144901.db2.gz HXIXQLWKDQRINO-NWDGAFQWSA-N 2 2 296.802 1.579 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418799603 961040067 /nfs/dbraw/zinc/04/00/67/961040067.db2.gz YRAQVOLNCUWLDS-LBPRGKRZSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001418799603 961040088 /nfs/dbraw/zinc/04/00/88/961040088.db2.gz YRAQVOLNCUWLDS-LBPRGKRZSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001418799603 961040107 /nfs/dbraw/zinc/04/01/07/961040107.db2.gz YRAQVOLNCUWLDS-LBPRGKRZSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001418799603 961040132 /nfs/dbraw/zinc/04/01/32/961040132.db2.gz YRAQVOLNCUWLDS-LBPRGKRZSA-N 2 2 285.819 1.271 20 30 CDEDLP C#CC[NH2+]CC(=O)N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC001341595166 963477009 /nfs/dbraw/zinc/47/70/09/963477009.db2.gz SPMVZAGABLZLTG-UHFFFAOYSA-N 2 2 299.418 1.116 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001442166992 964896691 /nfs/dbraw/zinc/89/66/91/964896691.db2.gz VAMABRPSDFJBER-GFCCVEGCSA-N 2 2 298.818 1.825 20 30 CDEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001347037668 965342271 /nfs/dbraw/zinc/34/22/71/965342271.db2.gz BNLBFRKRQCTYCM-CABCVRRESA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001347037668 965342279 /nfs/dbraw/zinc/34/22/79/965342279.db2.gz BNLBFRKRQCTYCM-CABCVRRESA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001347037668 965342287 /nfs/dbraw/zinc/34/22/87/965342287.db2.gz BNLBFRKRQCTYCM-CABCVRRESA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001347037668 965342294 /nfs/dbraw/zinc/34/22/94/965342294.db2.gz BNLBFRKRQCTYCM-CABCVRRESA-N 2 2 278.396 1.500 20 30 CDEDLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001418288143 973728839 /nfs/dbraw/zinc/72/88/39/973728839.db2.gz YXFHJTRKYGFPDT-LBPRGKRZSA-N 2 2 297.362 1.118 20 30 CDEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000591582522 342638183 /nfs/dbraw/zinc/63/81/83/342638183.db2.gz ZLBLSFSVAXJNFO-HOCLYGCPSA-N 2 2 271.364 1.514 20 30 CDEDLP C[NH+](C)[C@]1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCSC1 ZINC000442765955 362087633 /nfs/dbraw/zinc/08/76/33/362087633.db2.gz KHHZALSZDQJTTE-AVGNSLFASA-N 2 2 253.415 1.706 20 30 CDEDLP C=C[C@@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1C ZINC000619719851 349869761 /nfs/dbraw/zinc/86/97/61/349869761.db2.gz HSNXLHXVLPKJEM-LBPRGKRZSA-N 2 2 251.330 1.241 20 30 CDEDLP C=C[C@@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000619719851 349869764 /nfs/dbraw/zinc/86/97/64/349869764.db2.gz HSNXLHXVLPKJEM-LBPRGKRZSA-N 2 2 251.330 1.241 20 30 CDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CC(C)(C)C#N ZINC000598592629 343839036 /nfs/dbraw/zinc/83/90/36/343839036.db2.gz KLPQMHWZRRYDIU-ILXRZTDVSA-N 2 2 279.428 1.846 20 30 CDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CC(C)(C)C#N ZINC000598592629 343839037 /nfs/dbraw/zinc/83/90/37/343839037.db2.gz KLPQMHWZRRYDIU-ILXRZTDVSA-N 2 2 279.428 1.846 20 30 CDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CC(C)(C)C#N ZINC000598592629 343839039 /nfs/dbraw/zinc/83/90/39/343839039.db2.gz KLPQMHWZRRYDIU-ILXRZTDVSA-N 2 2 279.428 1.846 20 30 CDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CC(C)(C)C#N ZINC000598592629 343839041 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20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044626810 685472557 /nfs/dbraw/zinc/47/25/57/685472557.db2.gz MJMBYPOEWFGBCW-ZIAGYGMSSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001044691651 685595892 /nfs/dbraw/zinc/59/58/92/685595892.db2.gz BJTLCIQKVUAKMN-KBPBESRZSA-N 2 2 276.384 1.428 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(C)c1Cl ZINC000385707938 684360131 /nfs/dbraw/zinc/36/01/31/684360131.db2.gz GVUTUVNEJGVRAS-UHFFFAOYSA-N 2 2 268.792 1.427 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(C)c1Cl ZINC000385707938 684360135 /nfs/dbraw/zinc/36/01/35/684360135.db2.gz GVUTUVNEJGVRAS-UHFFFAOYSA-N 2 2 268.792 1.427 20 30 CDEDLP C#CC[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000928648685 684365269 /nfs/dbraw/zinc/36/52/69/684365269.db2.gz QAPIMAKHFWXBGR-UHFFFAOYSA-N 2 2 296.374 1.470 20 30 CDEDLP C=CC[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C(C)C ZINC000790372190 684498473 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C[C@@]1([NH3+])CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001204783548 906403035 /nfs/dbraw/zinc/40/30/35/906403035.db2.gz UATWSPHDWDHQKA-OAHLLOKOSA-N 2 2 254.337 1.963 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001094908337 911633062 /nfs/dbraw/zinc/63/30/62/911633062.db2.gz ATYOXMRDOVLXSC-IHRRRGAJSA-N 2 2 288.395 1.497 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106923047 917266523 /nfs/dbraw/zinc/26/65/23/917266523.db2.gz ZMAWJFMHJRWUGJ-TZMCWYRMSA-N 2 2 290.411 1.521 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185215594 919482988 /nfs/dbraw/zinc/48/29/88/919482988.db2.gz MCKPMAJUXBVRQQ-UONOGXRCSA-N 2 2 290.411 1.603 20 30 CDEDLP C#CCN1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805077 936758555 /nfs/dbraw/zinc/75/85/55/936758555.db2.gz QMMOFPSPDOXAGU-UHFFFAOYSA-N 2 2 254.337 1.314 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001409986611 922624295 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290.411 1.603 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103070246 937120408 /nfs/dbraw/zinc/12/04/08/937120408.db2.gz DMFSCKUYAYNEIZ-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944766 930552158 /nfs/dbraw/zinc/55/21/58/930552158.db2.gz PFLAIAFDMBWKFN-KBPBESRZSA-N 2 2 292.427 1.802 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136052353 930624552 /nfs/dbraw/zinc/62/45/52/930624552.db2.gz PFCFKDDKHFBIMC-UONOGXRCSA-N 2 2 292.427 1.802 20 30 CDEDLP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001245995194 930857564 /nfs/dbraw/zinc/85/75/64/930857564.db2.gz MCKQDKWWDOHLFG-SOUVJXGZSA-N 2 2 270.417 1.044 20 30 CDEDLP C=CCCC[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001274964414 931618227 /nfs/dbraw/zinc/61/82/27/931618227.db2.gz LQZQCHYDTNAROI-UHFFFAOYSA-N 2 2 260.385 1.609 20 30 CDEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(C#N)cn1)CC2 ZINC001144159104 931674365 /nfs/dbraw/zinc/67/43/65/931674365.db2.gz YMLYAASVQWGIKG-UHFFFAOYSA-N 2 2 299.378 1.583 20 30 CDEDLP CCCC[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)CC[NH2+]1 ZINC001246591212 932008711 /nfs/dbraw/zinc/00/87/11/932008711.db2.gz GBBNHOPQBDFYHO-RDBSUJKOSA-N 2 2 250.390 1.095 20 30 CDEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712162 932287984 /nfs/dbraw/zinc/28/79/84/932287984.db2.gz AKXCWWJDJCXMKD-CABCVRRESA-N 2 2 290.411 1.560 20 30 CDEDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001119631495 937741683 /nfs/dbraw/zinc/74/16/83/937741683.db2.gz WMPXMTTZLCODKI-CQSZACIVSA-N 2 2 259.353 1.819 20 30 CDEDLP N#CCCCCNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001157641035 938525169 /nfs/dbraw/zinc/52/51/69/938525169.db2.gz IABSWSVDQMWELS-UHFFFAOYSA-N 2 2 259.357 1.597 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160827136 938830054 /nfs/dbraw/zinc/83/00/54/938830054.db2.gz VKAQZKMXOPSKOX-UHFFFAOYSA-N 2 2 278.400 1.599 20 30 CDEDLP N#CCc1cc[nH+]c(NC2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC001161469390 938905370 /nfs/dbraw/zinc/90/53/70/938905370.db2.gz FLKRRAUTZFAIGL-HNNXBMFYSA-N 2 2 285.395 1.386 20 30 CDEDLP N#CCc1ccc[nH+]c1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163306025 939243093 /nfs/dbraw/zinc/24/30/93/939243093.db2.gz PIQSUFWMIRRMMU-ZFWWWQNUSA-N 2 2 272.352 1.471 20 30 CDEDLP C#CCNc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001163363138 939257320 /nfs/dbraw/zinc/25/73/20/939257320.db2.gz HNEPOTHANLFORK-UHFFFAOYSA-N 2 2 259.357 1.005 20 30 CDEDLP Cc1[nH+]c2c(n1-c1nc(C)c(C)cc1C#N)CC[NH2+]CC2 ZINC001165353505 939550508 /nfs/dbraw/zinc/55/05/08/939550508.db2.gz PTORDLOXTCPCTE-UHFFFAOYSA-N 2 2 281.363 1.752 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166402634 939607508 /nfs/dbraw/zinc/60/75/08/939607508.db2.gz RGEJFCVTKFDNOM-LLVKDONJSA-N 2 2 296.802 1.678 20 30 CDEDLP C#C[C@@H]1CCCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001167006763 939670579 /nfs/dbraw/zinc/67/05/79/939670579.db2.gz VSYFHNOEFKLWAM-CQSZACIVSA-N 2 2 270.380 1.341 20 30 CDEDLP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203529368 939691184 /nfs/dbraw/zinc/69/11/84/939691184.db2.gz CNFJOVOIDXJWIC-OLZOCXBDSA-N 2 2 288.395 1.545 20 30 CDEDLP C=CCOC(=O)N1CCC2(CC1)CC[NH+](CC[NH3+])CC2 ZINC001204848890 939799128 /nfs/dbraw/zinc/79/91/28/939799128.db2.gz VDZGWZLBOXTZGD-UHFFFAOYSA-N 2 2 281.400 1.446 20 30 CDEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206401962 940032754 /nfs/dbraw/zinc/03/27/54/940032754.db2.gz HTCUCVWZSBNQCI-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351068 940463854 /nfs/dbraw/zinc/46/38/54/940463854.db2.gz KNPOXCMSEGQCGK-GZBFAFLISA-N 2 2 288.395 1.048 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351068 940463857 /nfs/dbraw/zinc/46/38/57/940463857.db2.gz KNPOXCMSEGQCGK-GZBFAFLISA-N 2 2 288.395 1.048 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351068 940463859 /nfs/dbraw/zinc/46/38/59/940463859.db2.gz KNPOXCMSEGQCGK-GZBFAFLISA-N 2 2 288.395 1.048 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351068 940463861 /nfs/dbraw/zinc/46/38/61/940463861.db2.gz KNPOXCMSEGQCGK-GZBFAFLISA-N 2 2 288.395 1.048 20 30 CDEDLP C[C@@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc1 ZINC001218871317 941282408 /nfs/dbraw/zinc/28/24/08/941282408.db2.gz LDFCQYLKTCZNGO-NHYWBVRUSA-N 2 2 297.362 1.556 20 30 CDEDLP N#Cc1c(F)ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1F ZINC001218912837 941287182 /nfs/dbraw/zinc/28/71/82/941287182.db2.gz FSYSWZFIIDHNST-JTQLQIEISA-N 2 2 291.261 1.068 20 30 CDEDLP C#Cc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1F ZINC001219384158 941338151 /nfs/dbraw/zinc/33/81/51/941338151.db2.gz KNSNXPPIXFUTDD-CYBMUJFWSA-N 2 2 272.283 1.039 20 30 CDEDLP N#C[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1ccccc1 ZINC001219558590 941355271 /nfs/dbraw/zinc/35/52/71/941355271.db2.gz RWBOVUDBRYEXPH-CVEARBPZSA-N 2 2 294.358 1.640 20 30 CDEDLP CC[N@H+](Cc1cc(C#N)ccn1)C1CC[NH+](C)CC1 ZINC001232480960 943294184 /nfs/dbraw/zinc/29/41/84/943294184.db2.gz OMMXAJIBNTUPHH-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP CC[N@@H+](Cc1cc(C#N)ccn1)C1CC[NH+](C)CC1 ZINC001232480960 943294188 /nfs/dbraw/zinc/29/41/88/943294188.db2.gz OMMXAJIBNTUPHH-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP Cn1cc(C[NH+]2CC3(CN(c4cc[nH+]cc4)C3)C2)cc1C#N ZINC001277693949 943342843 /nfs/dbraw/zinc/34/28/43/943342843.db2.gz NMCTZHGTJWPELF-UHFFFAOYSA-N 2 2 293.374 1.614 20 30 CDEDLP C#C[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702543661 944647976 /nfs/dbraw/zinc/64/79/76/944647976.db2.gz DHYNCEYSPDXHMN-GOEBONIOSA-N 2 2 258.365 1.235 20 30 CDEDLP C#C[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702543661 944647979 /nfs/dbraw/zinc/64/79/79/944647979.db2.gz DHYNCEYSPDXHMN-GOEBONIOSA-N 2 2 258.365 1.235 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246704245 948410590 /nfs/dbraw/zinc/41/05/90/948410590.db2.gz PXFWSGCXEFTQIM-HLLBOEOZSA-N 2 2 291.439 1.627 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246704245 948410594 /nfs/dbraw/zinc/41/05/94/948410594.db2.gz PXFWSGCXEFTQIM-HLLBOEOZSA-N 2 2 291.439 1.627 20 30 CDEDLP N#CCCC[C@@H]([NH3+])c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001325895312 954130466 /nfs/dbraw/zinc/13/04/66/954130466.db2.gz GZFKSGMMBCMAHS-VXGBXAGGSA-N 2 2 275.356 1.572 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001329269317 955791075 /nfs/dbraw/zinc/79/10/75/955791075.db2.gz GPGLHXYVCUQNBO-LBPRGKRZSA-N 2 2 275.356 1.137 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001445768654 966328584 /nfs/dbraw/zinc/32/85/84/966328584.db2.gz VYSOPQVPGHYEMX-CYBMUJFWSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001445768654 966328592 /nfs/dbraw/zinc/32/85/92/966328592.db2.gz VYSOPQVPGHYEMX-CYBMUJFWSA-N 2 2 299.846 1.804 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001100438954 968359330 /nfs/dbraw/zinc/35/93/30/968359330.db2.gz ICMHEJFBLFELSC-UHFFFAOYSA-N 2 2 289.379 1.303 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001377267894 974950303 /nfs/dbraw/zinc/95/03/03/974950303.db2.gz XUFXXEQSOYJNAT-UHFFFAOYSA-N 2 2 273.808 1.129 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001377267894 974950305 /nfs/dbraw/zinc/95/03/05/974950305.db2.gz XUFXXEQSOYJNAT-UHFFFAOYSA-N 2 2 273.808 1.129 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(F)c1 ZINC000591570704 342637157 /nfs/dbraw/zinc/63/71/57/342637157.db2.gz DHHWSRWNEUVKKB-HOTGVXAUSA-N 2 2 289.354 1.554 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c(F)c1 ZINC000591570703 342637181 /nfs/dbraw/zinc/63/71/81/342637181.db2.gz DHHWSRWNEUVKKB-CVEARBPZSA-N 2 2 289.354 1.554 20 30 CDEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCC#N ZINC000591759544 342644264 /nfs/dbraw/zinc/64/42/64/342644264.db2.gz ZQPDTFNLXUXOHB-OAHLLOKOSA-N 2 2 261.369 1.373 20 30 CDEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCC#N ZINC000591759544 342644265 /nfs/dbraw/zinc/64/42/65/342644265.db2.gz ZQPDTFNLXUXOHB-OAHLLOKOSA-N 2 2 261.369 1.373 20 30 CDEDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593970992 342858768 /nfs/dbraw/zinc/85/87/68/342858768.db2.gz BKKXUCCWCXXDLX-XJKSGUPXSA-N 2 2 291.395 1.148 20 30 CDEDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593970992 342858769 /nfs/dbraw/zinc/85/87/69/342858769.db2.gz BKKXUCCWCXXDLX-XJKSGUPXSA-N 2 2 291.395 1.148 20 30 CDEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000269404536 539069630 /nfs/dbraw/zinc/06/96/30/539069630.db2.gz HECVRDBVVCEZHN-CYBMUJFWSA-N 2 2 291.370 1.755 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000598724060 343885428 /nfs/dbraw/zinc/88/54/28/343885428.db2.gz LULFGGSLSABVGA-NEPJUHHUSA-N 2 2 262.357 1.088 20 30 CDEDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598728653 343887263 /nfs/dbraw/zinc/88/72/63/343887263.db2.gz DZLRHUUGNUQMPW-STQMWFEESA-N 2 2 253.390 1.361 20 30 CDEDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598728653 343887265 /nfs/dbraw/zinc/88/72/65/343887265.db2.gz DZLRHUUGNUQMPW-STQMWFEESA-N 2 2 253.390 1.361 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000602623822 344500783 /nfs/dbraw/zinc/50/07/83/344500783.db2.gz REIFYRHVAPHZGQ-UONOGXRCSA-N 2 2 288.395 1.886 20 30 CDEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449387159 362681745 /nfs/dbraw/zinc/68/17/45/362681745.db2.gz KOJWNIKFTNMZOE-AWEZNQCLSA-N 2 2 267.417 1.753 20 30 CDEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449387159 362681747 /nfs/dbraw/zinc/68/17/47/362681747.db2.gz KOJWNIKFTNMZOE-AWEZNQCLSA-N 2 2 267.417 1.753 20 30 CDEDLP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449702317 362768443 /nfs/dbraw/zinc/76/84/43/362768443.db2.gz YRGIBNNYYYVIPO-KRWDZBQOSA-N 2 2 289.423 1.963 20 30 CDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cccc(C#N)n3)C2)CC1 ZINC000611117614 346612925 /nfs/dbraw/zinc/61/29/25/346612925.db2.gz QZMVBCAMMOLASR-CQSZACIVSA-N 2 2 285.395 1.534 20 30 CDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cccc(C#N)n3)C2)CC1 ZINC000611117614 346612926 /nfs/dbraw/zinc/61/29/26/346612926.db2.gz QZMVBCAMMOLASR-CQSZACIVSA-N 2 2 285.395 1.534 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)nn1 ZINC000623657401 349322340 /nfs/dbraw/zinc/32/23/40/349322340.db2.gz PVWACIOIFMLVRU-CQSZACIVSA-N 2 2 277.416 1.676 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)nn1 ZINC000623657401 349322342 /nfs/dbraw/zinc/32/23/42/349322342.db2.gz PVWACIOIFMLVRU-CQSZACIVSA-N 2 2 277.416 1.676 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086048 351411894 /nfs/dbraw/zinc/41/18/94/351411894.db2.gz RHFIKJXXDPBPCO-STQMWFEESA-N 2 2 253.390 1.271 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086048 351411897 /nfs/dbraw/zinc/41/18/97/351411897.db2.gz RHFIKJXXDPBPCO-STQMWFEESA-N 2 2 253.390 1.271 20 30 CDEDLP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000572595101 366062471 /nfs/dbraw/zinc/06/24/71/366062471.db2.gz SUWCFADMHBKLKZ-HUUCEWRRSA-N 2 2 262.401 1.997 20 30 CDEDLP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000572595101 366062473 /nfs/dbraw/zinc/06/24/73/366062473.db2.gz SUWCFADMHBKLKZ-HUUCEWRRSA-N 2 2 262.401 1.997 20 30 CDEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H](C)O1 ZINC000517232104 356549620 /nfs/dbraw/zinc/54/96/20/356549620.db2.gz WKXDZMNWOGMXCZ-XFIYOXNOSA-N 2 2 295.427 1.128 20 30 CDEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H](C)O1 ZINC000517232104 356549623 /nfs/dbraw/zinc/54/96/23/356549623.db2.gz WKXDZMNWOGMXCZ-XFIYOXNOSA-N 2 2 295.427 1.128 20 30 CDEDLP Cn1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1C#N ZINC000191362096 358128426 /nfs/dbraw/zinc/12/84/26/358128426.db2.gz SIQDDHORWGKVIG-UHFFFAOYSA-N 2 2 290.411 1.175 20 30 CDEDLP Cn1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1C#N ZINC000191362096 358128429 /nfs/dbraw/zinc/12/84/29/358128429.db2.gz SIQDDHORWGKVIG-UHFFFAOYSA-N 2 2 290.411 1.175 20 30 CDEDLP C#CCn1ccc(C[N@H+](CC)CCn2cc[nH+]c2)n1 ZINC000279734602 359592795 /nfs/dbraw/zinc/59/27/95/359592795.db2.gz NTJAKWXQDIBJQO-UHFFFAOYSA-N 2 2 257.341 1.235 20 30 CDEDLP C#CCn1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)n1 ZINC000279734602 359592799 /nfs/dbraw/zinc/59/27/99/359592799.db2.gz NTJAKWXQDIBJQO-UHFFFAOYSA-N 2 2 257.341 1.235 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](CC)CC)C2)C1=O ZINC000337172000 360007891 /nfs/dbraw/zinc/00/78/91/360007891.db2.gz GHQWXDXSXIMISY-HUUCEWRRSA-N 2 2 279.428 1.437 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+](CC)CC)C2)C1=O ZINC000337172000 360007893 /nfs/dbraw/zinc/00/78/93/360007893.db2.gz GHQWXDXSXIMISY-HUUCEWRRSA-N 2 2 279.428 1.437 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000353573035 365307185 /nfs/dbraw/zinc/30/71/85/365307185.db2.gz GXHZGBCYOHKGQC-FVQBIDKESA-N 2 2 260.381 1.958 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353573035 365307188 /nfs/dbraw/zinc/30/71/88/365307188.db2.gz GXHZGBCYOHKGQC-FVQBIDKESA-N 2 2 260.381 1.958 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860952 369469928 /nfs/dbraw/zinc/46/99/28/369469928.db2.gz LHUGMXBTYOVMPS-OAHLLOKOSA-N 2 2 294.443 1.555 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860952 369469932 /nfs/dbraw/zinc/46/99/32/369469932.db2.gz LHUGMXBTYOVMPS-OAHLLOKOSA-N 2 2 294.443 1.555 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860952 369469936 /nfs/dbraw/zinc/46/99/36/369469936.db2.gz LHUGMXBTYOVMPS-OAHLLOKOSA-N 2 2 294.443 1.555 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860952 369469938 /nfs/dbraw/zinc/46/99/38/369469938.db2.gz LHUGMXBTYOVMPS-OAHLLOKOSA-N 2 2 294.443 1.555 20 30 CDEDLP CC(C)[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1[nH]cc[nH+]1 ZINC000578986390 372550690 /nfs/dbraw/zinc/55/06/90/372550690.db2.gz YCTQCCQPMMORIV-GHMZBOCLSA-N 2 2 263.345 1.244 20 30 CDEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986539 541961056 /nfs/dbraw/zinc/96/10/56/541961056.db2.gz VKRVIORXPPNSAH-HZPDHXFCSA-N 2 2 282.428 1.500 20 30 CDEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986539 541961061 /nfs/dbraw/zinc/96/10/61/541961061.db2.gz VKRVIORXPPNSAH-HZPDHXFCSA-N 2 2 282.428 1.500 20 30 CDEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000331108370 374890880 /nfs/dbraw/zinc/89/08/80/374890880.db2.gz RUAVRKPZJUWADI-MRXNPFEDSA-N 2 2 290.411 1.079 20 30 CDEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000267208413 190311875 /nfs/dbraw/zinc/31/18/75/190311875.db2.gz QCMWCMIPHWCBTF-ZDUSSCGKSA-N 2 2 292.408 1.049 20 30 CDEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000267208413 190311876 /nfs/dbraw/zinc/31/18/76/190311876.db2.gz QCMWCMIPHWCBTF-ZDUSSCGKSA-N 2 2 292.408 1.049 20 30 CDEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000267208412 190312113 /nfs/dbraw/zinc/31/21/13/190312113.db2.gz QCMWCMIPHWCBTF-CYBMUJFWSA-N 2 2 292.408 1.049 20 30 CDEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000267208412 190312114 /nfs/dbraw/zinc/31/21/14/190312114.db2.gz QCMWCMIPHWCBTF-CYBMUJFWSA-N 2 2 292.408 1.049 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267462516 190332369 /nfs/dbraw/zinc/33/23/69/190332369.db2.gz VRYUEMRFPZMTCX-CQSZACIVSA-N 2 2 288.395 1.790 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267462516 190332370 /nfs/dbraw/zinc/33/23/70/190332370.db2.gz VRYUEMRFPZMTCX-CQSZACIVSA-N 2 2 288.395 1.790 20 30 CDEDLP Cc1cc(C#N)nc(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000288211435 197026997 /nfs/dbraw/zinc/02/69/97/197026997.db2.gz DDOJCPSNHYSEEQ-UHFFFAOYSA-N 2 2 288.399 1.095 20 30 CDEDLP C=CCNC(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)=[NH+]C ZINC000103901694 390482624 /nfs/dbraw/zinc/48/26/24/390482624.db2.gz CNYYPAVIRGAAKD-GFCCVEGCSA-N 2 2 292.452 1.846 20 30 CDEDLP C=CCNC(NC[C@@H](C)[N@H+]1CCc2sccc2C1)=[NH+]C ZINC000103901694 390482630 /nfs/dbraw/zinc/48/26/30/390482630.db2.gz CNYYPAVIRGAAKD-GFCCVEGCSA-N 2 2 292.452 1.846 20 30 CDEDLP CC(C)(C#N)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000119685564 390563199 /nfs/dbraw/zinc/56/31/99/390563199.db2.gz ADVMDVRVOCCAFG-AWEZNQCLSA-N 2 2 265.401 1.580 20 30 CDEDLP CC(C)(C#N)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000119685564 390563203 /nfs/dbraw/zinc/56/32/03/390563203.db2.gz ADVMDVRVOCCAFG-AWEZNQCLSA-N 2 2 265.401 1.580 20 30 CDEDLP C[N@H+](CCCSCC#N)CCCn1cc[nH+]c1 ZINC000119742442 390856410 /nfs/dbraw/zinc/85/64/10/390856410.db2.gz DYKILWQQCAUPIQ-UHFFFAOYSA-N 2 2 252.387 1.852 20 30 CDEDLP C[N@@H+](CCCSCC#N)CCCn1cc[nH+]c1 ZINC000119742442 390856412 /nfs/dbraw/zinc/85/64/12/390856412.db2.gz DYKILWQQCAUPIQ-UHFFFAOYSA-N 2 2 252.387 1.852 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791799 390916784 /nfs/dbraw/zinc/91/67/84/390916784.db2.gz CEQAASNIQGZGEG-LSDHHAIUSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791799 390916786 /nfs/dbraw/zinc/91/67/86/390916786.db2.gz CEQAASNIQGZGEG-LSDHHAIUSA-N 2 2 292.427 1.165 20 30 CDEDLP C#CCNC(=[NH+]CC)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261968739 391744375 /nfs/dbraw/zinc/74/43/75/391744375.db2.gz MCYOFLRWMAAWLS-ZIAGYGMSSA-N 2 2 273.384 1.365 20 30 CDEDLP C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648316274 391768004 /nfs/dbraw/zinc/76/80/04/391768004.db2.gz XIOOUXYZWAQXGP-ZDUSSCGKSA-N 2 2 279.428 1.483 20 30 CDEDLP C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648316274 391768008 /nfs/dbraw/zinc/76/80/08/391768008.db2.gz XIOOUXYZWAQXGP-ZDUSSCGKSA-N 2 2 279.428 1.483 20 30 CDEDLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000329743915 391768428 /nfs/dbraw/zinc/76/84/28/391768428.db2.gz XMXQSNPBVRSJKF-LLVKDONJSA-N 2 2 291.399 1.255 20 30 CDEDLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000329743915 391768433 /nfs/dbraw/zinc/76/84/33/391768433.db2.gz XMXQSNPBVRSJKF-LLVKDONJSA-N 2 2 291.399 1.255 20 30 CDEDLP C#CCNC(NCc1cccnc1-n1cc[nH+]c1C)=[NH+]CC ZINC000262604432 391798852 /nfs/dbraw/zinc/79/88/52/391798852.db2.gz FKMSXIFXYVXSID-UHFFFAOYSA-N 2 2 296.378 1.264 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660660865 413355531 /nfs/dbraw/zinc/35/55/31/413355531.db2.gz AZRCCWJMKDWXSH-GDBMZVCRSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660660865 413355536 /nfs/dbraw/zinc/35/55/36/413355536.db2.gz AZRCCWJMKDWXSH-GDBMZVCRSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660660865 413355543 /nfs/dbraw/zinc/35/55/43/413355543.db2.gz AZRCCWJMKDWXSH-GDBMZVCRSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660660865 413355548 /nfs/dbraw/zinc/35/55/48/413355548.db2.gz AZRCCWJMKDWXSH-GDBMZVCRSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](CC)CC2)nn1 ZINC000657291897 414122455 /nfs/dbraw/zinc/12/24/55/414122455.db2.gz ADCQWOVPMHJPJP-UHFFFAOYSA-N 2 2 263.389 1.428 20 30 CDEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)NC(C)C ZINC000072623052 260276853 /nfs/dbraw/zinc/27/68/53/260276853.db2.gz APFOQXPMEOMQIJ-UHFFFAOYSA-N 2 2 286.383 1.731 20 30 CDEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000414957502 263161774 /nfs/dbraw/zinc/16/17/74/263161774.db2.gz BWGYMPMLLVFQMM-HNNXBMFYSA-N 2 2 275.396 1.245 20 30 CDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCC[C@@H](C)C1 ZINC000072873431 264273940 /nfs/dbraw/zinc/27/39/40/264273940.db2.gz JJVVMJLHEJGWAM-CYBMUJFWSA-N 2 2 263.389 1.581 20 30 CDEDLP C=C(C)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370812 424331315 /nfs/dbraw/zinc/33/13/15/424331315.db2.gz PZYZCQVHADCRDB-AWEZNQCLSA-N 2 2 294.443 1.420 20 30 CDEDLP C=C(C)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370812 424331321 /nfs/dbraw/zinc/33/13/21/424331321.db2.gz PZYZCQVHADCRDB-AWEZNQCLSA-N 2 2 294.443 1.420 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000548312467 289867874 /nfs/dbraw/zinc/86/78/74/289867874.db2.gz SSRMQUSCOAMNOM-SNVBAGLBSA-N 2 2 258.350 1.921 20 30 CDEDLP N#CCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000571407347 328119674 /nfs/dbraw/zinc/11/96/74/328119674.db2.gz CVQKLFPQTWXEOK-UHFFFAOYSA-N 2 2 251.374 1.117 20 30 CDEDLP CN(C)C(=[NH+]CC[N@@H+]1CCc2sccc2C1)N(C)C ZINC000262022971 328143664 /nfs/dbraw/zinc/14/36/64/328143664.db2.gz YNAVBFVWLKNRIL-UHFFFAOYSA-N 2 2 280.441 1.585 20 30 CDEDLP CN(C)C(=[NH+]CC[N@H+]1CCc2sccc2C1)N(C)C ZINC000262022971 328143666 /nfs/dbraw/zinc/14/36/66/328143666.db2.gz YNAVBFVWLKNRIL-UHFFFAOYSA-N 2 2 280.441 1.585 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000264149449 328157846 /nfs/dbraw/zinc/15/78/46/328157846.db2.gz YTEVAYYEUZVSSX-OAHLLOKOSA-N 2 2 290.411 1.778 20 30 CDEDLP CO[C@@H](C)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000272909766 328201547 /nfs/dbraw/zinc/20/15/47/328201547.db2.gz NTWYMXRFUKGTEV-NSHDSACASA-N 2 2 265.357 1.420 20 30 CDEDLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000579369642 324171570 /nfs/dbraw/zinc/17/15/70/324171570.db2.gz IMEGJJIRNWGKMX-CJNGLKHVSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000579369642 324171573 /nfs/dbraw/zinc/17/15/73/324171573.db2.gz IMEGJJIRNWGKMX-CJNGLKHVSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000579369642 324171577 /nfs/dbraw/zinc/17/15/77/324171577.db2.gz IMEGJJIRNWGKMX-CJNGLKHVSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000579369642 324171579 /nfs/dbraw/zinc/17/15/79/324171579.db2.gz IMEGJJIRNWGKMX-CJNGLKHVSA-N 2 2 275.396 1.864 20 30 CDEDLP C=CC[N@H+](Cc1cccs1)C[C@@](C)(O)C[NH2+]C ZINC000569612081 327212638 /nfs/dbraw/zinc/21/26/38/327212638.db2.gz SJJQTJBGKBPWDL-ZDUSSCGKSA-N 2 2 254.399 1.707 20 30 CDEDLP C=CC[N@@H+](Cc1cccs1)C[C@@](C)(O)C[NH2+]C ZINC000569612081 327212639 /nfs/dbraw/zinc/21/26/39/327212639.db2.gz SJJQTJBGKBPWDL-ZDUSSCGKSA-N 2 2 254.399 1.707 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423157172 330173360 /nfs/dbraw/zinc/17/33/60/330173360.db2.gz UTCXROLICMQMAY-FQUUOJAGSA-N 2 2 254.374 1.077 20 30 CDEDLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCOCC1 ZINC000442789732 330783684 /nfs/dbraw/zinc/78/36/84/330783684.db2.gz ZAFORYSFTIVWDP-STQMWFEESA-N 2 2 251.374 1.379 20 30 CDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491255731 332175539 /nfs/dbraw/zinc/17/55/39/332175539.db2.gz XWXWOHYLIDVHOJ-MRXNPFEDSA-N 2 2 299.418 1.284 20 30 CDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491255731 332175541 /nfs/dbraw/zinc/17/55/41/332175541.db2.gz XWXWOHYLIDVHOJ-MRXNPFEDSA-N 2 2 299.418 1.284 20 30 CDEDLP C#CC[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491631142 332253724 /nfs/dbraw/zinc/25/37/24/332253724.db2.gz QAMTWEXEOAZVDD-CQSZACIVSA-N 2 2 271.364 1.579 20 30 CDEDLP C#CC[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491631142 332253725 /nfs/dbraw/zinc/25/37/25/332253725.db2.gz QAMTWEXEOAZVDD-CQSZACIVSA-N 2 2 271.364 1.579 20 30 CDEDLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](C)C#N)CC1 ZINC000545916808 334005844 /nfs/dbraw/zinc/00/58/44/334005844.db2.gz FLFMDUUHFWAMCZ-GFCCVEGCSA-N 2 2 267.373 1.153 20 30 CDEDLP COCC#CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000677819705 482796104 /nfs/dbraw/zinc/79/61/04/482796104.db2.gz MXSMYASLSHHPAC-UHFFFAOYSA-N 2 2 259.353 1.608 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000068801061 525485671 /nfs/dbraw/zinc/48/56/71/525485671.db2.gz YVRIFBZQRSAMTB-CZUORRHYSA-N 2 2 272.396 1.455 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000068801061 525485684 /nfs/dbraw/zinc/48/56/84/525485684.db2.gz YVRIFBZQRSAMTB-CZUORRHYSA-N 2 2 272.396 1.455 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1C#N ZINC000261679325 536767609 /nfs/dbraw/zinc/76/76/09/536767609.db2.gz GPJLSZKZHWLTLN-MRXNPFEDSA-N 2 2 271.364 1.752 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1C#N ZINC000261679325 536767616 /nfs/dbraw/zinc/76/76/16/536767616.db2.gz GPJLSZKZHWLTLN-MRXNPFEDSA-N 2 2 271.364 1.752 20 30 CDEDLP C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000769443302 576354434 /nfs/dbraw/zinc/35/44/34/576354434.db2.gz VHFAXTXNMYMNAM-DOTOQJQBSA-N 2 2 270.376 1.882 20 30 CDEDLP C#CCOc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000769443302 576354436 /nfs/dbraw/zinc/35/44/36/576354436.db2.gz VHFAXTXNMYMNAM-DOTOQJQBSA-N 2 2 270.376 1.882 20 30 CDEDLP COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C#N ZINC000742368176 576597900 /nfs/dbraw/zinc/59/79/00/576597900.db2.gz XOUZZPGTGCMCEM-OAHLLOKOSA-N 2 2 289.379 1.113 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](C)(CC)C2)CC1 ZINC000748823394 576928033 /nfs/dbraw/zinc/92/80/33/576928033.db2.gz SIMFGKNRMQYALJ-KRWDZBQOSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](C)(CC)C2)CC1 ZINC000748823394 576928034 /nfs/dbraw/zinc/92/80/34/576928034.db2.gz SIMFGKNRMQYALJ-KRWDZBQOSA-N 2 2 291.439 1.276 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000749581775 576953484 /nfs/dbraw/zinc/95/34/84/576953484.db2.gz GLSQHBYQHGHYAE-UHFFFAOYSA-N 2 2 284.363 1.715 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000949043441 613010421 /nfs/dbraw/zinc/01/04/21/613010421.db2.gz TZDMRVACWKRYPS-MRXNPFEDSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000949043441 613010422 /nfs/dbraw/zinc/01/04/22/613010422.db2.gz TZDMRVACWKRYPS-MRXNPFEDSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000972448911 613080623 /nfs/dbraw/zinc/08/06/23/613080623.db2.gz 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285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028315328 693376892 /nfs/dbraw/zinc/37/68/92/693376892.db2.gz IBIVKPNFOMWONA-STQMWFEESA-N 2 2 285.819 1.271 20 30 CDEDLP CC(C)CCNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303786341 693390308 /nfs/dbraw/zinc/39/03/08/693390308.db2.gz RGGLWISAGLTSCG-OKILXGFUSA-N 2 2 298.475 1.825 20 30 CDEDLP CC(C)CCNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303786341 693390313 /nfs/dbraw/zinc/39/03/13/693390313.db2.gz RGGLWISAGLTSCG-OKILXGFUSA-N 2 2 298.475 1.825 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001030963767 693416349 /nfs/dbraw/zinc/41/63/49/693416349.db2.gz ADJHMGRJWWDCCU-UHFFFAOYSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001030963767 693416354 /nfs/dbraw/zinc/41/63/54/693416354.db2.gz ADJHMGRJWWDCCU-UHFFFAOYSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCN1CCN(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1=O ZINC000840026249 694767121 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C=C(Cl)C[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001377552130 975072937 /nfs/dbraw/zinc/07/29/37/975072937.db2.gz FFHFITRZNPCAGW-LBPRGKRZSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001377552130 975072944 /nfs/dbraw/zinc/07/29/44/975072944.db2.gz FFHFITRZNPCAGW-LBPRGKRZSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001377552130 975072947 /nfs/dbraw/zinc/07/29/47/975072947.db2.gz FFHFITRZNPCAGW-LBPRGKRZSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001390698113 976440630 /nfs/dbraw/zinc/44/06/30/976440630.db2.gz PKQCUFRQUOSFDJ-GFCCVEGCSA-N 2 2 284.791 1.510 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001381628494 976958912 /nfs/dbraw/zinc/95/89/12/976958912.db2.gz OXFIYBLPWLGJEV-CHWSQXEVSA-N 2 2 289.851 1.762 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001393114908 977709606 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N#CC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601963241 344297427 /nfs/dbraw/zinc/29/74/27/344297427.db2.gz DOJDGGZLWWNVLR-KRWDZBQOSA-N 2 2 285.391 1.517 20 30 CDEDLP N#CC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601963241 344297430 /nfs/dbraw/zinc/29/74/30/344297430.db2.gz DOJDGGZLWWNVLR-KRWDZBQOSA-N 2 2 285.391 1.517 20 30 CDEDLP C[C@H](C#N)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601968445 344299130 /nfs/dbraw/zinc/29/91/30/344299130.db2.gz ZQUGLYDAASUXJJ-ZBFHGGJFSA-N 2 2 273.380 1.373 20 30 CDEDLP C[C@H](C#N)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601968445 344299132 /nfs/dbraw/zinc/29/91/32/344299132.db2.gz ZQUGLYDAASUXJJ-ZBFHGGJFSA-N 2 2 273.380 1.373 20 30 CDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncccc3C#N)C2)CC1 ZINC000609574971 345813437 /nfs/dbraw/zinc/81/34/37/345813437.db2.gz IXVUXLOEKPAOQS-CQSZACIVSA-N 2 2 285.395 1.534 20 30 CDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncccc3C#N)C2)CC1 ZINC000609574971 345813440 /nfs/dbraw/zinc/81/34/40/345813440.db2.gz IXVUXLOEKPAOQS-CQSZACIVSA-N 2 2 285.395 1.534 20 30 CDEDLP CCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000264064051 362955258 /nfs/dbraw/zinc/95/52/58/362955258.db2.gz AOGVHFAZFWKRTL-SNVBAGLBSA-N 2 2 266.414 1.419 20 30 CDEDLP CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000264064051 362955262 /nfs/dbraw/zinc/95/52/62/362955262.db2.gz AOGVHFAZFWKRTL-SNVBAGLBSA-N 2 2 266.414 1.419 20 30 CDEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC)c1ccsc1 ZINC000264070128 362957708 /nfs/dbraw/zinc/95/77/08/362957708.db2.gz CXIISHPUOMGLFJ-LLVKDONJSA-N 2 2 254.403 1.665 20 30 CDEDLP [NH2+]=C(NCCCc1[nH]c2ccccc2[nH+]1)N1CCOCC1 ZINC000264118624 362972544 /nfs/dbraw/zinc/97/25/44/362972544.db2.gz UDGNIXOAFKWNTB-UHFFFAOYSA-N 2 2 287.367 1.142 20 30 CDEDLP Cn1c[nH+]cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292242860 198215059 /nfs/dbraw/zinc/21/50/59/198215059.db2.gz QIPUHCILIVPCDV-CQSZACIVSA-N 2 2 283.335 1.340 20 30 CDEDLP Cn1c[nH+]cc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292242860 198215060 /nfs/dbraw/zinc/21/50/60/198215060.db2.gz QIPUHCILIVPCDV-CQSZACIVSA-N 2 2 283.335 1.340 20 30 CDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCCC#N)CC1 ZINC000570388133 363598311 /nfs/dbraw/zinc/59/83/11/363598311.db2.gz MEQBBTXADHZKAZ-AWEZNQCLSA-N 2 2 265.401 1.865 20 30 CDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCCC#N)CC1 ZINC000570388133 363598318 /nfs/dbraw/zinc/59/83/18/363598318.db2.gz MEQBBTXADHZKAZ-AWEZNQCLSA-N 2 2 265.401 1.865 20 30 CDEDLP C[C@H]1C[N@H+](CCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000345952306 358960809 /nfs/dbraw/zinc/96/08/09/358960809.db2.gz NEHNRLAXSGTHED-JKSUJKDBSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000345952306 358960813 /nfs/dbraw/zinc/96/08/13/358960813.db2.gz NEHNRLAXSGTHED-JKSUJKDBSA-N 2 2 292.471 1.884 20 30 CDEDLP C#CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000267420698 359350539 /nfs/dbraw/zinc/35/05/39/359350539.db2.gz WIHNVARPCDCAJT-UHFFFAOYSA-N 2 2 287.407 1.382 20 30 CDEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C#N)nc2)CC1 ZINC000301567998 201072886 /nfs/dbraw/zinc/07/28/86/201072886.db2.gz QJDKYHILWKNHBN-UHFFFAOYSA-N 2 2 273.384 1.391 20 30 CDEDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369997 363987432 /nfs/dbraw/zinc/98/74/32/363987432.db2.gz FETCFFKJVAHJGH-IUODEOHRSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369997 363987435 /nfs/dbraw/zinc/98/74/35/363987435.db2.gz FETCFFKJVAHJGH-IUODEOHRSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369997 363987436 /nfs/dbraw/zinc/98/74/36/363987436.db2.gz FETCFFKJVAHJGH-IUODEOHRSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369997 363987438 /nfs/dbraw/zinc/98/74/38/363987438.db2.gz FETCFFKJVAHJGH-IUODEOHRSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000330884038 203351223 /nfs/dbraw/zinc/35/12/23/203351223.db2.gz PJJNONGDTKNALN-IAQYHMDHSA-N 2 2 277.343 1.415 20 30 CDEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000330884038 203351227 /nfs/dbraw/zinc/35/12/27/203351227.db2.gz PJJNONGDTKNALN-IAQYHMDHSA-N 2 2 277.343 1.415 20 30 CDEDLP C=CCCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000568741366 371229925 /nfs/dbraw/zinc/22/99/25/371229925.db2.gz RTDJAKFXWZYWMU-VGWMRTNUSA-N 2 2 284.444 1.791 20 30 CDEDLP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C#N ZINC000276984121 374764404 /nfs/dbraw/zinc/76/44/04/374764404.db2.gz UFWSRZJDSRSHBW-HUUCEWRRSA-N 2 2 258.369 1.613 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000282108824 378023645 /nfs/dbraw/zinc/02/36/45/378023645.db2.gz WUGGEAKWCGWYEC-KKUMJFAQSA-N 2 2 288.395 1.553 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000282108824 378023649 /nfs/dbraw/zinc/02/36/49/378023649.db2.gz WUGGEAKWCGWYEC-KKUMJFAQSA-N 2 2 288.395 1.553 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000283838125 378142646 /nfs/dbraw/zinc/14/26/46/378142646.db2.gz HGCMMUHRYXJZQU-UHFFFAOYSA-N 2 2 282.347 1.115 20 30 CDEDLP CN1CC[NH+]=C1NC[C@@H](c1ccsc1)[NH+](C)C ZINC000262645449 391806912 /nfs/dbraw/zinc/80/69/12/391806912.db2.gz IZEOYOPDRFJHSW-NSHDSACASA-N 2 2 252.387 1.242 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372988984 391869589 /nfs/dbraw/zinc/86/95/89/391869589.db2.gz HCGWHDTVQLHXGY-STQMWFEESA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372988984 391869591 /nfs/dbraw/zinc/86/95/91/391869591.db2.gz HCGWHDTVQLHXGY-STQMWFEESA-N 2 2 253.390 1.093 20 30 CDEDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(C#N)cs1 ZINC000228726488 140196811 /nfs/dbraw/zinc/19/68/11/140196811.db2.gz DVJRBNNZZVCEFB-LBPRGKRZSA-N 2 2 253.371 1.022 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000660599585 413282561 /nfs/dbraw/zinc/28/25/61/413282561.db2.gz KTVKTYLSVQSTGI-UHFFFAOYSA-N 2 2 291.399 1.592 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000660599585 413282570 /nfs/dbraw/zinc/28/25/70/413282570.db2.gz KTVKTYLSVQSTGI-UHFFFAOYSA-N 2 2 291.399 1.592 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000040490863 174291968 /nfs/dbraw/zinc/29/19/68/174291968.db2.gz MECKDIILOVQJEU-CQSZACIVSA-N 2 2 259.353 1.017 20 30 CDEDLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000293113165 263137798 /nfs/dbraw/zinc/13/77/98/263137798.db2.gz OTVVILFPDCYWJZ-KBPBESRZSA-N 2 2 286.379 1.904 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000340506855 263178815 /nfs/dbraw/zinc/17/88/15/263178815.db2.gz UMGJGFLGBRJUBT-OLMNPRSZSA-N 2 2 299.418 1.687 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000340506855 263178816 /nfs/dbraw/zinc/17/88/16/263178816.db2.gz UMGJGFLGBRJUBT-OLMNPRSZSA-N 2 2 299.418 1.687 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371349090 267393846 /nfs/dbraw/zinc/39/38/46/267393846.db2.gz FQFHAHVLQCVLHB-GXTWGEPZSA-N 2 2 271.836 1.697 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371349090 267393849 /nfs/dbraw/zinc/39/38/49/267393849.db2.gz FQFHAHVLQCVLHB-GXTWGEPZSA-N 2 2 271.836 1.697 20 30 CDEDLP C#CC[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277068111 275380631 /nfs/dbraw/zinc/38/06/31/275380631.db2.gz WUTPADPNOQKLDP-RDJZCZTQSA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277068111 275380632 /nfs/dbraw/zinc/38/06/32/275380632.db2.gz WUTPADPNOQKLDP-RDJZCZTQSA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277068111 275380633 /nfs/dbraw/zinc/38/06/33/275380633.db2.gz WUTPADPNOQKLDP-RDJZCZTQSA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277068111 275380634 /nfs/dbraw/zinc/38/06/34/275380634.db2.gz WUTPADPNOQKLDP-RDJZCZTQSA-N 2 2 299.418 1.331 20 30 CDEDLP COC[C@@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCC[NH2+]1 ZINC000423423393 277256792 /nfs/dbraw/zinc/25/67/92/277256792.db2.gz ZLBJQANYMIGXRE-SJORKVTESA-N 2 2 285.391 1.904 20 30 CDEDLP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)NC1CCCCC1 ZINC000262021307 328143711 /nfs/dbraw/zinc/14/37/11/328143711.db2.gz XZSHWDWONFKKHH-UHFFFAOYSA-N 2 2 275.400 1.956 20 30 CDEDLP N#Cc1cccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000578878427 324046312 /nfs/dbraw/zinc/04/63/12/324046312.db2.gz VKYSWNOPISPUMM-DLBZAZTESA-N 2 2 285.391 1.457 20 30 CDEDLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185849205 329333420 /nfs/dbraw/zinc/33/34/20/329333420.db2.gz WYFVNWHRBQOXCA-UONOGXRCSA-N 2 2 253.390 1.627 20 30 CDEDLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185849205 329333421 /nfs/dbraw/zinc/33/34/21/329333421.db2.gz WYFVNWHRBQOXCA-UONOGXRCSA-N 2 2 253.390 1.627 20 30 CDEDLP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCSCC1 ZINC000262011877 329997142 /nfs/dbraw/zinc/99/71/42/329997142.db2.gz UKKBFHUCPLXFOZ-UHFFFAOYSA-N 2 2 293.440 1.125 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000491616451 332243637 /nfs/dbraw/zinc/24/36/37/332243637.db2.gz JBLVXHKNPTZFNY-HOTGVXAUSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000491616451 332243639 /nfs/dbraw/zinc/24/36/39/332243639.db2.gz JBLVXHKNPTZFNY-HOTGVXAUSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000730283656 574909621 /nfs/dbraw/zinc/90/96/21/574909621.db2.gz SMXZZYHRHMNMBI-KRWDZBQOSA-N 2 2 297.402 1.216 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000730283656 574909624 /nfs/dbraw/zinc/90/96/24/574909624.db2.gz SMXZZYHRHMNMBI-KRWDZBQOSA-N 2 2 297.402 1.216 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1C(C)C ZINC000730282296 574909757 /nfs/dbraw/zinc/90/97/57/574909757.db2.gz DLIPFATULLLZNI-AWEZNQCLSA-N 2 2 288.395 1.220 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1C(C)C ZINC000730282296 574909760 /nfs/dbraw/zinc/90/97/60/574909760.db2.gz DLIPFATULLLZNI-AWEZNQCLSA-N 2 2 288.395 1.220 20 30 CDEDLP C#CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000748435013 576912436 /nfs/dbraw/zinc/91/24/36/576912436.db2.gz DWMXJKYWYAZQBG-MRXNPFEDSA-N 2 2 291.439 1.180 20 30 CDEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000748435013 576912438 /nfs/dbraw/zinc/91/24/38/576912438.db2.gz DWMXJKYWYAZQBG-MRXNPFEDSA-N 2 2 291.439 1.180 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH+](CCCC)CCCC)CC1 ZINC000748816932 576927402 /nfs/dbraw/zinc/92/74/02/576927402.db2.gz WUPUKDQSNORHCG-UHFFFAOYSA-N 2 2 293.455 1.666 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000949624117 613008851 /nfs/dbraw/zinc/00/88/51/613008851.db2.gz XPULHOOVMLDSQL-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969971853 613119090 /nfs/dbraw/zinc/11/90/90/613119090.db2.gz DNABEOZFICXWOO-LLVKDONJSA-N 2 2 282.347 1.246 20 30 CDEDLP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977658866 613298857 /nfs/dbraw/zinc/29/88/57/613298857.db2.gz VNXVEMNRPMVPGH-CABCVRRESA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977658866 613298858 /nfs/dbraw/zinc/29/88/58/613298858.db2.gz VNXVEMNRPMVPGH-CABCVRRESA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658866 613298860 /nfs/dbraw/zinc/29/88/60/613298860.db2.gz VNXVEMNRPMVPGH-CABCVRRESA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658866 613298862 /nfs/dbraw/zinc/29/88/62/613298862.db2.gz VNXVEMNRPMVPGH-CABCVRRESA-N 2 2 291.439 1.321 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000969436889 613348251 /nfs/dbraw/zinc/34/82/51/613348251.db2.gz LFVDRQSGEGAAHG-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981548186 613350928 /nfs/dbraw/zinc/35/09/28/613350928.db2.gz OXUVCSNOEGWQGF-KBPBESRZSA-N 2 2 276.384 1.476 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000950357029 613654365 /nfs/dbraw/zinc/65/43/65/613654365.db2.gz HCABZKMUEFSIJZ-TZMCWYRMSA-N 2 2 265.401 1.045 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000950357029 613654367 /nfs/dbraw/zinc/65/43/67/613654367.db2.gz HCABZKMUEFSIJZ-TZMCWYRMSA-N 2 2 265.401 1.045 20 30 CDEDLP COc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1C#N ZINC000925618818 617564124 /nfs/dbraw/zinc/56/41/24/617564124.db2.gz WMKBGDNKBVGBJU-SMDDNHRTSA-N 2 2 259.353 1.797 20 30 CDEDLP C[C@H]1CC(N=NC2=[NH+]CCN2)C[N@@H+]1Cc1ccccc1 ZINC000841660876 618144555 /nfs/dbraw/zinc/14/45/55/618144555.db2.gz JZZCVMYUQFKJRI-LBPRGKRZSA-N 2 2 271.368 1.186 20 30 CDEDLP C[C@H]1CC(N=NC2=[NH+]CCN2)C[N@H+]1Cc1ccccc1 ZINC000841660876 618144568 /nfs/dbraw/zinc/14/45/68/618144568.db2.gz JZZCVMYUQFKJRI-LBPRGKRZSA-N 2 2 271.368 1.186 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)OCC)o1 ZINC000894863335 619107092 /nfs/dbraw/zinc/10/70/92/619107092.db2.gz ZEIIRTSQHVTOKF-UHFFFAOYSA-N 2 2 278.352 1.501 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)OCC)o1 ZINC000894863335 619107093 /nfs/dbraw/zinc/10/70/93/619107093.db2.gz ZEIIRTSQHVTOKF-UHFFFAOYSA-N 2 2 278.352 1.501 20 30 CDEDLP C[C@@H]([NH2+]CCNc1ccc(C#N)cn1)[C@H]1CCC[NH2+]1 ZINC000925893454 695515666 /nfs/dbraw/zinc/51/56/66/695515666.db2.gz OFUMWDWDHNYQCU-DGCLKSJQSA-N 2 2 259.357 1.095 20 30 CDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649611 695208830 /nfs/dbraw/zinc/20/88/30/695208830.db2.gz PPUUDIPYBSMBGK-CYBMUJFWSA-N 2 2 288.395 1.243 20 30 CDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649611 695208832 /nfs/dbraw/zinc/20/88/32/695208832.db2.gz PPUUDIPYBSMBGK-CYBMUJFWSA-N 2 2 288.395 1.243 20 30 CDEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]12 ZINC001026282129 695374185 /nfs/dbraw/zinc/37/41/85/695374185.db2.gz OHWVNVMGYXEQOT-BPLDGKMQSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]12 ZINC001026282129 695374188 /nfs/dbraw/zinc/37/41/88/695374188.db2.gz OHWVNVMGYXEQOT-BPLDGKMQSA-N 2 2 288.395 1.355 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001000695063 695427990 /nfs/dbraw/zinc/42/79/90/695427990.db2.gz LFKCOJRVASRXKE-CYBMUJFWSA-N 2 2 290.411 1.844 20 30 CDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033209238 695745989 /nfs/dbraw/zinc/74/59/89/695745989.db2.gz BYWKFJSAMXNGNR-HIFRSBDPSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033209238 695745992 /nfs/dbraw/zinc/74/59/92/695745992.db2.gz BYWKFJSAMXNGNR-HIFRSBDPSA-N 2 2 288.395 1.164 20 30 CDEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000844172716 695882778 /nfs/dbraw/zinc/88/27/78/695882778.db2.gz WKPJVEXHPKCUFP-OLZOCXBDSA-N 2 2 291.399 1.435 20 30 CDEDLP C=C(C)CC[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001031267411 695938038 /nfs/dbraw/zinc/93/80/38/695938038.db2.gz GIDAOVUYGQHVTO-UHFFFAOYSA-N 2 2 288.395 1.528 20 30 CDEDLP C[C@@H]1CNC(NN=C2CC[N@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000779793257 695946586 /nfs/dbraw/zinc/94/65/86/695946586.db2.gz YWFMFCVTFGCKLZ-GFCCVEGCSA-N 2 2 271.368 1.186 20 30 CDEDLP C[C@@H]1CNC(NN=C2CC[N@@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000779793257 695946588 /nfs/dbraw/zinc/94/65/88/695946588.db2.gz YWFMFCVTFGCKLZ-GFCCVEGCSA-N 2 2 271.368 1.186 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044748527 695980450 /nfs/dbraw/zinc/98/04/50/695980450.db2.gz FBAZJQAKNQKAFN-OLZOCXBDSA-N 2 2 276.384 1.497 20 30 CDEDLP 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C=CCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000849013329 725418115 /nfs/dbraw/zinc/41/81/15/725418115.db2.gz DTCJQTJMRJALLF-UHFFFAOYSA-N 2 2 255.325 1.672 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000988931620 725435484 /nfs/dbraw/zinc/43/54/84/725435484.db2.gz AYGUCFGFGXSWRH-JSGCOSHPSA-N 2 2 276.384 1.497 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000988931620 725435486 /nfs/dbraw/zinc/43/54/86/725435486.db2.gz AYGUCFGFGXSWRH-JSGCOSHPSA-N 2 2 276.384 1.497 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994298777 725541506 /nfs/dbraw/zinc/54/15/06/725541506.db2.gz QBPZOXYVOABAGH-ZIAGYGMSSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994298777 725541507 /nfs/dbraw/zinc/54/15/07/725541507.db2.gz QBPZOXYVOABAGH-ZIAGYGMSSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089039818 912519275 /nfs/dbraw/zinc/51/92/75/912519275.db2.gz IEPIRVDFRNNIGP-OLZOCXBDSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089039818 912519289 /nfs/dbraw/zinc/51/92/89/912519289.db2.gz IEPIRVDFRNNIGP-OLZOCXBDSA-N 2 2 285.819 1.414 20 30 CDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881225 913820957 /nfs/dbraw/zinc/82/09/57/913820957.db2.gz LVQVLCLUWZSNNN-CYBMUJFWSA-N 2 2 276.384 1.240 20 30 CDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350762 914078978 /nfs/dbraw/zinc/07/89/78/914078978.db2.gz JTLIAGIVKICPLA-ZDUSSCGKSA-N 2 2 290.411 1.549 20 30 CDEDLP C=CCC[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528810 896708314 /nfs/dbraw/zinc/70/83/14/896708314.db2.gz LIYPPWLVPRPKHX-UHFFFAOYSA-N 2 2 276.384 1.404 20 30 CDEDLP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001482063840 902582167 /nfs/dbraw/zinc/58/21/67/902582167.db2.gz WQNKHBGDTVDWIO-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001087829516 905888663 /nfs/dbraw/zinc/88/86/63/905888663.db2.gz HYIJEULJDSGMST-UONOGXRCSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001087829516 905888670 /nfs/dbraw/zinc/88/86/70/905888670.db2.gz HYIJEULJDSGMST-UONOGXRCSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088434408 907176785 /nfs/dbraw/zinc/17/67/85/907176785.db2.gz YXZUWSJTUZMAAE-OAHLLOKOSA-N 2 2 290.411 1.820 20 30 CDEDLP C=CCC[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001203337611 911027550 /nfs/dbraw/zinc/02/75/50/911027550.db2.gz NJEJSBGTJAFNTL-UHFFFAOYSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185370260 919580550 /nfs/dbraw/zinc/58/05/50/919580550.db2.gz HLOCPUBRGKINLZ-UONOGXRCSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092514 920362945 /nfs/dbraw/zinc/36/29/45/920362945.db2.gz WVVJBGWFQJBYLA-UONOGXRCSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078829146 920478752 /nfs/dbraw/zinc/47/87/52/920478752.db2.gz CNEQGNGKTXBYMH-OLZOCXBDSA-N 2 2 274.368 1.086 20 30 CDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001486473320 921049717 /nfs/dbraw/zinc/04/97/17/921049717.db2.gz LVGCVLVSQNHONM-UHFFFAOYSA-N 2 2 296.802 1.605 20 30 CDEDLP N#Cc1ccc(O)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205580230 922936408 /nfs/dbraw/zinc/93/64/08/922936408.db2.gz RPRNEEPDKRYIIA-HNNXBMFYSA-N 2 2 277.343 1.917 20 30 CDEDLP N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205580230 922936415 /nfs/dbraw/zinc/93/64/15/922936415.db2.gz RPRNEEPDKRYIIA-HNNXBMFYSA-N 2 2 277.343 1.917 20 30 CDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193461720 923693797 /nfs/dbraw/zinc/69/37/97/923693797.db2.gz JGGFREIJTKJXIQ-CYBMUJFWSA-N 2 2 288.395 1.243 20 30 CDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193461720 923693808 /nfs/dbraw/zinc/69/38/08/923693808.db2.gz JGGFREIJTKJXIQ-CYBMUJFWSA-N 2 2 288.395 1.243 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079967738 924463008 /nfs/dbraw/zinc/46/30/08/924463008.db2.gz WEIBJNQHKCHLKP-BNOWGMLFSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079967738 924463011 /nfs/dbraw/zinc/46/30/11/924463011.db2.gz WEIBJNQHKCHLKP-BNOWGMLFSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001079967738 924463012 /nfs/dbraw/zinc/46/30/12/924463012.db2.gz WEIBJNQHKCHLKP-BNOWGMLFSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079967738 924463016 /nfs/dbraw/zinc/46/30/16/924463016.db2.gz WEIBJNQHKCHLKP-BNOWGMLFSA-N 2 2 299.846 1.660 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488210 925266725 /nfs/dbraw/zinc/26/67/25/925266725.db2.gz QDLUXVXDIUVQIQ-GDBMZVCRSA-N 2 2 294.358 1.114 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488210 925266730 /nfs/dbraw/zinc/26/67/30/925266730.db2.gz QDLUXVXDIUVQIQ-GDBMZVCRSA-N 2 2 294.358 1.114 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031079 937037430 /nfs/dbraw/zinc/03/74/30/937037430.db2.gz RCJAFBVXAFCBRW-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031079 937037433 /nfs/dbraw/zinc/03/74/33/937037433.db2.gz RCJAFBVXAFCBRW-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031079 937037435 /nfs/dbraw/zinc/03/74/35/937037435.db2.gz RCJAFBVXAFCBRW-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031079 937037438 /nfs/dbraw/zinc/03/74/38/937037438.db2.gz RCJAFBVXAFCBRW-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102203932 937044655 /nfs/dbraw/zinc/04/46/55/937044655.db2.gz NDFIOWPRMZJBBR-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102203932 937044658 /nfs/dbraw/zinc/04/46/58/937044658.db2.gz NDFIOWPRMZJBBR-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP N#Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c2ccccc12 ZINC001169067418 927684657 /nfs/dbraw/zinc/68/46/57/927684657.db2.gz SMBFMPUGTJJLTB-GFCCVEGCSA-N 2 2 293.330 1.154 20 30 CDEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228348 929657207 /nfs/dbraw/zinc/65/72/07/929657207.db2.gz NNZJCMXESYYRLM-STQMWFEESA-N 2 2 276.384 1.239 20 30 CDEDLP C[C@H](Cc1cccc(C#N)c1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001171183484 931824057 /nfs/dbraw/zinc/82/40/57/931824057.db2.gz FHLPJYIRZZARKQ-CYBMUJFWSA-N 2 2 285.395 1.261 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001091107017 931824128 /nfs/dbraw/zinc/82/41/28/931824128.db2.gz ZRLXTVMYLSCYHX-ROKHWSDSSA-N 2 2 288.395 1.116 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146754347 932305829 /nfs/dbraw/zinc/30/58/29/932305829.db2.gz DUUBWEDXHXKBJJ-QWHCGFSZSA-N 2 2 264.373 1.332 20 30 CDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652985 934884810 /nfs/dbraw/zinc/88/48/10/934884810.db2.gz WTCQEBMCEJYPCD-FOLVSLTJSA-N 2 2 288.395 1.286 20 30 CDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652985 934884814 /nfs/dbraw/zinc/88/48/14/934884814.db2.gz WTCQEBMCEJYPCD-FOLVSLTJSA-N 2 2 288.395 1.286 20 30 CDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955717 938681777 /nfs/dbraw/zinc/68/17/77/938681777.db2.gz UBWIAOXVGWGHEC-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955717 938681778 /nfs/dbraw/zinc/68/17/78/938681778.db2.gz UBWIAOXVGWGHEC-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP N#CCc1ccc(NCC[C@H]2CCOC23C[NH2+]C3)[nH+]c1 ZINC001163080430 939193326 /nfs/dbraw/zinc/19/33/26/939193326.db2.gz GBGUHDVEBFIXIP-ZDUSSCGKSA-N 2 2 272.352 1.328 20 30 CDEDLP N#Cc1ccc2cc[nH+]c(N3CCO[C@@H](C[NH3+])C3)c2c1 ZINC001166940516 939654506 /nfs/dbraw/zinc/65/45/06/939654506.db2.gz KOPQRTCOTYOLKH-ZDUSSCGKSA-N 2 2 268.320 1.270 20 30 CDEDLP C#CC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206430608 940038395 /nfs/dbraw/zinc/03/83/95/940038395.db2.gz AHRWMTQKGHSPAF-AWEZNQCLSA-N 2 2 288.395 1.296 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924799 940263505 /nfs/dbraw/zinc/26/35/05/940263505.db2.gz RDKNMQLNZYMACV-CYBMUJFWSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305402 940681183 /nfs/dbraw/zinc/68/11/83/940681183.db2.gz XBQJZFWYHNJHMO-LBPRGKRZSA-N 2 2 262.357 1.109 20 30 CDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214964535 940848911 /nfs/dbraw/zinc/84/89/11/940848911.db2.gz DLNIYCVFSKUJDW-MLGOLLRUSA-N 2 2 296.374 1.636 20 30 CDEDLP N#CCc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)ccc1F ZINC001219518574 941351949 /nfs/dbraw/zinc/35/19/49/941351949.db2.gz QEFZQTCQKLGJKN-CYBMUJFWSA-N 2 2 287.298 1.123 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229038134 942410595 /nfs/dbraw/zinc/41/05/95/942410595.db2.gz PTVSFASHBNEZLT-NWANDNLSSA-N 2 2 290.411 1.791 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001229038134 942410597 /nfs/dbraw/zinc/41/05/97/942410597.db2.gz PTVSFASHBNEZLT-NWANDNLSSA-N 2 2 290.411 1.791 20 30 CDEDLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C#N)cc3OC)C[C@@H]2C1 ZINC001231622203 942947893 /nfs/dbraw/zinc/94/78/93/942947893.db2.gz RHTWHIBUESBLDY-HOTGVXAUSA-N 2 2 285.391 1.950 20 30 CDEDLP C[NH+](C)CCCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001232845721 943418511 /nfs/dbraw/zinc/41/85/11/943418511.db2.gz MJLGIVZSDNVFQH-UHFFFAOYSA-N 2 2 292.452 1.689 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976246 943704778 /nfs/dbraw/zinc/70/47/78/943704778.db2.gz CZYBFVHBPXPTBE-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976246 943704782 /nfs/dbraw/zinc/70/47/82/943704782.db2.gz CZYBFVHBPXPTBE-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235058908 944033652 /nfs/dbraw/zinc/03/36/52/944033652.db2.gz ARMJBJCPDRESCM-MRXNPFEDSA-N 2 2 270.380 1.004 20 30 CDEDLP Cc1cc(C#N)ccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235058908 944033656 /nfs/dbraw/zinc/03/36/56/944033656.db2.gz ARMJBJCPDRESCM-MRXNPFEDSA-N 2 2 270.380 1.004 20 30 CDEDLP N#Cc1cccc2c(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)c[nH]c21 ZINC001235987445 944351810 /nfs/dbraw/zinc/35/18/10/944351810.db2.gz FWPCLPAWQSGZDP-BBRMVZONSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1cccc2c(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)c[nH]c21 ZINC001235987445 944351813 /nfs/dbraw/zinc/35/18/13/944351813.db2.gz FWPCLPAWQSGZDP-BBRMVZONSA-N 2 2 266.348 1.963 20 30 CDEDLP Cc1cc(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)cc[nH+]1 ZINC001237464230 944793943 /nfs/dbraw/zinc/79/39/43/944793943.db2.gz SMVAAPOCQDEBPX-UHFFFAOYSA-N 2 2 293.374 1.979 20 30 CDEDLP CC[C@@H](CC#N)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001255155778 947755129 /nfs/dbraw/zinc/75/51/29/947755129.db2.gz BCWGBFXOORJGKL-RYUDHWBXSA-N 2 2 284.404 1.858 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001246029214 947909946 /nfs/dbraw/zinc/90/99/46/947909946.db2.gz PXENARXRRMBAMO-IRXDYDNUSA-N 2 2 297.487 1.687 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001246029214 947909953 /nfs/dbraw/zinc/90/99/53/947909953.db2.gz PXENARXRRMBAMO-IRXDYDNUSA-N 2 2 297.487 1.687 20 30 CDEDLP N#Cc1ccccc1N1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246532412 948232547 /nfs/dbraw/zinc/23/25/47/948232547.db2.gz ZTWSCLMBMPMWGC-UHFFFAOYSA-N 2 2 270.380 1.432 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001419122890 961398845 /nfs/dbraw/zinc/39/88/45/961398845.db2.gz WXHRLVZXSJSDNP-CYBMUJFWSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001419122890 961398857 /nfs/dbraw/zinc/39/88/57/961398857.db2.gz WXHRLVZXSJSDNP-CYBMUJFWSA-N 2 2 299.846 1.756 20 30 CDEDLP C#CC[NH+]1CCC(c2nc([C@@H]([NH3+])c3ccccc3)no2)CC1 ZINC001345932593 964864624 /nfs/dbraw/zinc/86/46/24/964864624.db2.gz XMYPHRURBQBNJJ-HNNXBMFYSA-N 2 2 296.374 1.930 20 30 CDEDLP COc1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)ccc1C#N ZINC000591281570 342624168 /nfs/dbraw/zinc/62/41/68/342624168.db2.gz AAWZEZAYZJAJRH-STQMWFEESA-N 2 2 263.316 1.356 20 30 CDEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000591764713 342645878 /nfs/dbraw/zinc/64/58/78/342645878.db2.gz MRQAUOCZYPVUCM-HNNXBMFYSA-N 2 2 273.380 1.373 20 30 CDEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000591764713 342645879 /nfs/dbraw/zinc/64/58/79/342645879.db2.gz MRQAUOCZYPVUCM-HNNXBMFYSA-N 2 2 273.380 1.373 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000602474312 342166433 /nfs/dbraw/zinc/16/64/33/342166433.db2.gz TXHNIIFOGILVEX-CQSZACIVSA-N 2 2 270.380 1.871 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000602474312 342166434 /nfs/dbraw/zinc/16/64/34/342166434.db2.gz TXHNIIFOGILVEX-CQSZACIVSA-N 2 2 270.380 1.871 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1C ZINC000619719850 349869852 /nfs/dbraw/zinc/86/98/52/349869852.db2.gz HSNXLHXVLPKJEM-GFCCVEGCSA-N 2 2 251.330 1.241 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000619719850 349869854 /nfs/dbraw/zinc/86/98/54/349869854.db2.gz HSNXLHXVLPKJEM-GFCCVEGCSA-N 2 2 251.330 1.241 20 30 CDEDLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000599084324 343958103 /nfs/dbraw/zinc/95/81/03/343958103.db2.gz ANNPACARTPTVFB-SWLSCSKDSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000599084324 343958104 /nfs/dbraw/zinc/95/81/04/343958104.db2.gz ANNPACARTPTVFB-SWLSCSKDSA-N 2 2 259.353 1.275 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000397689066 345252065 /nfs/dbraw/zinc/25/20/65/345252065.db2.gz WMEGFCBIRZPIRU-GXTWGEPZSA-N 2 2 251.374 1.067 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000397689066 345252068 /nfs/dbraw/zinc/25/20/68/345252068.db2.gz WMEGFCBIRZPIRU-GXTWGEPZSA-N 2 2 251.374 1.067 20 30 CDEDLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000397689066 345252070 /nfs/dbraw/zinc/25/20/70/345252070.db2.gz WMEGFCBIRZPIRU-GXTWGEPZSA-N 2 2 251.374 1.067 20 30 CDEDLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000397689066 345252072 /nfs/dbraw/zinc/25/20/72/345252072.db2.gz WMEGFCBIRZPIRU-GXTWGEPZSA-N 2 2 251.374 1.067 20 30 CDEDLP Cc1ccnc(NCC[NH+]2CCC([NH+](C)C)CC2)c1C#N ZINC000273275489 192096088 /nfs/dbraw/zinc/09/60/88/192096088.db2.gz CIMYFBWTGWHJND-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)n1)C[NH+]1CCCC1 ZINC000602517101 350117189 /nfs/dbraw/zinc/11/71/89/350117189.db2.gz BZDBGKWWDYBHJB-ZDUSSCGKSA-N 2 2 258.369 1.775 20 30 CDEDLP CCCCNC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000264084160 362961951 /nfs/dbraw/zinc/96/19/51/362961951.db2.gz INSUGNXNEFOTSY-UHFFFAOYSA-N 2 2 262.401 1.823 20 30 CDEDLP CCCCNC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000264084160 362961955 /nfs/dbraw/zinc/96/19/55/362961955.db2.gz INSUGNXNEFOTSY-UHFFFAOYSA-N 2 2 262.401 1.823 20 30 CDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1C ZINC000329595506 538589928 /nfs/dbraw/zinc/58/99/28/538589928.db2.gz VLKOETDYTOJIKF-SDDRHHMPSA-N 2 2 276.384 1.954 20 30 CDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1C ZINC000329595506 538589942 /nfs/dbraw/zinc/58/99/42/538589942.db2.gz VLKOETDYTOJIKF-SDDRHHMPSA-N 2 2 276.384 1.954 20 30 CDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1C ZINC000329595506 538589953 /nfs/dbraw/zinc/58/99/53/538589953.db2.gz VLKOETDYTOJIKF-SDDRHHMPSA-N 2 2 276.384 1.954 20 30 CDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1C ZINC000329595506 538589958 /nfs/dbraw/zinc/58/99/58/538589958.db2.gz VLKOETDYTOJIKF-SDDRHHMPSA-N 2 2 276.384 1.954 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1C#N ZINC000261865388 357337141 /nfs/dbraw/zinc/33/71/41/357337141.db2.gz YLGTXOMKSHKSSN-LSDHHAIUSA-N 2 2 271.364 1.751 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1C#N ZINC000261865388 357337147 /nfs/dbraw/zinc/33/71/47/357337147.db2.gz YLGTXOMKSHKSSN-LSDHHAIUSA-N 2 2 271.364 1.751 20 30 CDEDLP C=CCOCCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000348049034 359799450 /nfs/dbraw/zinc/79/94/50/359799450.db2.gz ICXCABQTKCNTFA-UHFFFAOYSA-N 2 2 291.395 1.805 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000515242381 360461164 /nfs/dbraw/zinc/46/11/64/360461164.db2.gz LDSKZFLHXRWFAK-UHFFFAOYSA-N 2 2 276.384 1.119 20 30 CDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000131486817 369087359 /nfs/dbraw/zinc/08/73/59/369087359.db2.gz GZBGRWCXPVGIEB-UHFFFAOYSA-N 2 2 294.443 1.412 20 30 CDEDLP C=CCOCCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000571819044 377545820 /nfs/dbraw/zinc/54/58/20/377545820.db2.gz ZDYWTHRSXODIOF-OAHLLOKOSA-N 2 2 282.428 1.764 20 30 CDEDLP C=CCOCCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000571819044 377545827 /nfs/dbraw/zinc/54/58/27/377545827.db2.gz ZDYWTHRSXODIOF-OAHLLOKOSA-N 2 2 282.428 1.764 20 30 CDEDLP C#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000290230847 378369267 /nfs/dbraw/zinc/36/92/67/378369267.db2.gz FWWKMPZGRYEJEN-INIZCTEOSA-N 2 2 285.391 1.097 20 30 CDEDLP C#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000290230847 378369270 /nfs/dbraw/zinc/36/92/70/378369270.db2.gz FWWKMPZGRYEJEN-INIZCTEOSA-N 2 2 285.391 1.097 20 30 CDEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000120967454 379340924 /nfs/dbraw/zinc/34/09/24/379340924.db2.gz JJKCMMCCAJAECN-AWEZNQCLSA-N 2 2 273.380 1.950 20 30 CDEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000120967454 379340927 /nfs/dbraw/zinc/34/09/27/379340927.db2.gz JJKCMMCCAJAECN-AWEZNQCLSA-N 2 2 273.380 1.950 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000346095032 391331998 /nfs/dbraw/zinc/33/19/98/391331998.db2.gz IONBSOKWQMEVGS-UHFFFAOYSA-N 3 2 295.471 1.727 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC2CC[NH+](CCOC)CC2)CC1 ZINC000346095032 391332001 /nfs/dbraw/zinc/33/20/01/391332001.db2.gz IONBSOKWQMEVGS-UHFFFAOYSA-N 2 2 295.471 1.727 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434524 391300252 /nfs/dbraw/zinc/30/02/52/391300252.db2.gz SJFVRAVBXHITJC-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434524 391300253 /nfs/dbraw/zinc/30/02/53/391300253.db2.gz SJFVRAVBXHITJC-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339434524 391300256 /nfs/dbraw/zinc/30/02/56/391300256.db2.gz SJFVRAVBXHITJC-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339434524 391300259 /nfs/dbraw/zinc/30/02/59/391300259.db2.gz SJFVRAVBXHITJC-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP CC(C)(C#N)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000345737229 391309053 /nfs/dbraw/zinc/30/90/53/391309053.db2.gz NTDCKYXMUFOIES-UHFFFAOYSA-N 2 2 292.427 1.166 20 30 CDEDLP C[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261955890 391740556 /nfs/dbraw/zinc/74/05/56/391740556.db2.gz ITMPQBKRMPXWTO-CBBWQLFWSA-N 2 2 289.427 1.997 20 30 CDEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404147246 392756607 /nfs/dbraw/zinc/75/66/07/392756607.db2.gz OZCKVFGTMHSYDC-CQSZACIVSA-N 2 2 276.359 1.033 20 30 CDEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404147246 392756614 /nfs/dbraw/zinc/75/66/14/392756614.db2.gz OZCKVFGTMHSYDC-CQSZACIVSA-N 2 2 276.359 1.033 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252668448 140322400 /nfs/dbraw/zinc/32/24/00/140322400.db2.gz XDYNYADYOYMNFJ-JKSUJKDBSA-N 2 2 271.364 1.511 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252668448 140322402 /nfs/dbraw/zinc/32/24/02/140322402.db2.gz XDYNYADYOYMNFJ-JKSUJKDBSA-N 2 2 271.364 1.511 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1C#N ZINC000261865382 140399821 /nfs/dbraw/zinc/39/98/21/140399821.db2.gz YLGTXOMKSHKSSN-GJZGRUSLSA-N 2 2 271.364 1.751 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1C#N ZINC000261865382 140399823 /nfs/dbraw/zinc/39/98/23/140399823.db2.gz YLGTXOMKSHKSSN-GJZGRUSLSA-N 2 2 271.364 1.751 20 30 CDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000347455258 226161112 /nfs/dbraw/zinc/16/11/12/226161112.db2.gz DPFIPKCCRGNJKJ-ZDUSSCGKSA-N 2 2 258.369 1.978 20 30 CDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000347455258 226161114 /nfs/dbraw/zinc/16/11/14/226161114.db2.gz DPFIPKCCRGNJKJ-ZDUSSCGKSA-N 2 2 258.369 1.978 20 30 CDEDLP C#CCNC(=O)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000491119882 261336330 /nfs/dbraw/zinc/33/63/30/261336330.db2.gz KGBCUOZVNNKTKB-UHFFFAOYSA-N 2 2 286.379 1.097 20 30 CDEDLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)CCC#N)CC2)c1 ZINC000298299497 263217421 /nfs/dbraw/zinc/21/74/21/263217421.db2.gz YCFNDIQCXBILIX-ZDUSSCGKSA-N 2 2 274.368 1.904 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000121545654 263295030 /nfs/dbraw/zinc/29/50/30/263295030.db2.gz RBMVGDHWBWFOQR-UHFFFAOYSA-N 2 2 271.364 1.982 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377280262 268062928 /nfs/dbraw/zinc/06/29/28/268062928.db2.gz ZDTSDNIZFIICTC-CQSZACIVSA-N 2 2 280.416 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377280262 268062930 /nfs/dbraw/zinc/06/29/30/268062930.db2.gz ZDTSDNIZFIICTC-CQSZACIVSA-N 2 2 280.416 1.165 20 30 CDEDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(C#N)cc1 ZINC000423509048 278355570 /nfs/dbraw/zinc/35/55/70/278355570.db2.gz IJZIFMSLYYNNLW-IUODEOHRSA-N 2 2 258.369 1.112 20 30 CDEDLP Cc1[nH+]c2cc(NC(=O)[C@H]([NH3+])CCCC#N)ccc2n1C ZINC000570799347 327619522 /nfs/dbraw/zinc/61/95/22/327619522.db2.gz XEOIPCWMLQPTIY-GFCCVEGCSA-N 2 2 285.351 1.841 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000299173706 326926501 /nfs/dbraw/zinc/92/65/01/326926501.db2.gz ZHJMXNVKPKJYHW-UHFFFAOYSA-N 2 2 257.337 1.674 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000037749294 526707763 /nfs/dbraw/zinc/70/77/63/526707763.db2.gz LBRQRCWXATXIJE-OAHLLOKOSA-N 2 2 259.353 1.105 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000730276727 574908248 /nfs/dbraw/zinc/90/82/48/574908248.db2.gz SGUXINARHZMMHD-INIZCTEOSA-N 2 2 285.391 1.784 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000730276727 574908251 /nfs/dbraw/zinc/90/82/51/574908251.db2.gz SGUXINARHZMMHD-INIZCTEOSA-N 2 2 285.391 1.784 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@@H]2CCCOC2)cc1 ZINC000769878941 575394594 /nfs/dbraw/zinc/39/45/94/575394594.db2.gz RDZJXPHLXNQRJO-CQSZACIVSA-N 2 2 291.395 1.812 20 30 CDEDLP C[NH+]1CCN(c2ccc(C=[NH+]N3CCCC3=O)cc2)CC1 ZINC000771557378 575590023 /nfs/dbraw/zinc/59/00/23/575590023.db2.gz DIBSUYIEBJIYNB-UHFFFAOYSA-N 2 2 286.379 1.395 20 30 CDEDLP CC(C)[N@H+]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@H](C)C1 ZINC000761859836 576598652 /nfs/dbraw/zinc/59/86/52/576598652.db2.gz BMGMDPSYXDYVMK-GFCCVEGCSA-N 2 2 299.382 1.790 20 30 CDEDLP CC(C)[N@@H+]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@H](C)C1 ZINC000761859836 576598655 /nfs/dbraw/zinc/59/86/55/576598655.db2.gz BMGMDPSYXDYVMK-GFCCVEGCSA-N 2 2 299.382 1.790 20 30 CDEDLP CC[N@@H+]1CCC(N=NC2=[NH+][C@@H]3CCCC[C@@H]3N2)[C@H](C)C1 ZINC000753935263 576866786 /nfs/dbraw/zinc/86/67/86/576866786.db2.gz NGFGIFCVNXEMBO-BNOWGMLFSA-N 2 2 277.416 1.564 20 30 CDEDLP CC[N@H+]1CCC(N=NC2=[NH+][C@@H]3CCCC[C@@H]3N2)[C@H](C)C1 ZINC000753935263 576866788 /nfs/dbraw/zinc/86/67/88/576866788.db2.gz NGFGIFCVNXEMBO-BNOWGMLFSA-N 2 2 277.416 1.564 20 30 CDEDLP CC(C)CO[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755801800 576961809 /nfs/dbraw/zinc/96/18/09/576961809.db2.gz NRYSSBKCONVHSO-UHFFFAOYSA-N 2 2 277.372 1.235 20 30 CDEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000971777514 613088962 /nfs/dbraw/zinc/08/89/62/613088962.db2.gz DOGDOHXRLBZVOG-AWEZNQCLSA-N 2 2 288.395 1.093 20 30 CDEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000971777514 613088963 /nfs/dbraw/zinc/08/89/63/613088963.db2.gz DOGDOHXRLBZVOG-AWEZNQCLSA-N 2 2 288.395 1.093 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981523074 613153841 /nfs/dbraw/zinc/15/38/41/613153841.db2.gz JQHVMYYOVSTCGN-INIZCTEOSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981523074 613153843 /nfs/dbraw/zinc/15/38/43/613153843.db2.gz JQHVMYYOVSTCGN-INIZCTEOSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981523074 613153845 /nfs/dbraw/zinc/15/38/45/613153845.db2.gz JQHVMYYOVSTCGN-INIZCTEOSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981523074 613153847 /nfs/dbraw/zinc/15/38/47/613153847.db2.gz JQHVMYYOVSTCGN-INIZCTEOSA-N 2 2 291.439 1.274 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701062 613264048 /nfs/dbraw/zinc/26/40/48/613264048.db2.gz DJPXTRHMHGFBCW-CABCVRRESA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701062 613264050 /nfs/dbraw/zinc/26/40/50/613264050.db2.gz DJPXTRHMHGFBCW-CABCVRRESA-N 2 2 290.411 1.676 20 30 CDEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977376130 613280404 /nfs/dbraw/zinc/28/04/04/613280404.db2.gz ZLLBAAMXXOGVPE-OAHLLOKOSA-N 2 2 291.439 1.178 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977376130 613280405 /nfs/dbraw/zinc/28/04/05/613280405.db2.gz ZLLBAAMXXOGVPE-OAHLLOKOSA-N 2 2 291.439 1.178 20 30 CDEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982170941 613305391 /nfs/dbraw/zinc/30/53/91/613305391.db2.gz ROMTWEGOOHPNBV-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982170941 613305393 /nfs/dbraw/zinc/30/53/93/613305393.db2.gz ROMTWEGOOHPNBV-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981548187 613347738 /nfs/dbraw/zinc/34/77/38/613347738.db2.gz OXUVCSNOEGWQGF-KGLIPLIRSA-N 2 2 276.384 1.476 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000971947627 613368374 /nfs/dbraw/zinc/36/83/74/613368374.db2.gz UFQDPGKDJNWZJI-CYBMUJFWSA-N 2 2 296.802 1.477 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000971947627 613368375 /nfs/dbraw/zinc/36/83/75/613368375.db2.gz UFQDPGKDJNWZJI-CYBMUJFWSA-N 2 2 296.802 1.477 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945807446 613536660 /nfs/dbraw/zinc/53/66/60/613536660.db2.gz JQCWFZSADLEFND-KBPBESRZSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945807446 613536661 /nfs/dbraw/zinc/53/66/61/613536661.db2.gz JQCWFZSADLEFND-KBPBESRZSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972306173 613617810 /nfs/dbraw/zinc/61/78/10/613617810.db2.gz DRVVRGJFRCPLCG-OLZOCXBDSA-N 2 2 288.395 1.548 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972306173 613617814 /nfs/dbraw/zinc/61/78/14/613617814.db2.gz DRVVRGJFRCPLCG-OLZOCXBDSA-N 2 2 288.395 1.548 20 30 CDEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960572284 613639799 /nfs/dbraw/zinc/63/97/99/613639799.db2.gz UYUYYRRNBYHYJY-VIKVFOODSA-N 2 2 294.358 1.246 20 30 CDEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960572284 613639801 /nfs/dbraw/zinc/63/98/01/613639801.db2.gz UYUYYRRNBYHYJY-VIKVFOODSA-N 2 2 294.358 1.246 20 30 CDEDLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(O)C2=O)CC1 ZINC000895162752 619383293 /nfs/dbraw/zinc/38/32/93/619383293.db2.gz NJYJUQGVXBMRIZ-LBPRGKRZSA-N 2 2 269.389 1.219 20 30 CDEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135136930 1164130991 /nfs/dbraw/zinc/13/09/91/1164130991.db2.gz LDHOYNXRYZDJQJ-UONOGXRCSA-N 2 2 276.384 1.169 20 30 CDEDLP N#CCc1cc[nH+]c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001155595536 1167251280 /nfs/dbraw/zinc/25/12/80/1167251280.db2.gz BIPWWJKWXBOYFS-GOEBONIOSA-N 2 2 286.379 1.718 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209866941 1167357996 /nfs/dbraw/zinc/35/79/96/1167357996.db2.gz WPJPYYHAXRDLMO-HUUCEWRRSA-N 2 2 288.395 1.438 20 30 CDEDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(C#N)c1 ZINC001576487336 1171435441 /nfs/dbraw/zinc/43/54/41/1171435441.db2.gz KOMNNMWBCMETTG-KGLIPLIRSA-N 2 2 259.353 1.322 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001732154110 1182811145 /nfs/dbraw/zinc/81/11/45/1182811145.db2.gz VEUROOYSRYYBPS-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001732154110 1182811157 /nfs/dbraw/zinc/81/11/57/1182811157.db2.gz VEUROOYSRYYBPS-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001732154110 1182811167 /nfs/dbraw/zinc/81/11/67/1182811167.db2.gz VEUROOYSRYYBPS-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001732154110 1182811177 /nfs/dbraw/zinc/81/11/77/1182811177.db2.gz VEUROOYSRYYBPS-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753358753 1184444504 /nfs/dbraw/zinc/44/45/04/1184444504.db2.gz SDRZJDMXOMQEOF-CYBMUJFWSA-N 2 2 276.384 1.227 20 30 CDEDLP C=CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753358753 1184444509 /nfs/dbraw/zinc/44/45/09/1184444509.db2.gz SDRZJDMXOMQEOF-CYBMUJFWSA-N 2 2 276.384 1.227 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752808032 1184918735 /nfs/dbraw/zinc/91/87/35/1184918735.db2.gz SKRVZCSXDWJIQP-HUUCEWRRSA-N 2 2 290.411 1.848 20 30 CDEDLP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001753479295 1185228678 /nfs/dbraw/zinc/22/86/78/1185228678.db2.gz YDFLCKBOPLUZSS-KGLIPLIRSA-N 2 2 290.411 1.506 20 30 CDEDLP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001754803193 1185734555 /nfs/dbraw/zinc/73/45/55/1185734555.db2.gz LHLBHOAKADMNIL-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001755218159 1185858976 /nfs/dbraw/zinc/85/89/76/1185858976.db2.gz OVMPBRPVFUFFEJ-UHFFFAOYSA-N 2 2 262.357 1.013 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001019171751 726029002 /nfs/dbraw/zinc/02/90/02/726029002.db2.gz NTACBQAGSHOMAN-AWEZNQCLSA-N 2 2 273.380 1.997 20 30 CDEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)CC1(C#N)CCC1 ZINC000886315215 726061416 /nfs/dbraw/zinc/06/14/16/726061416.db2.gz BHLMBAIIRBUHSA-QLFBSQMISA-N 2 2 277.412 1.600 20 30 CDEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)CC1(C#N)CCC1 ZINC000886315215 726061419 /nfs/dbraw/zinc/06/14/19/726061419.db2.gz BHLMBAIIRBUHSA-QLFBSQMISA-N 2 2 277.412 1.600 20 30 CDEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)CC1(C#N)CCC1 ZINC000886315215 726061421 /nfs/dbraw/zinc/06/14/21/726061421.db2.gz BHLMBAIIRBUHSA-QLFBSQMISA-N 2 2 277.412 1.600 20 30 CDEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)CC1(C#N)CCC1 ZINC000886315215 726061424 /nfs/dbraw/zinc/06/14/24/726061424.db2.gz BHLMBAIIRBUHSA-QLFBSQMISA-N 2 2 277.412 1.600 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008488249 726100649 /nfs/dbraw/zinc/10/06/49/726100649.db2.gz OKPHZQBFODVSSE-QWHCGFSZSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008488249 726100651 /nfs/dbraw/zinc/10/06/51/726100651.db2.gz OKPHZQBFODVSSE-QWHCGFSZSA-N 2 2 288.395 1.596 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003625640 726130735 /nfs/dbraw/zinc/13/07/35/726130735.db2.gz HYLMJJNPKGNFAJ-GFCCVEGCSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003625640 726130738 /nfs/dbraw/zinc/13/07/38/726130738.db2.gz HYLMJJNPKGNFAJ-GFCCVEGCSA-N 2 2 299.846 1.661 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnnn1-c1ccccc1 ZINC000926489218 726145678 /nfs/dbraw/zinc/14/56/78/726145678.db2.gz FKJSKHJDOQLMBN-OAHLLOKOSA-N 2 2 297.406 1.873 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnnn1-c1ccccc1 ZINC000926489218 726145682 /nfs/dbraw/zinc/14/56/82/726145682.db2.gz FKJSKHJDOQLMBN-OAHLLOKOSA-N 2 2 297.406 1.873 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC000989224408 726202754 /nfs/dbraw/zinc/20/27/54/726202754.db2.gz WBYDDWUFAHJHGG-OLZOCXBDSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC000996037073 726287605 /nfs/dbraw/zinc/28/76/05/726287605.db2.gz BVLKSJQASBAJNS-CQSZACIVSA-N 2 2 298.390 1.961 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028315325 726319922 /nfs/dbraw/zinc/31/99/22/726319922.db2.gz IBIVKPNFOMWONA-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028315325 726319924 /nfs/dbraw/zinc/31/99/24/726319924.db2.gz IBIVKPNFOMWONA-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028315325 726319925 /nfs/dbraw/zinc/31/99/25/726319925.db2.gz IBIVKPNFOMWONA-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028315325 726319927 /nfs/dbraw/zinc/31/99/27/726319927.db2.gz IBIVKPNFOMWONA-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001019707350 726382167 /nfs/dbraw/zinc/38/21/67/726382167.db2.gz ADDZIDUQFNIOLV-LBPRGKRZSA-N 2 2 262.357 1.027 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001019056193 726413845 /nfs/dbraw/zinc/41/38/45/726413845.db2.gz NLXXMIFQNMXBKO-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877073073 726895260 /nfs/dbraw/zinc/89/52/60/726895260.db2.gz BSDHHXGMRHWLFN-DOMZBBRYSA-N 2 2 258.369 1.916 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000989262091 726899672 /nfs/dbraw/zinc/89/96/72/726899672.db2.gz UNQDUTQTNMWHQD-STQMWFEESA-N 2 2 262.357 1.038 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001015721480 726920285 /nfs/dbraw/zinc/92/02/85/726920285.db2.gz KCXGBCJKGQGRDG-MGPQQGTHSA-N 2 2 288.395 1.290 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001015721480 726920287 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C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001072121795 727465128 /nfs/dbraw/zinc/46/51/28/727465128.db2.gz BJKGGRXRVHVBRA-STQMWFEESA-N 2 2 262.357 1.038 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052899363 727868228 /nfs/dbraw/zinc/86/82/28/727868228.db2.gz RZXRRGRVBCRJAM-CQSZACIVSA-N 2 2 288.395 1.255 20 30 CDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052899363 727868231 /nfs/dbraw/zinc/86/82/31/727868231.db2.gz RZXRRGRVBCRJAM-CQSZACIVSA-N 2 2 288.395 1.255 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001030306402 728042492 /nfs/dbraw/zinc/04/24/92/728042492.db2.gz QOKQNGWURSZDBL-HIFRSBDPSA-N 2 2 277.412 1.237 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001030306402 728042496 /nfs/dbraw/zinc/04/24/96/728042496.db2.gz QOKQNGWURSZDBL-HIFRSBDPSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038921896 728046898 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C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246727 728346570 /nfs/dbraw/zinc/34/65/70/728346570.db2.gz HZZHVQFDZJOGMP-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246727 728346571 /nfs/dbraw/zinc/34/65/71/728346571.db2.gz HZZHVQFDZJOGMP-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001074718360 728356199 /nfs/dbraw/zinc/35/61/99/728356199.db2.gz LLDWAPRYVXILBX-IHRRRGAJSA-N 2 2 288.395 1.211 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812924 728367151 /nfs/dbraw/zinc/36/71/51/728367151.db2.gz LQCCPTZBCSPNOR-UHFFFAOYSA-N 2 2 297.830 1.415 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233979342 1167392029 /nfs/dbraw/zinc/39/20/29/1167392029.db2.gz ZRGDEIGQUFVPRY-ZDUSSCGKSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233979342 1167392037 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ZXXFIBXFWRCABF-WFASDCNBSA-N 2 2 286.379 1.311 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222105670 941566385 /nfs/dbraw/zinc/56/63/85/941566385.db2.gz VWEYKINUPOVKGE-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001223420022 941676407 /nfs/dbraw/zinc/67/64/07/941676407.db2.gz PNMFHKWBPVSHIO-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CCC[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001223420022 941676409 /nfs/dbraw/zinc/67/64/09/941676409.db2.gz PNMFHKWBPVSHIO-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CCC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223980233 941711975 /nfs/dbraw/zinc/71/19/75/941711975.db2.gz DIYBWQXEFNLVDW-UHFFFAOYSA-N 2 2 290.411 1.678 20 30 CDEDLP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]CCC#N)(C1)CCC2 ZINC001277939499 944134748 /nfs/dbraw/zinc/13/47/48/944134748.db2.gz UZWRGJDANIMFFO-CABCVRRESA-N 2 2 278.400 1.013 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)c2c1 ZINC001235985015 944350865 /nfs/dbraw/zinc/35/08/65/944350865.db2.gz BTUGYQQEYUABFR-CZUORRHYSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)c2c1 ZINC001235985015 944350869 /nfs/dbraw/zinc/35/08/69/944350869.db2.gz BTUGYQQEYUABFR-CZUORRHYSA-N 2 2 266.348 1.963 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255111561 947739055 /nfs/dbraw/zinc/73/90/55/947739055.db2.gz RMOXWEOHWBKVHN-HZPDHXFCSA-N 2 2 270.380 1.058 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255111561 947739061 /nfs/dbraw/zinc/73/90/61/947739061.db2.gz RMOXWEOHWBKVHN-HZPDHXFCSA-N 2 2 270.380 1.058 20 30 CDEDLP C#CC[NH+](CC(O)C[N@H+](CC#C)CC1CC1)CC1CC1 ZINC001256015251 948158027 /nfs/dbraw/zinc/15/80/27/948158027.db2.gz FEZUTNADECNDFJ-UHFFFAOYSA-N 2 2 274.408 1.038 20 30 CDEDLP C#CC[NH+](CC(O)C[N@@H+](CC#C)CC1CC1)CC1CC1 ZINC001256015251 948158033 /nfs/dbraw/zinc/15/80/33/948158033.db2.gz FEZUTNADECNDFJ-UHFFFAOYSA-N 2 2 274.408 1.038 20 30 CDEDLP C=CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC001256853376 948434791 /nfs/dbraw/zinc/43/47/91/948434791.db2.gz AGTIJFAJOUFZOR-HNNXBMFYSA-N 2 2 289.379 1.758 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001317994750 957845151 /nfs/dbraw/zinc/84/51/51/957845151.db2.gz XQWYWIKBWHRAEB-HNNXBMFYSA-N 2 2 290.411 1.820 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001317994750 957845159 /nfs/dbraw/zinc/84/51/59/957845159.db2.gz XQWYWIKBWHRAEB-HNNXBMFYSA-N 2 2 290.411 1.820 20 30 CDEDLP C=C[C@@H](COC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001324022241 961116635 /nfs/dbraw/zinc/11/66/35/961116635.db2.gz PIOGYWFTIJBRNF-ZDUSSCGKSA-N 2 2 261.369 1.841 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001436386473 962228387 /nfs/dbraw/zinc/22/83/87/962228387.db2.gz RPFDMEJUDRNVON-AULYBMBSSA-N 2 2 296.802 1.579 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001437563343 963017349 /nfs/dbraw/zinc/01/73/49/963017349.db2.gz JODDZWGMZVVLRV-UHFFFAOYSA-N 2 2 287.835 1.663 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001437563343 963017336 /nfs/dbraw/zinc/01/73/36/963017336.db2.gz JODDZWGMZVVLRV-UHFFFAOYSA-N 2 2 287.835 1.663 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001445108989 966102037 /nfs/dbraw/zinc/10/20/37/966102037.db2.gz KSJKWKMXDOQVDQ-AAEUAGOBSA-N 2 2 296.802 1.579 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001378397039 975345490 /nfs/dbraw/zinc/34/54/90/975345490.db2.gz GJTKJVUXKPNZFN-CQSZACIVSA-N 2 2 296.802 1.579 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000351618178 361806499 /nfs/dbraw/zinc/80/64/99/361806499.db2.gz HINSOGXZGPYSHU-KBPBESRZSA-N 2 2 265.401 1.864 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000351618178 361806504 /nfs/dbraw/zinc/80/65/04/361806504.db2.gz HINSOGXZGPYSHU-KBPBESRZSA-N 2 2 265.401 1.864 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591735021 342644809 /nfs/dbraw/zinc/64/48/09/342644809.db2.gz SSGGXJQDYNNEKS-DZGCQCFKSA-N 2 2 261.369 1.229 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591735021 342644810 /nfs/dbraw/zinc/64/48/10/342644810.db2.gz SSGGXJQDYNNEKS-DZGCQCFKSA-N 2 2 261.369 1.229 20 30 CDEDLP COc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1C#N ZINC000592431536 342691730 /nfs/dbraw/zinc/69/17/30/342691730.db2.gz ADYRSNACQOSDEA-UHFFFAOYSA-N 2 2 259.353 1.880 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594614046 342928068 /nfs/dbraw/zinc/92/80/68/342928068.db2.gz YAWOQOHMRKFBRP-DZGCQCFKSA-N 2 2 265.401 1.912 20 30 CDEDLP C=CC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000442650510 362077195 /nfs/dbraw/zinc/07/71/95/362077195.db2.gz PMRMTCJGARGUSQ-OLZOCXBDSA-N 2 2 286.383 1.559 20 30 CDEDLP C=CC[N@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000442650510 362077199 /nfs/dbraw/zinc/07/71/99/362077199.db2.gz PMRMTCJGARGUSQ-OLZOCXBDSA-N 2 2 286.383 1.559 20 30 CDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000330327735 362382421 /nfs/dbraw/zinc/38/24/21/362382421.db2.gz LDLZKOBZVNWOPB-BZPMIXESSA-N 2 2 292.383 1.691 20 30 CDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC000330327735 362382425 /nfs/dbraw/zinc/38/24/25/362382425.db2.gz LDLZKOBZVNWOPB-BZPMIXESSA-N 2 2 292.383 1.691 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000602638180 344510889 /nfs/dbraw/zinc/51/08/89/344510889.db2.gz MAMUMBYXYIALNR-OAHLLOKOSA-N 2 2 277.412 1.937 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000602638180 344510891 /nfs/dbraw/zinc/51/08/91/344510891.db2.gz MAMUMBYXYIALNR-OAHLLOKOSA-N 2 2 277.412 1.937 20 30 CDEDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602722830 344565026 /nfs/dbraw/zinc/56/50/26/344565026.db2.gz IAKYLKNMCSUDIG-ZDUSSCGKSA-N 2 2 258.369 1.775 20 30 CDEDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602722830 344565029 /nfs/dbraw/zinc/56/50/29/344565029.db2.gz IAKYLKNMCSUDIG-ZDUSSCGKSA-N 2 2 258.369 1.775 20 30 CDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449399133 362694692 /nfs/dbraw/zinc/69/46/92/362694692.db2.gz XTGQEAKGXHMXGJ-ILXRZTDVSA-N 2 2 265.401 1.505 20 30 CDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449399133 362694699 /nfs/dbraw/zinc/69/46/99/362694699.db2.gz XTGQEAKGXHMXGJ-ILXRZTDVSA-N 2 2 265.401 1.505 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641784397 365852309 /nfs/dbraw/zinc/85/23/09/365852309.db2.gz CKPLHVBYBUNYQJ-SJORKVTESA-N 2 2 295.471 1.727 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(CC)nc2)CC1 ZINC000414339949 362934750 /nfs/dbraw/zinc/93/47/50/362934750.db2.gz TVWWSSOUSWIXFK-UHFFFAOYSA-N 2 2 260.385 1.779 20 30 CDEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC)c1ccsc1 ZINC000264070132 362958382 /nfs/dbraw/zinc/95/83/82/362958382.db2.gz CXIISHPUOMGLFJ-NSHDSACASA-N 2 2 254.403 1.665 20 30 CDEDLP COc1ccc(O)c(/C=[NH+]/CCN2CC[NH+](C)CC2)c1 ZINC000022945520 356625307 /nfs/dbraw/zinc/62/53/07/356625307.db2.gz GSJBLXKSOJLDPQ-FOWTUZBSSA-N 2 2 277.368 1.067 20 30 CDEDLP C=CC(C)(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335230700 359072915 /nfs/dbraw/zinc/07/29/15/359072915.db2.gz QLRJOVIUCCGIGG-AWEZNQCLSA-N 2 2 293.455 1.826 20 30 CDEDLP C=CC(C)(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335230700 359072916 /nfs/dbraw/zinc/07/29/16/359072916.db2.gz QLRJOVIUCCGIGG-AWEZNQCLSA-N 2 2 293.455 1.826 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000337160950 360014934 /nfs/dbraw/zinc/01/49/34/360014934.db2.gz UCXWTIGPHBGHPE-HUUCEWRRSA-N 2 2 287.363 1.322 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000337160950 360014937 /nfs/dbraw/zinc/01/49/37/360014937.db2.gz UCXWTIGPHBGHPE-HUUCEWRRSA-N 2 2 287.363 1.322 20 30 CDEDLP C=CC[N@@H+](CCC#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000428855064 360727673 /nfs/dbraw/zinc/72/76/73/360727673.db2.gz HLFCPIFYQKDPPI-UHFFFAOYSA-N 2 2 278.444 1.804 20 30 CDEDLP C=CC[N@H+](CCC#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000428855064 360727677 /nfs/dbraw/zinc/72/76/77/360727677.db2.gz HLFCPIFYQKDPPI-UHFFFAOYSA-N 2 2 278.444 1.804 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247699719 361156673 /nfs/dbraw/zinc/15/66/73/361156673.db2.gz XLXGNTBBDZRWTI-ZIAGYGMSSA-N 2 2 267.417 1.483 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247699719 361156676 /nfs/dbraw/zinc/15/66/76/361156676.db2.gz XLXGNTBBDZRWTI-ZIAGYGMSSA-N 2 2 267.417 1.483 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247699719 361156677 /nfs/dbraw/zinc/15/66/77/361156677.db2.gz XLXGNTBBDZRWTI-ZIAGYGMSSA-N 2 2 267.417 1.483 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247699719 361156679 /nfs/dbraw/zinc/15/66/79/361156679.db2.gz XLXGNTBBDZRWTI-ZIAGYGMSSA-N 2 2 267.417 1.483 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(OC)ns2)CC1 ZINC000638524901 370747161 /nfs/dbraw/zinc/74/71/61/370747161.db2.gz URRJVTZUAVHIIM-UHFFFAOYSA-N 2 2 267.398 1.892 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000490779825 364319894 /nfs/dbraw/zinc/31/98/94/364319894.db2.gz ZZJZHOYPPRWZCJ-AWEZNQCLSA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000490779825 364319903 /nfs/dbraw/zinc/31/99/03/364319903.db2.gz ZZJZHOYPPRWZCJ-AWEZNQCLSA-N 2 2 289.423 1.027 20 30 CDEDLP C[N@H+](CC#Cc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000361829583 369062204 /nfs/dbraw/zinc/06/22/04/369062204.db2.gz NVXMMQADCXHVTN-UHFFFAOYSA-N 2 2 272.392 1.427 20 30 CDEDLP C[N@@H+](CC#Cc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000361829583 369062206 /nfs/dbraw/zinc/06/22/06/369062206.db2.gz NVXMMQADCXHVTN-UHFFFAOYSA-N 2 2 272.392 1.427 20 30 CDEDLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411813036 374183674 /nfs/dbraw/zinc/18/36/74/374183674.db2.gz BTZWCFBBHVVALM-UHFFFAOYSA-N 2 2 288.395 1.817 20 30 CDEDLP CN(c1ncccc1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377672308 374615191 /nfs/dbraw/zinc/61/51/91/374615191.db2.gz VFPWCGCCVYCBMN-INIZCTEOSA-N 2 2 299.422 1.558 20 30 CDEDLP CN(c1ncccc1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377672308 374615197 /nfs/dbraw/zinc/61/51/97/374615197.db2.gz VFPWCGCCVYCBMN-INIZCTEOSA-N 2 2 299.422 1.558 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000124336381 374784580 /nfs/dbraw/zinc/78/45/80/374784580.db2.gz DBAICOZVJDDFIW-HNNXBMFYSA-N 2 2 289.383 1.013 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000124336381 374784584 /nfs/dbraw/zinc/78/45/84/374784584.db2.gz DBAICOZVJDDFIW-HNNXBMFYSA-N 2 2 289.383 1.013 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834593 377133930 /nfs/dbraw/zinc/13/39/30/377133930.db2.gz NLTTXBLWTFXCJO-AWEZNQCLSA-N 2 2 265.401 1.096 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834593 377133940 /nfs/dbraw/zinc/13/39/40/377133940.db2.gz NLTTXBLWTFXCJO-AWEZNQCLSA-N 2 2 265.401 1.096 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000282108830 378023581 /nfs/dbraw/zinc/02/35/81/378023581.db2.gz WUGGEAKWCGWYEC-SOUVJXGZSA-N 2 2 288.395 1.553 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000282108830 378023586 /nfs/dbraw/zinc/02/35/86/378023586.db2.gz WUGGEAKWCGWYEC-SOUVJXGZSA-N 2 2 288.395 1.553 20 30 CDEDLP Cc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1C#N ZINC000443959929 250066902 /nfs/dbraw/zinc/06/69/02/250066902.db2.gz FOPBUHATPVHTNN-MRXNPFEDSA-N 2 2 273.380 1.413 20 30 CDEDLP C[N@H+](CCC#N)C[C@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000414157868 391115084 /nfs/dbraw/zinc/11/50/84/391115084.db2.gz WXXMMAOOVOGILX-HNNXBMFYSA-N 2 2 284.363 1.756 20 30 CDEDLP C[N@@H+](CCC#N)C[C@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000414157868 391115085 /nfs/dbraw/zinc/11/50/85/391115085.db2.gz WXXMMAOOVOGILX-HNNXBMFYSA-N 2 2 284.363 1.756 20 30 CDEDLP CCCNC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267318274 391191719 /nfs/dbraw/zinc/19/17/19/391191719.db2.gz MUZRBJSOKUYHPK-UHFFFAOYSA-N 2 2 266.364 1.572 20 30 CDEDLP CCCNC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267318274 391191722 /nfs/dbraw/zinc/19/17/22/391191722.db2.gz MUZRBJSOKUYHPK-UHFFFAOYSA-N 2 2 266.364 1.572 20 30 CDEDLP CC(C)CNC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000261968067 391744276 /nfs/dbraw/zinc/74/42/76/391744276.db2.gz CAFXAOOCZNPLTN-UHFFFAOYSA-N 2 2 280.441 1.667 20 30 CDEDLP CC(C)CNC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000261968067 391744278 /nfs/dbraw/zinc/74/42/78/391744278.db2.gz CAFXAOOCZNPLTN-UHFFFAOYSA-N 2 2 280.441 1.667 20 30 CDEDLP Cc1cc(N2CCC(OCC[NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000425225518 392997915 /nfs/dbraw/zinc/99/79/15/392997915.db2.gz LHSTZCIKPIPAQW-UHFFFAOYSA-N 2 2 288.395 1.809 20 30 CDEDLP C=CCc1cc(C[NH2+][C@@H](C)C[NH2+]C)cc(OC)c1O ZINC000663508416 414313945 /nfs/dbraw/zinc/31/39/45/414313945.db2.gz PUKFRSZSVUCUFW-NSHDSACASA-N 2 2 264.369 1.827 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ZINC001134233814 929660321 /nfs/dbraw/zinc/66/03/21/929660321.db2.gz BFMQAXATFLSHDP-RYUDHWBXSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031470 930610091 /nfs/dbraw/zinc/61/00/91/930610091.db2.gz LPDXVSRHDMRHNP-GHMZBOCLSA-N 2 2 264.373 1.320 20 30 CDEDLP CC#CC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170994560 931189197 /nfs/dbraw/zinc/18/91/97/931189197.db2.gz HXMVSFWZFVFWMW-UHFFFAOYSA-N 2 2 297.362 1.000 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528677 937554798 /nfs/dbraw/zinc/55/47/98/937554798.db2.gz CZMIBLCSHIHTMJ-CYBMUJFWSA-N 2 2 264.373 1.286 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528677 937554801 /nfs/dbraw/zinc/55/48/01/937554801.db2.gz CZMIBLCSHIHTMJ-CYBMUJFWSA-N 2 2 264.373 1.286 20 30 CDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155752067 937670647 /nfs/dbraw/zinc/67/06/47/937670647.db2.gz XLCYZOVDWIGBRM-ZIAGYGMSSA-N 2 2 290.411 1.438 20 30 CDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155752067 937670649 /nfs/dbraw/zinc/67/06/49/937670649.db2.gz XLCYZOVDWIGBRM-ZIAGYGMSSA-N 2 2 290.411 1.438 20 30 CDEDLP C#CCC[NH+]1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000933350468 933811205 /nfs/dbraw/zinc/81/12/05/933811205.db2.gz AUOHLZSEFQQXAF-UHFFFAOYSA-N 2 2 296.374 1.780 20 30 CDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001044295217 935856841 /nfs/dbraw/zinc/85/68/41/935856841.db2.gz FINVFTPGMVJLSJ-UHFFFAOYSA-N 2 2 276.384 1.300 20 30 CDEDLP Cc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1CC#N ZINC001157915680 938561774 /nfs/dbraw/zinc/56/17/74/938561774.db2.gz FDTKSFGUDWQZNI-UHFFFAOYSA-N 2 2 272.356 1.050 20 30 CDEDLP C[C@]1([NH3+])CCC[N@H+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001205288651 939876648 /nfs/dbraw/zinc/87/66/48/939876648.db2.gz MWBNNSDVVAAJHX-INIZCTEOSA-N 2 2 283.379 1.909 20 30 CDEDLP C[C@]1([NH3+])CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001205288651 939876652 /nfs/dbraw/zinc/87/66/52/939876652.db2.gz MWBNNSDVVAAJHX-INIZCTEOSA-N 2 2 283.379 1.909 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679448 939916743 /nfs/dbraw/zinc/91/67/43/939916743.db2.gz HEDZCQFYERRHSU-UHFFFAOYSA-N 2 2 298.390 1.962 20 30 CDEDLP C#CC1(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCCCC1 ZINC001221275355 941509102 /nfs/dbraw/zinc/50/91/02/941509102.db2.gz BBZPTFKJMYWLCD-OAHLLOKOSA-N 2 2 285.391 1.711 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229223078 942435702 /nfs/dbraw/zinc/43/57/02/942435702.db2.gz GTUSAGAZELOQCI-ZDUSSCGKSA-N 2 2 287.835 1.660 20 30 CDEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(C#N)ccn1)CC2 ZINC001232479687 943292777 /nfs/dbraw/zinc/29/27/77/943292777.db2.gz ZLXJZYQLXYVVGQ-UHFFFAOYSA-N 2 2 299.378 1.583 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369217675 959535709 /nfs/dbraw/zinc/53/57/09/959535709.db2.gz AJSWOQVDSWBUCM-GFCCVEGCSA-N 2 2 296.802 1.531 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440124841 963931619 /nfs/dbraw/zinc/93/16/19/963931619.db2.gz ROVFNUMWPMKUKK-VXGBXAGGSA-N 2 2 296.802 1.531 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001446593742 966592908 /nfs/dbraw/zinc/59/29/08/966592908.db2.gz KYVZPURWBCPRIX-AWEZNQCLSA-N 2 2 296.802 1.533 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374355462 973906176 /nfs/dbraw/zinc/90/61/76/973906176.db2.gz HPMCNEHKQUIMFY-GFCCVEGCSA-N 2 2 298.818 1.825 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001378115478 975248673 /nfs/dbraw/zinc/24/86/73/975248673.db2.gz NZFXDPWIXILVHC-NWDGAFQWSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001378115478 975248679 /nfs/dbraw/zinc/24/86/79/975248679.db2.gz NZFXDPWIXILVHC-NWDGAFQWSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001378115478 975248685 /nfs/dbraw/zinc/24/86/85/975248685.db2.gz NZFXDPWIXILVHC-NWDGAFQWSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001378115478 975248689 /nfs/dbraw/zinc/24/86/89/975248689.db2.gz NZFXDPWIXILVHC-NWDGAFQWSA-N 2 2 273.808 1.270 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222174 1163204577 /nfs/dbraw/zinc/20/45/77/1163204577.db2.gz UUXIBYAONIGHRI-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222174 1163204585 /nfs/dbraw/zinc/20/45/85/1163204585.db2.gz UUXIBYAONIGHRI-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132874080 1163498856 /nfs/dbraw/zinc/49/88/56/1163498856.db2.gz DKRJRRKXUPTHFS-KBPBESRZSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132874080 1163498860 /nfs/dbraw/zinc/49/88/60/1163498860.db2.gz DKRJRRKXUPTHFS-KBPBESRZSA-N 2 2 290.411 1.603 20 30 CDEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)cn1)C2 ZINC000595503739 343079463 /nfs/dbraw/zinc/07/94/63/343079463.db2.gz AWJRDSBDGGZYHR-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)cn1)C2 ZINC000595503739 343079465 /nfs/dbraw/zinc/07/94/65/343079465.db2.gz AWJRDSBDGGZYHR-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C#N)cn1)C2 ZINC000595503739 343079467 /nfs/dbraw/zinc/07/94/67/343079467.db2.gz AWJRDSBDGGZYHR-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC000595503739 343079468 /nfs/dbraw/zinc/07/94/68/343079468.db2.gz AWJRDSBDGGZYHR-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000602673050 344523132 /nfs/dbraw/zinc/52/31/32/344523132.db2.gz HQNYRFQCJPOQKN-UONOGXRCSA-N 2 2 253.390 1.363 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000602673050 344523133 /nfs/dbraw/zinc/52/31/33/344523133.db2.gz HQNYRFQCJPOQKN-UONOGXRCSA-N 2 2 253.390 1.363 20 30 CDEDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C#N)n1 ZINC000602663440 344535134 /nfs/dbraw/zinc/53/51/34/344535134.db2.gz AIWCKMWMYPHJKF-WFASDCNBSA-N 2 2 258.369 1.725 20 30 CDEDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C#N)n1 ZINC000602663440 344535135 /nfs/dbraw/zinc/53/51/35/344535135.db2.gz AIWCKMWMYPHJKF-WFASDCNBSA-N 2 2 258.369 1.725 20 30 CDEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(C#N)n1 ZINC000602663440 344535137 /nfs/dbraw/zinc/53/51/37/344535137.db2.gz AIWCKMWMYPHJKF-WFASDCNBSA-N 2 2 258.369 1.725 20 30 CDEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602663440 344535138 /nfs/dbraw/zinc/53/51/38/344535138.db2.gz AIWCKMWMYPHJKF-WFASDCNBSA-N 2 2 258.369 1.725 20 30 CDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813462 346444639 /nfs/dbraw/zinc/44/46/39/346444639.db2.gz HVENHMLVDKUNNN-SWLSCSKDSA-N 2 2 262.401 1.047 20 30 CDEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813462 346444640 /nfs/dbraw/zinc/44/46/40/346444640.db2.gz HVENHMLVDKUNNN-SWLSCSKDSA-N 2 2 262.401 1.047 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000264120827 362972267 /nfs/dbraw/zinc/97/22/67/362972267.db2.gz UULAUTIIHYVYJD-NSHDSACASA-N 2 2 296.440 1.045 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000264120827 362972274 /nfs/dbraw/zinc/97/22/74/362972274.db2.gz UULAUTIIHYVYJD-NSHDSACASA-N 2 2 296.440 1.045 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000264328869 363033525 /nfs/dbraw/zinc/03/35/25/363033525.db2.gz ZLQBOWUEOGFKLK-LBPRGKRZSA-N 2 2 279.388 1.213 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000337160951 360014849 /nfs/dbraw/zinc/01/48/49/360014849.db2.gz UCXWTIGPHBGHPE-LSDHHAIUSA-N 2 2 287.363 1.322 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000337160951 360014852 /nfs/dbraw/zinc/01/48/52/360014852.db2.gz UCXWTIGPHBGHPE-LSDHHAIUSA-N 2 2 287.363 1.322 20 30 CDEDLP C=CCNC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337688709 360347678 /nfs/dbraw/zinc/34/76/78/360347678.db2.gz RZXVYUZVDHBIGG-UHFFFAOYSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337688709 360347684 /nfs/dbraw/zinc/34/76/84/360347684.db2.gz RZXVYUZVDHBIGG-UHFFFAOYSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536654268 361314860 /nfs/dbraw/zinc/31/48/60/361314860.db2.gz OPEAIWPWPYJWDB-AWEZNQCLSA-N 2 2 288.395 1.410 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536654268 361314864 /nfs/dbraw/zinc/31/48/64/361314864.db2.gz OPEAIWPWPYJWDB-AWEZNQCLSA-N 2 2 288.395 1.410 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nn1 ZINC000644166554 364084236 /nfs/dbraw/zinc/08/42/36/364084236.db2.gz ZYIUNMWKTNBSKD-QLFBSQMISA-N 2 2 275.400 1.474 20 30 CDEDLP C[C@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCc2sccc2C1 ZINC000170906293 365158645 /nfs/dbraw/zinc/15/86/45/365158645.db2.gz ZOCZLHQAFFDIJR-SNVBAGLBSA-N 2 2 266.414 1.371 20 30 CDEDLP C[C@H](CNC(=[NH2+])N(C)C)[N@H+]1CCc2sccc2C1 ZINC000170906293 365158649 /nfs/dbraw/zinc/15/86/49/365158649.db2.gz ZOCZLHQAFFDIJR-SNVBAGLBSA-N 2 2 266.414 1.371 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276584413 193390040 /nfs/dbraw/zinc/39/00/40/193390040.db2.gz CGKLJFBPBHFWSC-ABAIWWIYSA-N 2 2 258.369 1.469 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276584413 193390042 /nfs/dbraw/zinc/39/00/42/193390042.db2.gz CGKLJFBPBHFWSC-ABAIWWIYSA-N 2 2 258.369 1.469 20 30 CDEDLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000361549690 374045171 /nfs/dbraw/zinc/04/51/71/374045171.db2.gz PBRODKUIOCVYFL-CYBMUJFWSA-N 2 2 290.411 1.174 20 30 CDEDLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000361549690 374045175 /nfs/dbraw/zinc/04/51/75/374045175.db2.gz PBRODKUIOCVYFL-CYBMUJFWSA-N 2 2 290.411 1.174 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000361557629 374045441 /nfs/dbraw/zinc/04/54/41/374045441.db2.gz SAPAPRRHFQNMBO-INIZCTEOSA-N 2 2 282.347 1.945 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000361557629 374045445 /nfs/dbraw/zinc/04/54/45/374045445.db2.gz SAPAPRRHFQNMBO-INIZCTEOSA-N 2 2 282.347 1.945 20 30 CDEDLP C=C[C@H](C)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342776039 374522786 /nfs/dbraw/zinc/52/27/86/374522786.db2.gz GLGBGLSKFAGVSD-LBPRGKRZSA-N 2 2 254.374 1.568 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000124336098 374785156 /nfs/dbraw/zinc/78/51/56/374785156.db2.gz DBAICOZVJDDFIW-OAHLLOKOSA-N 2 2 289.383 1.013 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000124336098 374785163 /nfs/dbraw/zinc/78/51/63/374785163.db2.gz DBAICOZVJDDFIW-OAHLLOKOSA-N 2 2 289.383 1.013 20 30 CDEDLP Cc1[nH]c(C(=O)NCCC2CC[NH+](C)CC2)c[nH+]1 ZINC000328747780 375942879 /nfs/dbraw/zinc/94/28/79/375942879.db2.gz BBYFYXSZPULQMG-UHFFFAOYSA-N 2 2 250.346 1.755 20 30 CDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442795856 378636848 /nfs/dbraw/zinc/63/68/48/378636848.db2.gz SDSLJRUHLGVGRL-KFWWJZLASA-N 2 2 292.427 1.211 20 30 CDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442795856 378636854 /nfs/dbraw/zinc/63/68/54/378636854.db2.gz SDSLJRUHLGVGRL-KFWWJZLASA-N 2 2 292.427 1.211 20 30 CDEDLP Cn1c[nH+]cc1CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000269834243 391256746 /nfs/dbraw/zinc/25/67/46/391256746.db2.gz ACMJWVAEVOMTHG-UHFFFAOYSA-N 2 2 272.308 1.192 20 30 CDEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC#N)[C@H](C)C1 ZINC000411554105 391479530 /nfs/dbraw/zinc/47/95/30/391479530.db2.gz SQHQGLGSNHBMEA-ZIAGYGMSSA-N 2 2 253.390 1.627 20 30 CDEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC#N)[C@H](C)C1 ZINC000411554105 391479533 /nfs/dbraw/zinc/47/95/33/391479533.db2.gz SQHQGLGSNHBMEA-ZIAGYGMSSA-N 2 2 253.390 1.627 20 30 CDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCC#N ZINC000362231595 391715969 /nfs/dbraw/zinc/71/59/69/391715969.db2.gz UVUOIAUWFRPANB-UHFFFAOYSA-N 2 2 280.416 1.165 20 30 CDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCC#N ZINC000362231595 391715973 /nfs/dbraw/zinc/71/59/73/391715973.db2.gz UVUOIAUWFRPANB-UHFFFAOYSA-N 2 2 280.416 1.165 20 30 CDEDLP COCC[NH2+]CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423328607 392962268 /nfs/dbraw/zinc/96/22/68/392962268.db2.gz KXVXMSTXIGHRBZ-OAHLLOKOSA-N 2 2 259.353 1.371 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000449388826 260485840 /nfs/dbraw/zinc/48/58/40/260485840.db2.gz QJXADZUAXMGWRR-RDBSUJKOSA-N 2 2 251.374 1.115 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000449388826 260485842 /nfs/dbraw/zinc/48/58/42/260485842.db2.gz QJXADZUAXMGWRR-RDBSUJKOSA-N 2 2 251.374 1.115 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2(C)CCCC2)CC1 ZINC000491765073 262016957 /nfs/dbraw/zinc/01/69/57/262016957.db2.gz BDPJVNAYPZKJLJ-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2(C)CCCC2)CC1 ZINC000491765073 262016959 /nfs/dbraw/zinc/01/69/59/262016959.db2.gz BDPJVNAYPZKJLJ-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000368026089 267136904 /nfs/dbraw/zinc/13/69/04/267136904.db2.gz ZZCUTUQFVNYKCO-IAGOWNOFSA-N 2 2 270.376 1.621 20 30 CDEDLP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000368026089 267136906 /nfs/dbraw/zinc/13/69/06/267136906.db2.gz ZZCUTUQFVNYKCO-IAGOWNOFSA-N 2 2 270.376 1.621 20 30 CDEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329812830 276155191 /nfs/dbraw/zinc/15/51/91/276155191.db2.gz DEUVKVXUMQQUIN-CYBMUJFWSA-N 2 2 291.399 1.487 20 30 CDEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329812830 276155193 /nfs/dbraw/zinc/15/51/93/276155193.db2.gz DEUVKVXUMQQUIN-CYBMUJFWSA-N 2 2 291.399 1.487 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCC)C2CCC2)CC1 ZINC000491642754 332261721 /nfs/dbraw/zinc/26/17/21/332261721.db2.gz YHLCAHMYJSDTKO-MRXNPFEDSA-N 2 2 291.439 1.322 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247695180 334288607 /nfs/dbraw/zinc/28/86/07/334288607.db2.gz WOKFBJXELPMNOK-LSDHHAIUSA-N 2 2 294.443 1.553 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247695180 334288609 /nfs/dbraw/zinc/28/86/09/334288609.db2.gz WOKFBJXELPMNOK-LSDHHAIUSA-N 2 2 294.443 1.553 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247695180 334288610 /nfs/dbraw/zinc/28/86/10/334288610.db2.gz WOKFBJXELPMNOK-LSDHHAIUSA-N 2 2 294.443 1.553 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247695180 334288612 /nfs/dbraw/zinc/28/86/12/334288612.db2.gz WOKFBJXELPMNOK-LSDHHAIUSA-N 2 2 294.443 1.553 20 30 CDEDLP C[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000758235563 577087129 /nfs/dbraw/zinc/08/71/29/577087129.db2.gz INVCXWMQOSGWRS-UKRRQHHQSA-N 2 2 297.362 1.457 20 30 CDEDLP C[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000758235563 577087130 /nfs/dbraw/zinc/08/71/30/577087130.db2.gz INVCXWMQOSGWRS-UKRRQHHQSA-N 2 2 297.362 1.457 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCCC)C1 ZINC000950533217 613194366 /nfs/dbraw/zinc/19/43/66/613194366.db2.gz DOLHWAGLBVULQG-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCCC)C1 ZINC000950533217 613194367 /nfs/dbraw/zinc/19/43/67/613194367.db2.gz DOLHWAGLBVULQG-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000951192226 613317165 /nfs/dbraw/zinc/31/71/65/613317165.db2.gz CHVFKDZUKUSJFD-MRXNPFEDSA-N 2 2 293.455 1.971 20 30 CDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000970149745 613484002 /nfs/dbraw/zinc/48/40/02/613484002.db2.gz JJDYMEIVJPVJNR-CYBMUJFWSA-N 2 2 298.390 1.961 20 30 CDEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982171398 613488888 /nfs/dbraw/zinc/48/88/88/613488888.db2.gz IABBUGBUAPKVHI-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982171398 613488889 /nfs/dbraw/zinc/48/88/89/613488889.db2.gz IABBUGBUAPKVHI-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945807449 613521577 /nfs/dbraw/zinc/52/15/77/613521577.db2.gz JQCWFZSADLEFND-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945807449 613521578 /nfs/dbraw/zinc/52/15/78/613521578.db2.gz JQCWFZSADLEFND-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968597351 613531313 /nfs/dbraw/zinc/53/13/13/613531313.db2.gz WFSOLIYDUNOQTK-SWLSCSKDSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968597351 613531315 /nfs/dbraw/zinc/53/13/15/613531315.db2.gz WFSOLIYDUNOQTK-SWLSCSKDSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947929962 613535504 /nfs/dbraw/zinc/53/55/04/613535504.db2.gz PIJHIOAHDSAADU-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947929962 613535506 /nfs/dbraw/zinc/53/55/06/613535506.db2.gz PIJHIOAHDSAADU-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595805 613571391 /nfs/dbraw/zinc/57/13/91/613571391.db2.gz DSOASKOHYIYRHY-DOMZBBRYSA-N 2 2 288.395 1.111 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595805 613571395 /nfs/dbraw/zinc/57/13/95/613571395.db2.gz DSOASKOHYIYRHY-DOMZBBRYSA-N 2 2 288.395 1.111 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000950089567 613656009 /nfs/dbraw/zinc/65/60/09/613656009.db2.gz HJNCPKZQNKCACA-LSDHHAIUSA-N 2 2 291.439 1.580 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000950089567 613656010 /nfs/dbraw/zinc/65/60/10/613656010.db2.gz HJNCPKZQNKCACA-LSDHHAIUSA-N 2 2 291.439 1.580 20 30 CDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969969589 613664738 /nfs/dbraw/zinc/66/47/38/613664738.db2.gz CWPGSQFYKGMFHN-LLVKDONJSA-N 2 2 284.363 1.799 20 30 CDEDLP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981550228 613871617 /nfs/dbraw/zinc/87/16/17/613871617.db2.gz KQNYISJFFYHOHO-QWHCGFSZSA-N 2 2 262.357 1.086 20 30 CDEDLP CN(C)c1cc[nH+]c(C[NH2+]C[C@H](O)CC(C)(C)C#N)c1 ZINC000905520020 626850413 /nfs/dbraw/zinc/85/04/13/626850413.db2.gz YHKMDFKNWDBXQW-CQSZACIVSA-N 2 2 276.384 1.538 20 30 CDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157884973 1162496526 /nfs/dbraw/zinc/49/65/26/1162496526.db2.gz MOWQEYQBKNAJOA-CQSZACIVSA-N 2 2 288.395 1.288 20 30 CDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157884973 1162496529 /nfs/dbraw/zinc/49/65/29/1162496529.db2.gz MOWQEYQBKNAJOA-CQSZACIVSA-N 2 2 288.395 1.288 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001752942898 1161978734 /nfs/dbraw/zinc/97/87/34/1161978734.db2.gz HFWXKQQJCZESHG-KGLIPLIRSA-N 2 2 288.395 1.070 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132274015 1163224927 /nfs/dbraw/zinc/22/49/27/1163224927.db2.gz NCFXLOGKUGXXPO-OLZOCXBDSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132274015 1163224935 /nfs/dbraw/zinc/22/49/35/1163224935.db2.gz NCFXLOGKUGXXPO-OLZOCXBDSA-N 2 2 287.835 1.660 20 30 CDEDLP Cn1cc(C[NH2+]CC[NH3+])c(-c2ccc(C#N)cc2)n1 ZINC001574213315 1170921667 /nfs/dbraw/zinc/92/16/67/1170921667.db2.gz WYGPXLMRGNZGEU-UHFFFAOYSA-N 2 2 255.325 1.007 20 30 CDEDLP N#CCC[N@@H+](Cc1cccnc1)CC1CC[NH2+]CC1 ZINC000132290939 1175791020 /nfs/dbraw/zinc/79/10/20/1175791020.db2.gz STOWQVOLODQHQV-UHFFFAOYSA-N 2 2 258.369 1.797 20 30 CDEDLP N#CCC[N@H+](Cc1cccnc1)CC1CC[NH2+]CC1 ZINC000132290939 1175791023 /nfs/dbraw/zinc/79/10/23/1175791023.db2.gz STOWQVOLODQHQV-UHFFFAOYSA-N 2 2 258.369 1.797 20 30 CDEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001752648055 1184888421 /nfs/dbraw/zinc/88/84/21/1184888421.db2.gz WEOVQXIBTOUZCO-SHTZXODSSA-N 2 2 285.391 1.881 20 30 CDEDLP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001753696978 1185305701 /nfs/dbraw/zinc/30/57/01/1185305701.db2.gz QRTOYMSTTXHSQT-JHJVBQTASA-N 2 2 276.384 1.526 20 30 CDEDLP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001753696978 1185305708 /nfs/dbraw/zinc/30/57/08/1185305708.db2.gz QRTOYMSTTXHSQT-JHJVBQTASA-N 2 2 276.384 1.526 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001754828948 1185741725 /nfs/dbraw/zinc/74/17/25/1185741725.db2.gz UFGVSTNYGDALPF-UONOGXRCSA-N 2 2 276.384 1.143 20 30 CDEDLP C=CC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001755072563 1185806707 /nfs/dbraw/zinc/80/67/07/1185806707.db2.gz LEZBKKYFHFOPHN-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192651 730905499 /nfs/dbraw/zinc/90/54/99/730905499.db2.gz UGDOKOHFPXQAIC-ZDUSSCGKSA-N 2 2 282.347 1.342 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192651 730905513 /nfs/dbraw/zinc/90/55/13/730905513.db2.gz UGDOKOHFPXQAIC-ZDUSSCGKSA-N 2 2 282.347 1.342 20 30 CDEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992530149 730984186 /nfs/dbraw/zinc/98/41/86/730984186.db2.gz JMWOZRJJKNKBIQ-GOEBONIOSA-N 2 2 286.379 1.020 20 30 CDEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992530149 730984193 /nfs/dbraw/zinc/98/41/93/730984193.db2.gz JMWOZRJJKNKBIQ-GOEBONIOSA-N 2 2 286.379 1.020 20 30 CDEDLP N#CCC[C@@H](C#N)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000819061206 731055307 /nfs/dbraw/zinc/05/53/07/731055307.db2.gz KCFVTHQMSGRNEC-GOEBONIOSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007705805 731079536 /nfs/dbraw/zinc/07/95/36/731079536.db2.gz OFRBZYJCEARFSA-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007705805 731079551 /nfs/dbraw/zinc/07/95/51/731079551.db2.gz OFRBZYJCEARFSA-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP COc1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1C#N ZINC000817915089 731607754 /nfs/dbraw/zinc/60/77/54/731607754.db2.gz HTBOWPFANQTTQQ-WFASDCNBSA-N 2 2 289.379 1.423 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000995895151 731614530 /nfs/dbraw/zinc/61/45/30/731614530.db2.gz WBMOFMZDDDDKNC-ZDUSSCGKSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000995895151 731614531 /nfs/dbraw/zinc/61/45/31/731614531.db2.gz WBMOFMZDDDDKNC-ZDUSSCGKSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036908801 731652716 /nfs/dbraw/zinc/65/27/16/731652716.db2.gz UDPGAGMRMIEHCG-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036908801 731652724 /nfs/dbraw/zinc/65/27/24/731652724.db2.gz UDPGAGMRMIEHCG-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790377696 731728390 /nfs/dbraw/zinc/72/83/90/731728390.db2.gz XVZNCOXNELAOEQ-OAHLLOKOSA-N 2 2 279.384 1.368 20 30 CDEDLP C=C(C)C[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790377696 731728395 /nfs/dbraw/zinc/72/83/95/731728395.db2.gz XVZNCOXNELAOEQ-OAHLLOKOSA-N 2 2 279.384 1.368 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001032827176 731757702 /nfs/dbraw/zinc/75/77/02/731757702.db2.gz PNIRGCCMLVPKFC-ILXRZTDVSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC001032827176 731757710 /nfs/dbraw/zinc/75/77/10/731757710.db2.gz PNIRGCCMLVPKFC-ILXRZTDVSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001032827176 731757715 /nfs/dbraw/zinc/75/77/15/731757715.db2.gz PNIRGCCMLVPKFC-ILXRZTDVSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001032827176 731757721 /nfs/dbraw/zinc/75/77/21/731757721.db2.gz PNIRGCCMLVPKFC-ILXRZTDVSA-N 2 2 295.402 1.023 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000987431708 731797074 /nfs/dbraw/zinc/79/70/74/731797074.db2.gz DFBCFAWHSLWISL-UKRRQHHQSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001042173124 731904560 /nfs/dbraw/zinc/90/45/60/731904560.db2.gz LWLRKFAPFFJYOA-CABCVRRESA-N 2 2 288.395 1.382 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001042173124 731904568 /nfs/dbraw/zinc/90/45/68/731904568.db2.gz LWLRKFAPFFJYOA-CABCVRRESA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033579915 732114403 /nfs/dbraw/zinc/11/44/03/732114403.db2.gz AVIQLOORJOZPIW-KGLIPLIRSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033579915 732114406 /nfs/dbraw/zinc/11/44/06/732114406.db2.gz AVIQLOORJOZPIW-KGLIPLIRSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033579915 732114408 /nfs/dbraw/zinc/11/44/08/732114408.db2.gz AVIQLOORJOZPIW-KGLIPLIRSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033579915 732114411 /nfs/dbraw/zinc/11/44/11/732114411.db2.gz AVIQLOORJOZPIW-KGLIPLIRSA-N 2 2 299.846 1.613 20 30 CDEDLP C=CC[N@@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985562896 732176847 /nfs/dbraw/zinc/17/68/47/732176847.db2.gz SAJJQXUCTKNREW-UHFFFAOYSA-N 2 2 276.384 1.382 20 30 CDEDLP C=CC[N@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985562896 732176851 /nfs/dbraw/zinc/17/68/51/732176851.db2.gz SAJJQXUCTKNREW-UHFFFAOYSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759557 732309479 /nfs/dbraw/zinc/30/94/79/732309479.db2.gz SMMMBTNBFZMQSX-GJZGRUSLSA-N 2 2 288.395 1.214 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759557 732309482 /nfs/dbraw/zinc/30/94/82/732309482.db2.gz SMMMBTNBFZMQSX-GJZGRUSLSA-N 2 2 288.395 1.214 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001039367454 732314071 /nfs/dbraw/zinc/31/40/71/732314071.db2.gz DKQOEAKFPZBJOF-KGLIPLIRSA-N 2 2 288.395 1.594 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001039367454 732314081 /nfs/dbraw/zinc/31/40/81/732314081.db2.gz DKQOEAKFPZBJOF-KGLIPLIRSA-N 2 2 288.395 1.594 20 30 CDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992538511 732527673 /nfs/dbraw/zinc/52/76/73/732527673.db2.gz WBIZRDKLVNAHFL-GDBMZVCRSA-N 2 2 286.379 1.020 20 30 CDEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992538511 732527681 /nfs/dbraw/zinc/52/76/81/732527681.db2.gz WBIZRDKLVNAHFL-GDBMZVCRSA-N 2 2 286.379 1.020 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC ZINC001024486661 732668817 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C#CC[N@@H+](C)CCC[NH2+]Cc1cccnc1N(C)C ZINC001353562414 968067931 /nfs/dbraw/zinc/06/79/31/968067931.db2.gz VKQYCZUXOZCOAH-UHFFFAOYSA-N 2 2 260.385 1.192 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccnc1N(C)C ZINC001353562414 968067942 /nfs/dbraw/zinc/06/79/42/968067942.db2.gz VKQYCZUXOZCOAH-UHFFFAOYSA-N 2 2 260.385 1.192 20 30 CDEDLP C=CCCC[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100392583 968212802 /nfs/dbraw/zinc/21/28/02/968212802.db2.gz OWQDIPKSNUEKMR-UHFFFAOYSA-N 2 2 290.411 1.793 20 30 CDEDLP C=CCCC[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100392583 968212814 /nfs/dbraw/zinc/21/28/14/968212814.db2.gz OWQDIPKSNUEKMR-UHFFFAOYSA-N 2 2 290.411 1.793 20 30 CDEDLP N#Cc1cccc([C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC001460045468 969471114 /nfs/dbraw/zinc/47/11/14/969471114.db2.gz DWQJTBOOAZRDFX-HNNXBMFYSA-N 2 2 297.362 1.137 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001405686691 975819702 /nfs/dbraw/zinc/81/97/02/975819702.db2.gz JQTAASRMFJPDGT-LLVKDONJSA-N 2 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C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629569965 363022863 /nfs/dbraw/zinc/02/28/63/363022863.db2.gz ZPDIYLLONFTNQC-HBNTYKKESA-N 2 2 293.333 1.136 20 30 CDEDLP CCOc1cccc(/C=[NH+]/CCN2CC[NH+](C)CC2)c1O ZINC000022867019 356622897 /nfs/dbraw/zinc/62/28/97/356622897.db2.gz QJJZSLGCMJUDGG-GHRIWEEISA-N 2 2 291.395 1.457 20 30 CDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CC2 ZINC000570036855 359274068 /nfs/dbraw/zinc/27/40/68/359274068.db2.gz WJNKYASUKPTULF-ZFWWWQNUSA-N 2 2 257.337 1.124 20 30 CDEDLP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccco1 ZINC000428213152 360702859 /nfs/dbraw/zinc/70/28/59/360702859.db2.gz QQIGPMCKJGSKMT-STQMWFEESA-N 2 2 252.358 1.799 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000429698006 360868616 /nfs/dbraw/zinc/86/86/16/360868616.db2.gz LRGGPFHUPBNFNN-CHWSQXEVSA-N 2 2 259.357 1.234 20 30 CDEDLP C=CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758467 375576118 /nfs/dbraw/zinc/57/61/18/375576118.db2.gz 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N#Cc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252667276 140322308 /nfs/dbraw/zinc/32/23/08/140322308.db2.gz HZUARUQTQKSRHF-HOTGVXAUSA-N 2 2 271.364 1.511 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252667276 140322310 /nfs/dbraw/zinc/32/23/10/140322310.db2.gz HZUARUQTQKSRHF-HOTGVXAUSA-N 2 2 271.364 1.511 20 30 CDEDLP C=CCOCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474865 413153047 /nfs/dbraw/zinc/15/30/47/413153047.db2.gz NWQOWRXSAKVZSW-HNNXBMFYSA-N 2 2 268.401 1.376 20 30 CDEDLP C=CCOCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474865 413153051 /nfs/dbraw/zinc/15/30/51/413153051.db2.gz NWQOWRXSAKVZSW-HNNXBMFYSA-N 2 2 268.401 1.376 20 30 CDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000162896002 261297678 /nfs/dbraw/zinc/29/76/78/261297678.db2.gz GJIJCZYXOJUUJT-HNNXBMFYSA-N 3 2 289.427 1.321 20 30 CDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000162896002 261297682 /nfs/dbraw/zinc/29/76/82/261297682.db2.gz GJIJCZYXOJUUJT-HNNXBMFYSA-N 3 2 289.427 1.321 20 30 CDEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1OC ZINC000414892275 263102745 /nfs/dbraw/zinc/10/27/45/263102745.db2.gz XUQUNAXYIVWDEN-ZDUSSCGKSA-N 2 2 262.353 1.712 20 30 CDEDLP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccon1)c1ccon1 ZINC000341906785 263364776 /nfs/dbraw/zinc/36/47/76/263364776.db2.gz ANZLITOSNMKIOY-RYUDHWBXSA-N 2 2 274.324 1.667 20 30 CDEDLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000447535645 280189479 /nfs/dbraw/zinc/18/94/79/280189479.db2.gz HMJXEISSBGJOAA-IAGOWNOFSA-N 2 2 286.423 1.845 20 30 CDEDLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000447535645 280189481 /nfs/dbraw/zinc/18/94/81/280189481.db2.gz HMJXEISSBGJOAA-IAGOWNOFSA-N 2 2 286.423 1.845 20 30 CDEDLP N#Cc1cccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1F ZINC000577122694 317270713 /nfs/dbraw/zinc/27/07/13/317270713.db2.gz WJBQQWDWRNVBGD-UHFFFAOYSA-N 2 2 285.326 1.743 20 30 CDEDLP COc1cccc([C@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)c1 ZINC000261778408 327274352 /nfs/dbraw/zinc/27/43/52/327274352.db2.gz PFULLFQDAMFTPB-RISCZKNCSA-N 2 2 276.384 1.235 20 30 CDEDLP C=CCCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000515467568 330477675 /nfs/dbraw/zinc/47/76/75/330477675.db2.gz DDGNVPUULFUOCG-IHRRRGAJSA-N 2 2 256.390 1.012 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000491164670 332158912 /nfs/dbraw/zinc/15/89/12/332158912.db2.gz DIPMZHPGBWSAOO-GJZGRUSLSA-N 3 2 251.418 1.261 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000491164670 332158913 /nfs/dbraw/zinc/15/89/13/332158913.db2.gz DIPMZHPGBWSAOO-GJZGRUSLSA-N 3 2 251.418 1.261 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](CC)C[C@@H]1C ZINC000491164670 332158915 /nfs/dbraw/zinc/15/89/15/332158915.db2.gz DIPMZHPGBWSAOO-GJZGRUSLSA-N 3 2 251.418 1.261 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000730282305 574909744 /nfs/dbraw/zinc/90/97/44/574909744.db2.gz FWCPOVDDWZJINJ-KGLIPLIRSA-N 2 2 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C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038341705 735260130 /nfs/dbraw/zinc/26/01/30/735260130.db2.gz SXJPUGBWQOYZLO-CVEARBPZSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038341705 735260133 /nfs/dbraw/zinc/26/01/33/735260133.db2.gz SXJPUGBWQOYZLO-CVEARBPZSA-N 2 2 289.423 1.217 20 30 CDEDLP CC(C)NC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000303892630 735653693 /nfs/dbraw/zinc/65/36/93/735653693.db2.gz NTFWYDSNXHFPDR-ZDUSSCGKSA-N 2 2 266.364 1.741 20 30 CDEDLP C=CC[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C(C)C ZINC000790372192 735727512 /nfs/dbraw/zinc/72/75/12/735727512.db2.gz TZBGENMVUZPEKE-MRXNPFEDSA-N 2 2 293.411 1.757 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000987341085 736016098 /nfs/dbraw/zinc/01/60/98/736016098.db2.gz IBYNGZVSXDLEMZ-YPMHNXCESA-N 2 2 296.802 1.294 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705131 914168503 /nfs/dbraw/zinc/16/85/03/914168503.db2.gz SUEZWSVFBAAPBM-CHWSQXEVSA-N 2 2 276.384 1.212 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000328105461 899090899 /nfs/dbraw/zinc/09/08/99/899090899.db2.gz MKVSHSPUYMBVGX-UHFFFAOYSA-N 2 2 261.325 1.640 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000328105461 899090915 /nfs/dbraw/zinc/09/09/15/899090915.db2.gz MKVSHSPUYMBVGX-UHFFFAOYSA-N 2 2 261.325 1.640 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404540 914660256 /nfs/dbraw/zinc/66/02/56/914660256.db2.gz CPXVMJOYTICUEQ-ZDUSSCGKSA-N 2 2 264.373 1.334 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1CC ZINC001087797603 905856758 /nfs/dbraw/zinc/85/67/58/905856758.db2.gz YEIYMAWIUITHCE-UONOGXRCSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1CC ZINC001087797603 905856767 /nfs/dbraw/zinc/85/67/67/905856767.db2.gz YEIYMAWIUITHCE-UONOGXRCSA-N 2 2 276.384 1.118 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088667077 908757871 /nfs/dbraw/zinc/75/78/71/908757871.db2.gz WWWLPTYJMWRLDI-ILXRZTDVSA-N 2 2 277.412 1.073 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088667077 908757878 /nfs/dbraw/zinc/75/78/78/908757878.db2.gz WWWLPTYJMWRLDI-ILXRZTDVSA-N 2 2 277.412 1.073 20 30 CDEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088667077 908757893 /nfs/dbraw/zinc/75/78/93/908757893.db2.gz WWWLPTYJMWRLDI-ILXRZTDVSA-N 2 2 277.412 1.073 20 30 CDEDLP C=CC[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097729 915748314 /nfs/dbraw/zinc/74/83/14/915748314.db2.gz RJAFWEMAABQECM-UHFFFAOYSA-N 2 2 292.427 1.805 20 30 CDEDLP C#CC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179706062 915945374 /nfs/dbraw/zinc/94/53/74/915945374.db2.gz UYMOIHCHGNNEMJ-OAHLLOKOSA-N 2 2 290.411 1.734 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001054795440 936472523 /nfs/dbraw/zinc/47/25/23/936472523.db2.gz XJOLPGKZCDIZEE-OCCSQVGLSA-N 2 2 289.379 1.255 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001183731071 918650283 /nfs/dbraw/zinc/65/02/83/918650283.db2.gz KJFWHRKOPPKZIQ-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098398880 936751131 /nfs/dbraw/zinc/75/11/31/936751131.db2.gz OOEXYIAVILLOLV-DGAVXFQQSA-N 2 2 297.830 1.412 20 30 CDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001098398880 936751133 /nfs/dbraw/zinc/75/11/33/936751133.db2.gz OOEXYIAVILLOLV-DGAVXFQQSA-N 2 2 297.830 1.412 20 30 CDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098398880 936751134 /nfs/dbraw/zinc/75/11/34/936751134.db2.gz OOEXYIAVILLOLV-DGAVXFQQSA-N 2 2 297.830 1.412 20 30 CDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098398880 936751136 /nfs/dbraw/zinc/75/11/36/936751136.db2.gz OOEXYIAVILLOLV-DGAVXFQQSA-N 2 2 297.830 1.412 20 30 CDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192576966 923155258 /nfs/dbraw/zinc/15/52/58/923155258.db2.gz BWFDFJNVPZFBCJ-HUUCEWRRSA-N 2 2 288.395 1.390 20 30 CDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192576966 923155262 /nfs/dbraw/zinc/15/52/62/923155262.db2.gz BWFDFJNVPZFBCJ-HUUCEWRRSA-N 2 2 288.395 1.390 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981996 924465487 /nfs/dbraw/zinc/46/54/87/924465487.db2.gz JZCPGOIQJLEYQU-UMVBOHGHSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981996 924465491 /nfs/dbraw/zinc/46/54/91/924465491.db2.gz JZCPGOIQJLEYQU-UMVBOHGHSA-N 2 2 288.395 1.068 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](C(C)C)C[C@H]21 ZINC001084417756 925244816 /nfs/dbraw/zinc/24/48/16/925244816.db2.gz CDKMHKZGICOZAM-OWCLPIDISA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](C(C)C)C[C@H]21 ZINC001084417756 925244821 /nfs/dbraw/zinc/24/48/21/925244821.db2.gz CDKMHKZGICOZAM-OWCLPIDISA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](C(C)C)C[C@H]21 ZINC001084417756 925244828 /nfs/dbraw/zinc/24/48/28/925244828.db2.gz CDKMHKZGICOZAM-OWCLPIDISA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](C(C)C)C[C@H]21 ZINC001084417756 925244833 /nfs/dbraw/zinc/24/48/33/925244833.db2.gz CDKMHKZGICOZAM-OWCLPIDISA-N 2 2 289.423 1.025 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085930055 926522817 /nfs/dbraw/zinc/52/28/17/926522817.db2.gz MSXYIKJXLWHBKR-ZDUSSCGKSA-N 2 2 288.395 1.480 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085930055 926522824 /nfs/dbraw/zinc/52/28/24/926522824.db2.gz MSXYIKJXLWHBKR-ZDUSSCGKSA-N 2 2 288.395 1.480 20 30 CDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110641653 927694565 /nfs/dbraw/zinc/69/45/65/927694565.db2.gz VSBNOWXRGJJLGK-KFWWJZLASA-N 2 2 288.395 1.640 20 30 CDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110641653 927694570 /nfs/dbraw/zinc/69/45/70/927694570.db2.gz VSBNOWXRGJJLGK-KFWWJZLASA-N 2 2 288.395 1.640 20 30 CDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110641653 927694581 /nfs/dbraw/zinc/69/45/81/927694581.db2.gz VSBNOWXRGJJLGK-KFWWJZLASA-N 2 2 288.395 1.640 20 30 CDEDLP CCC[NH+]1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000783299352 937271719 /nfs/dbraw/zinc/27/17/19/937271719.db2.gz BGDQFPIFPTWMDP-UHFFFAOYSA-N 2 2 258.369 1.917 20 30 CDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109545615 928968894 /nfs/dbraw/zinc/96/88/94/928968894.db2.gz FIFHOKTXLWJFNE-RDBSUJKOSA-N 2 2 288.395 1.260 20 30 CDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109545615 928968903 /nfs/dbraw/zinc/96/89/03/928968903.db2.gz FIFHOKTXLWJFNE-RDBSUJKOSA-N 2 2 288.395 1.260 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135775284 930405604 /nfs/dbraw/zinc/40/56/04/930405604.db2.gz XBXNAEXBAPHDRH-GHMZBOCLSA-N 2 2 284.791 1.578 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945201 930552608 /nfs/dbraw/zinc/55/26/08/930552608.db2.gz WJLLSHZKMOLBLG-STQMWFEESA-N 2 2 278.400 1.412 20 30 CDEDLP C=CC[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC001118198892 937601606 /nfs/dbraw/zinc/60/16/06/937601606.db2.gz YAHAQZQSBBFHHQ-UHFFFAOYSA-N 2 2 273.380 1.106 20 30 CDEDLP C=CC[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC001118198892 937601607 /nfs/dbraw/zinc/60/16/07/937601607.db2.gz YAHAQZQSBBFHHQ-UHFFFAOYSA-N 2 2 273.380 1.106 20 30 CDEDLP N#Cc1ccc([N+](=O)[O-])c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155058323 937629182 /nfs/dbraw/zinc/62/91/82/937629182.db2.gz WPMKIFHFTNGGBS-UHFFFAOYSA-N 2 2 298.306 1.514 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039443684 935775283 /nfs/dbraw/zinc/77/52/83/935775283.db2.gz ZKTVGLKUUDIBSN-CABCVRRESA-N 2 2 288.395 1.594 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039443684 935775285 /nfs/dbraw/zinc/77/52/85/935775285.db2.gz ZKTVGLKUUDIBSN-CABCVRRESA-N 2 2 288.395 1.594 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(CC#N)cc2Cl)CC1 ZINC001157916291 938562702 /nfs/dbraw/zinc/56/27/02/938562702.db2.gz RQPHDURHTGCZKH-UHFFFAOYSA-N 2 2 292.774 1.395 20 30 CDEDLP Cc1cc(C#N)c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc1C ZINC001158258753 938601541 /nfs/dbraw/zinc/60/15/41/938601541.db2.gz IKYOJRRDAYXIRS-HNNXBMFYSA-N 2 2 299.422 1.572 20 30 CDEDLP Cc1cc(C#N)c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc1C ZINC001158258753 938601542 /nfs/dbraw/zinc/60/15/42/938601542.db2.gz IKYOJRRDAYXIRS-HNNXBMFYSA-N 2 2 299.422 1.572 20 30 CDEDLP C=CC[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964429 938762492 /nfs/dbraw/zinc/76/24/92/938762492.db2.gz LQBGPYHWJYOLAV-UHFFFAOYSA-N 2 2 288.395 1.667 20 30 CDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964429 938762494 /nfs/dbraw/zinc/76/24/94/938762494.db2.gz LQBGPYHWJYOLAV-UHFFFAOYSA-N 2 2 288.395 1.667 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161314593 938887470 /nfs/dbraw/zinc/88/74/70/938887470.db2.gz DMUMKQBEPTVCIX-AWEZNQCLSA-N 2 2 290.411 1.508 20 30 CDEDLP N#Cc1cc(Cl)cnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161870861 938937698 /nfs/dbraw/zinc/93/76/98/938937698.db2.gz QCUHRROUMLNUNJ-UHFFFAOYSA-N 2 2 279.775 1.442 20 30 CDEDLP C=CCn1ccc2c1nc[nH+]c2NC[C@@H]1C[N@H+](C)CCO1 ZINC001162682925 939115116 /nfs/dbraw/zinc/11/51/16/939115116.db2.gz KQNPPBMZKGYGEZ-GFCCVEGCSA-N 2 2 287.367 1.360 20 30 CDEDLP C=CCn1ccc2c1nc[nH+]c2NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162682925 939115118 /nfs/dbraw/zinc/11/51/18/939115118.db2.gz KQNPPBMZKGYGEZ-GFCCVEGCSA-N 2 2 287.367 1.360 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166401969 939607847 /nfs/dbraw/zinc/60/78/47/939607847.db2.gz KHVVJBSPHPBTCB-NSHDSACASA-N 2 2 262.357 1.112 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420761 940329976 /nfs/dbraw/zinc/32/99/76/940329976.db2.gz RJSXUSLCUPQQSY-CQSZACIVSA-N 2 2 296.374 1.780 20 30 CDEDLP N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218951299 941292296 /nfs/dbraw/zinc/29/22/96/941292296.db2.gz DKDUJGYZUUZXKX-WPRPVWTQSA-N 2 2 298.268 1.062 20 30 CDEDLP CC(C)C[C@@](C)(C#N)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001221292240 941513435 /nfs/dbraw/zinc/51/34/35/941513435.db2.gz HZKZFZGSVSLBRR-HOCLYGCPSA-N 2 2 288.395 1.703 20 30 CDEDLP C#CCCC1(CCNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)N=N1 ZINC001221408169 941531300 /nfs/dbraw/zinc/53/13/00/941531300.db2.gz HFSPTKOJOKDGPH-AWEZNQCLSA-N 2 2 299.378 1.341 20 30 CDEDLP C=CCCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228535258 942332680 /nfs/dbraw/zinc/33/26/80/942332680.db2.gz UCZPGFBCUVXYSB-UHFFFAOYSA-N 2 2 290.411 1.820 20 30 CDEDLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232681306 943362543 /nfs/dbraw/zinc/36/25/43/943362543.db2.gz PEXYTJOWXCNAQH-GJZGRUSLSA-N 2 2 271.364 1.647 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235355653 944134333 /nfs/dbraw/zinc/13/43/33/944134333.db2.gz RMSCUKLQWSOWAU-ZDUSSCGKSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235355653 944134335 /nfs/dbraw/zinc/13/43/35/944134335.db2.gz RMSCUKLQWSOWAU-ZDUSSCGKSA-N 2 2 265.401 1.189 20 30 CDEDLP CC[NH+](CC)CCC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001258910391 945448069 /nfs/dbraw/zinc/44/80/69/945448069.db2.gz QYMOUSDHKKVQEO-KBPBESRZSA-N 2 2 252.406 1.294 20 30 CDEDLP N#Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246359546 948131626 /nfs/dbraw/zinc/13/16/26/948131626.db2.gz BVLXEKUXIBCARE-GOSISDBHSA-N 2 2 298.434 1.864 20 30 CDEDLP N#Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC001246359546 948131633 /nfs/dbraw/zinc/13/16/33/948131633.db2.gz BVLXEKUXIBCARE-GOSISDBHSA-N 2 2 298.434 1.864 20 30 CDEDLP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001252470611 951318856 /nfs/dbraw/zinc/31/88/56/951318856.db2.gz MWVMAQNTDQAQJK-STQMWFEESA-N 2 2 265.357 1.153 20 30 CDEDLP C=CCOC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001252470611 951318872 /nfs/dbraw/zinc/31/88/72/951318872.db2.gz MWVMAQNTDQAQJK-STQMWFEESA-N 2 2 265.357 1.153 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001480625023 971814338 /nfs/dbraw/zinc/81/43/38/971814338.db2.gz VYNFSBHTFVWCRI-AWEZNQCLSA-N 2 2 276.384 1.430 20 30 CDEDLP C#C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC001308883361 956592066 /nfs/dbraw/zinc/59/20/66/956592066.db2.gz RFULHYWZMAVFHW-LZWOXQAQSA-N 2 2 264.413 1.613 20 30 CDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001316981762 957177091 /nfs/dbraw/zinc/17/70/91/957177091.db2.gz QXGUXDFFJPAMKZ-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001316981762 957177095 /nfs/dbraw/zinc/17/70/95/957177095.db2.gz QXGUXDFFJPAMKZ-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001374521489 973999742 /nfs/dbraw/zinc/99/97/42/973999742.db2.gz XRPQPTMOJWLODI-GFCCVEGCSA-N 2 2 273.808 1.223 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001374521489 973999755 /nfs/dbraw/zinc/99/97/55/973999755.db2.gz XRPQPTMOJWLODI-GFCCVEGCSA-N 2 2 273.808 1.223 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374521489 973999764 /nfs/dbraw/zinc/99/97/64/973999764.db2.gz XRPQPTMOJWLODI-GFCCVEGCSA-N 2 2 273.808 1.223 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374521489 973999768 /nfs/dbraw/zinc/99/97/68/973999768.db2.gz XRPQPTMOJWLODI-GFCCVEGCSA-N 2 2 273.808 1.223 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001377080309 974877487 /nfs/dbraw/zinc/87/74/87/974877487.db2.gz WAYUVQOHBJKVPR-SNVBAGLBSA-N 2 2 270.764 1.189 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001377481357 975044414 /nfs/dbraw/zinc/04/44/14/975044414.db2.gz WBPQBUMKDBOWCP-ZDUSSCGKSA-N 2 2 296.802 1.382 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001377481357 975044421 /nfs/dbraw/zinc/04/44/21/975044421.db2.gz WBPQBUMKDBOWCP-ZDUSSCGKSA-N 2 2 296.802 1.382 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001390698124 976441395 /nfs/dbraw/zinc/44/13/95/976441395.db2.gz PKQCUFRQUOSFDJ-LBPRGKRZSA-N 2 2 284.791 1.510 20 30 CDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133195131 1163603429 /nfs/dbraw/zinc/60/34/29/1163603429.db2.gz OMAIOLQRQFMWKH-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H](O)c1cccc(C#N)c1 ZINC001576487337 1171436019 /nfs/dbraw/zinc/43/60/19/1171436019.db2.gz KOMNNMWBCMETTG-UONOGXRCSA-N 2 2 259.353 1.322 20 30 CDEDLP Cc1cc[nH+]cc1CCC[NH2+]CCn1cnc(C#N)n1 ZINC000289860923 361852441 /nfs/dbraw/zinc/85/24/41/361852441.db2.gz VIOUWSRMOBIKOC-UHFFFAOYSA-N 2 2 270.340 1.076 20 30 CDEDLP N#Cc1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn2ccccc12 ZINC000107579721 349707311 /nfs/dbraw/zinc/70/73/11/349707311.db2.gz XDGDWSZCHPZSDU-CHWSQXEVSA-N 2 2 266.348 1.462 20 30 CDEDLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000595513234 343082115 /nfs/dbraw/zinc/08/21/15/343082115.db2.gz SSQYMNDWLJUVEH-CQSZACIVSA-N 2 2 267.417 1.751 20 30 CDEDLP C=CCCSCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000596649160 343370918 /nfs/dbraw/zinc/37/09/18/343370918.db2.gz CAEKGQLMKZCRNT-ZIAGYGMSSA-N 2 2 270.442 1.652 20 30 CDEDLP N#CCC1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000602783288 344597758 /nfs/dbraw/zinc/59/77/58/344597758.db2.gz ONUQCCCCCQSOAP-AWEZNQCLSA-N 2 2 263.385 1.334 20 30 CDEDLP N#CCC1(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000602783288 344597761 /nfs/dbraw/zinc/59/77/61/344597761.db2.gz ONUQCCCCCQSOAP-AWEZNQCLSA-N 2 2 263.385 1.334 20 30 CDEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCOC)c1ccco1 ZINC000264077130 362959556 /nfs/dbraw/zinc/95/95/56/362959556.db2.gz GAOUEMTXKZQDMM-GFCCVEGCSA-N 2 2 282.388 1.213 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264117757 362971691 /nfs/dbraw/zinc/97/16/91/362971691.db2.gz TWYVGRFCAZIBRC-CMPLNLGQSA-N 2 2 284.429 1.290 20 30 CDEDLP N#Cc1ccc(O[C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000292150953 198182416 /nfs/dbraw/zinc/18/24/16/198182416.db2.gz KDJXHFCRHLBMFN-AWEZNQCLSA-N 2 2 283.335 1.303 20 30 CDEDLP N#Cc1ccc(O[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000292150953 198182418 /nfs/dbraw/zinc/18/24/18/198182418.db2.gz KDJXHFCRHLBMFN-AWEZNQCLSA-N 2 2 283.335 1.303 20 30 CDEDLP C[C@H](C[NH2+]Cc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000120258079 357482757 /nfs/dbraw/zinc/48/27/57/357482757.db2.gz LFEVLUPOQZNPFZ-CQSZACIVSA-N 2 2 273.380 1.616 20 30 CDEDLP C#CCC[NH+]1CCN(c2cc[nH+]cc2Br)CC1 ZINC000274775671 359519481 /nfs/dbraw/zinc/51/94/81/359519481.db2.gz CGBRBMQLIDZHIA-UHFFFAOYSA-N 2 2 294.196 1.989 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)C1=O ZINC000337171999 360007821 /nfs/dbraw/zinc/00/78/21/360007821.db2.gz GHQWXDXSXIMISY-GJZGRUSLSA-N 2 2 279.428 1.437 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+](CC)CC)C2)C1=O ZINC000337171999 360007824 /nfs/dbraw/zinc/00/78/24/360007824.db2.gz GHQWXDXSXIMISY-GJZGRUSLSA-N 2 2 279.428 1.437 20 30 CDEDLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000176947061 189016431 /nfs/dbraw/zinc/01/64/31/189016431.db2.gz BLNBKTVGHVSNES-UHFFFAOYSA-N 2 2 267.398 1.678 20 30 CDEDLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000176947061 189016432 /nfs/dbraw/zinc/01/64/32/189016432.db2.gz BLNBKTVGHVSNES-UHFFFAOYSA-N 2 2 267.398 1.678 20 30 CDEDLP CN(C(=O)NCc1[nH+]ccn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329408535 361501893 /nfs/dbraw/zinc/50/18/93/361501893.db2.gz CNYFLWYBIPXQON-FUNVUKJBSA-N 2 2 291.399 1.391 20 30 CDEDLP CN(C(=O)NCc1[nH+]ccn1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329408535 361501894 /nfs/dbraw/zinc/50/18/94/361501894.db2.gz CNYFLWYBIPXQON-FUNVUKJBSA-N 2 2 291.399 1.391 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000133620133 364908959 /nfs/dbraw/zinc/90/89/59/364908959.db2.gz VXYWNWJKZWJCAQ-DVOMOZLQSA-N 2 2 273.380 1.976 20 30 CDEDLP C=C(CC)C[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000358499356 367728287 /nfs/dbraw/zinc/72/82/87/367728287.db2.gz NOIPJJSTNOZPKU-UHFFFAOYSA-N 2 2 267.417 1.439 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCCNC(=O)C1)C(C)C ZINC000638358079 369514482 /nfs/dbraw/zinc/51/44/82/369514482.db2.gz YVVBROABQAWGAA-HZPDHXFCSA-N 2 2 293.455 1.943 20 30 CDEDLP CC(C)[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1[nH]cc[nH+]1 ZINC000578986393 372550777 /nfs/dbraw/zinc/55/07/77/372550777.db2.gz YCTQCCQPMMORIV-WDEREUQCSA-N 2 2 263.345 1.244 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000289730951 378347269 /nfs/dbraw/zinc/34/72/69/378347269.db2.gz GFYWMSWBPPTBBX-NUEKZKHPSA-N 2 2 260.381 1.786 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000289730951 378347278 /nfs/dbraw/zinc/34/72/78/378347278.db2.gz GFYWMSWBPPTBBX-NUEKZKHPSA-N 2 2 260.381 1.786 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000491440641 391129992 /nfs/dbraw/zinc/12/99/92/391129992.db2.gz QDVKEMHWTUEKEL-LSDHHAIUSA-N 2 2 291.439 1.178 20 30 CDEDLP CC#CC[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000339764587 391353631 /nfs/dbraw/zinc/35/36/31/391353631.db2.gz UTNQRAYKYRDQGJ-HNNXBMFYSA-N 2 2 285.391 1.969 20 30 CDEDLP CC#CC[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000339764587 391353635 /nfs/dbraw/zinc/35/36/35/391353635.db2.gz UTNQRAYKYRDQGJ-HNNXBMFYSA-N 2 2 285.391 1.969 20 30 CDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000574031698 391708539 /nfs/dbraw/zinc/70/85/39/391708539.db2.gz OWPKOFDBCQHBHR-CJNGLKHVSA-N 2 2 285.391 1.904 20 30 CDEDLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC1CCOCC1 ZINC000329936315 391802222 /nfs/dbraw/zinc/80/22/22/391802222.db2.gz KZBQDPNFILICIO-GFCCVEGCSA-N 2 2 292.383 1.725 20 30 CDEDLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC1CCOCC1 ZINC000329936315 391802229 /nfs/dbraw/zinc/80/22/29/391802229.db2.gz KZBQDPNFILICIO-GFCCVEGCSA-N 2 2 292.383 1.725 20 30 CDEDLP C=C[C@H](CO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000662165760 414547143 /nfs/dbraw/zinc/54/71/43/414547143.db2.gz ORPQLRKTAUQBDL-KGLIPLIRSA-N 2 2 289.379 1.151 20 30 CDEDLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])N(C)C)[NH+](C)C)cc1 ZINC000287182310 263101253 /nfs/dbraw/zinc/10/12/53/263101253.db2.gz KEKQXWXDDODGKV-OAHLLOKOSA-N 2 2 292.427 1.953 20 30 CDEDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000550840475 289996176 /nfs/dbraw/zinc/99/61/76/289996176.db2.gz OCAZPDRYIYJCNI-NSHDSACASA-N 2 2 272.356 1.031 20 30 CDEDLP CC(C)CCNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905226 327749189 /nfs/dbraw/zinc/74/91/89/327749189.db2.gz DMBKLPJKDKHRHQ-UHFFFAOYSA-N 2 2 263.389 1.834 20 30 CDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC[C@H](C)C1 ZINC000262786393 330031390 /nfs/dbraw/zinc/03/13/90/330031390.db2.gz MQSVBYUKDLCUBZ-LBPRGKRZSA-N 2 2 292.431 1.293 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH+](C2CCC2)C2CCC2)CC1 ZINC000491462340 332215868 /nfs/dbraw/zinc/21/58/68/332215868.db2.gz IIAMXJNXZOWJTC-UHFFFAOYSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491713261 332304211 /nfs/dbraw/zinc/30/42/11/332304211.db2.gz JEPXGOMPKFJSEN-OLZOCXBDSA-N 2 2 289.383 1.143 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491713261 332304212 /nfs/dbraw/zinc/30/42/12/332304212.db2.gz JEPXGOMPKFJSEN-OLZOCXBDSA-N 2 2 289.383 1.143 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001752789387 1160294078 /nfs/dbraw/zinc/29/40/78/1160294078.db2.gz ZGWABKPJUFWXIB-CQSZACIVSA-N 2 2 290.411 1.665 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001752789387 1160294084 /nfs/dbraw/zinc/29/40/84/1160294084.db2.gz ZGWABKPJUFWXIB-CQSZACIVSA-N 2 2 290.411 1.665 20 30 CDEDLP C#CCOc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000113313647 527105058 /nfs/dbraw/zinc/10/50/58/527105058.db2.gz SEGKBRLQKABKNT-UHFFFAOYSA-N 2 2 255.321 1.685 20 30 CDEDLP CC[NH+]1CCC([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330180648 528958421 /nfs/dbraw/zinc/95/84/21/528958421.db2.gz GBSDZHSCWXPGBH-ZDUSSCGKSA-N 2 2 291.399 1.186 20 30 CDEDLP CC[NH+]1CCC(NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330180648 528958429 /nfs/dbraw/zinc/95/84/29/528958429.db2.gz GBSDZHSCWXPGBH-ZDUSSCGKSA-N 2 2 291.399 1.186 20 30 CDEDLP CN(C)c1ccc(C=[NH+]NC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000753936710 576867239 /nfs/dbraw/zinc/86/72/39/576867239.db2.gz UCJKYKFXOCOOCN-HUUCEWRRSA-N 2 2 285.395 1.947 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000951195787 613009689 /nfs/dbraw/zinc/00/96/89/613009689.db2.gz LSPMLVKPDSVHRS-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000951195787 613009690 /nfs/dbraw/zinc/00/96/90/613009690.db2.gz LSPMLVKPDSVHRS-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939622484 613386183 /nfs/dbraw/zinc/38/61/83/613386183.db2.gz LNJKVRWYBYGCTC-TVQRCGJNSA-N 2 2 296.802 1.450 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971810927 613618134 /nfs/dbraw/zinc/61/81/34/613618134.db2.gz LFIHGWMVTUXCJX-UONOGXRCSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971810927 613618135 /nfs/dbraw/zinc/61/81/35/613618135.db2.gz LFIHGWMVTUXCJX-UONOGXRCSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000981805730 613678251 /nfs/dbraw/zinc/67/82/51/613678251.db2.gz DBVXUTXQQFHQRF-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000981805730 613678253 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ZINC001161323599 938888723 /nfs/dbraw/zinc/88/87/23/938888723.db2.gz OVZUEWOBSCTYKD-CQSZACIVSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474322 939609589 /nfs/dbraw/zinc/60/95/89/939609589.db2.gz LWAWNQGCRACXOJ-UHFFFAOYSA-N 2 2 290.411 1.725 20 30 CDEDLP N#CC[C@H]1CCCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001166740797 939634082 /nfs/dbraw/zinc/63/40/82/939634082.db2.gz DQIMZKRZGDRCGT-CQSZACIVSA-N 2 2 285.395 1.621 20 30 CDEDLP C=CCC[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001203545392 939692867 /nfs/dbraw/zinc/69/28/67/939692867.db2.gz UYJCSUPTOWVMJU-UHFFFAOYSA-N 2 2 290.411 1.509 20 30 CDEDLP C[NH+]1CCN(C2C[NH+](CCc3ccc(C#N)cc3)C2)CC1 ZINC001208929099 940407953 /nfs/dbraw/zinc/40/79/53/940407953.db2.gz LMJKRSWNGUKTKI-UHFFFAOYSA-N 2 2 284.407 1.032 20 30 CDEDLP C=CCN(CC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1)C(=O)OCC ZINC001209021143 940425078 /nfs/dbraw/zinc/42/50/78/940425078.db2.gz SDLRWBJQWVAFDO-GDBMZVCRSA-N 2 2 295.427 1.514 20 30 CDEDLP C=CCN(CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1)C(=O)OCC ZINC001209021143 940425079 /nfs/dbraw/zinc/42/50/79/940425079.db2.gz SDLRWBJQWVAFDO-GDBMZVCRSA-N 2 2 295.427 1.514 20 30 CDEDLP C#CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001209263760 940453965 /nfs/dbraw/zinc/45/39/65/940453965.db2.gz PZXJQLOXGWZCKN-IYBDPMFKSA-N 2 2 269.392 1.859 20 30 CDEDLP C#CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001209263760 940453968 /nfs/dbraw/zinc/45/39/68/940453968.db2.gz PZXJQLOXGWZCKN-IYBDPMFKSA-N 2 2 269.392 1.859 20 30 CDEDLP C#CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001209263760 940453971 /nfs/dbraw/zinc/45/39/71/940453971.db2.gz PZXJQLOXGWZCKN-IYBDPMFKSA-N 2 2 269.392 1.859 20 30 CDEDLP C#CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001209263760 940453973 /nfs/dbraw/zinc/45/39/73/940453973.db2.gz PZXJQLOXGWZCKN-IYBDPMFKSA-N 2 2 269.392 1.859 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209626233 940619532 /nfs/dbraw/zinc/61/95/32/940619532.db2.gz PLNPRCVDYGDCLG-DGCLKSJQSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209626233 940619534 /nfs/dbraw/zinc/61/95/34/940619534.db2.gz PLNPRCVDYGDCLG-DGCLKSJQSA-N 2 2 287.835 1.517 20 30 CDEDLP Cc1cc(C#N)c(F)cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219112674 941309759 /nfs/dbraw/zinc/30/97/59/941309759.db2.gz QIAWRXRVSBUPBV-GFCCVEGCSA-N 2 2 287.298 1.237 20 30 CDEDLP N#Cc1ccc(F)cc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222099405 941565173 /nfs/dbraw/zinc/56/51/73/941565173.db2.gz FPJGZZUHILKTEA-UHFFFAOYSA-N 2 2 288.370 1.225 20 30 CDEDLP N#Cc1ccc(F)cc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222099405 941565176 /nfs/dbraw/zinc/56/51/76/941565176.db2.gz FPJGZZUHILKTEA-UHFFFAOYSA-N 2 2 288.370 1.225 20 30 CDEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001229722950 942516973 /nfs/dbraw/zinc/51/69/73/942516973.db2.gz FLIVAWBVDAJEND-CYBMUJFWSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001258724254 945393847 /nfs/dbraw/zinc/39/38/47/945393847.db2.gz RSSMDELOLAMHCI-AGIUHOORSA-N 2 2 283.416 1.877 20 30 CDEDLP CCOC(=O)[C@H](CS)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258897014 945442195 /nfs/dbraw/zinc/44/21/95/945442195.db2.gz BZQGFOFEGOAKDW-STQMWFEESA-N 2 2 290.473 1.948 20 30 CDEDLP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246720568 948417918 /nfs/dbraw/zinc/41/79/18/948417918.db2.gz ISYZSWZXXZXPDX-IXDOHACOSA-N 2 2 294.439 1.812 20 30 CDEDLP C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246720568 948417923 /nfs/dbraw/zinc/41/79/23/948417923.db2.gz ISYZSWZXXZXPDX-IXDOHACOSA-N 2 2 294.439 1.812 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001252552873 951440561 /nfs/dbraw/zinc/44/05/61/951440561.db2.gz NGXKIPBTKVKGMD-CQSZACIVSA-N 2 2 250.386 1.341 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001252552873 951440567 /nfs/dbraw/zinc/44/05/67/951440567.db2.gz NGXKIPBTKVKGMD-CQSZACIVSA-N 2 2 250.386 1.341 20 30 CDEDLP C=C[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001253577902 951965481 /nfs/dbraw/zinc/96/54/81/951965481.db2.gz QWUNPPQYMWQLJF-IKGGRYGDSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001253577902 951965483 /nfs/dbraw/zinc/96/54/83/951965483.db2.gz QWUNPPQYMWQLJF-IKGGRYGDSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001253577902 951965488 /nfs/dbraw/zinc/96/54/88/951965488.db2.gz QWUNPPQYMWQLJF-IKGGRYGDSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001253577902 951965492 /nfs/dbraw/zinc/96/54/92/951965492.db2.gz QWUNPPQYMWQLJF-IKGGRYGDSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001253597299 951985729 /nfs/dbraw/zinc/98/57/29/951985729.db2.gz DBLBYZGIMBZHCU-INIZCTEOSA-N 2 2 290.407 1.796 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001370033306 959965927 /nfs/dbraw/zinc/96/59/27/959965927.db2.gz OKLGZCYBVZGDEA-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001370033306 959965936 /nfs/dbraw/zinc/96/59/36/959965936.db2.gz OKLGZCYBVZGDEA-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001370033306 959965941 /nfs/dbraw/zinc/96/59/41/959965941.db2.gz OKLGZCYBVZGDEA-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001370033306 959965950 /nfs/dbraw/zinc/96/59/50/959965950.db2.gz OKLGZCYBVZGDEA-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001324235005 961249465 /nfs/dbraw/zinc/24/94/65/961249465.db2.gz KGJQDQDUZMXKLJ-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001442309140 964980046 /nfs/dbraw/zinc/98/00/46/964980046.db2.gz PTMUGTWOJNBMHT-SNVBAGLBSA-N 2 2 270.764 1.189 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382121815 977177156 /nfs/dbraw/zinc/17/71/56/977177156.db2.gz PNIVINWHCYYDGO-SNVBAGLBSA-N 2 2 270.764 1.141 20 30 CDEDLP C[C@]1(C[NH3+])CCCN(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001158678650 1163410157 /nfs/dbraw/zinc/41/01/57/1163410157.db2.gz LIHWQTLDJAUAQP-OAHLLOKOSA-N 2 2 269.352 2.000 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132783167 1163477053 /nfs/dbraw/zinc/47/70/53/1163477053.db2.gz ZFTYKJRSVHJAPD-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570823 342637278 /nfs/dbraw/zinc/63/72/78/342637278.db2.gz TVBIGUMZKFHUIU-FZMZJTMJSA-N 2 2 277.343 1.554 20 30 CDEDLP CC[C@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000593461106 342803294 /nfs/dbraw/zinc/80/32/94/342803294.db2.gz HSNGJAYCOGUDQH-HIFRSBDPSA-N 2 2 292.427 1.163 20 30 CDEDLP CC[C@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000593461106 342803295 /nfs/dbraw/zinc/80/32/95/342803295.db2.gz HSNGJAYCOGUDQH-HIFRSBDPSA-N 2 2 292.427 1.163 20 30 CDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC(C)CC1 ZINC000087081813 342226312 /nfs/dbraw/zinc/22/63/12/342226312.db2.gz URNVJTDFAMFOLV-UHFFFAOYSA-N 2 2 292.431 1.293 20 30 CDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595611906 343108830 /nfs/dbraw/zinc/10/88/30/343108830.db2.gz OWXOOQBHQSXOBM-GJZGRUSLSA-N 2 2 292.427 1.165 20 30 CDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595611906 343108833 /nfs/dbraw/zinc/10/88/33/343108833.db2.gz OWXOOQBHQSXOBM-GJZGRUSLSA-N 2 2 292.427 1.165 20 30 CDEDLP C=C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000619703483 349859964 /nfs/dbraw/zinc/85/99/64/349859964.db2.gz LZJXEGPUNMSHNL-HNNXBMFYSA-N 2 2 289.379 1.615 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000602595559 344502356 /nfs/dbraw/zinc/50/23/56/344502356.db2.gz YUPUWCPOVKKFDH-CHWSQXEVSA-N 2 2 253.390 1.625 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCn1cc[nH+]c1 ZINC000602501701 344442815 /nfs/dbraw/zinc/44/28/15/344442815.db2.gz CAOZMWNTORAKMI-ZDUSSCGKSA-N 2 2 262.357 1.572 20 30 CDEDLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602545495 344461949 /nfs/dbraw/zinc/46/19/49/344461949.db2.gz DKHCYJAGCIJPJC-CABCVRRESA-N 2 2 295.427 1.396 20 30 CDEDLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602545495 344461950 /nfs/dbraw/zinc/46/19/50/344461950.db2.gz DKHCYJAGCIJPJC-CABCVRRESA-N 2 2 295.427 1.396 20 30 CDEDLP C[C@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000602871473 344641549 /nfs/dbraw/zinc/64/15/49/344641549.db2.gz RXIBRBPAXXYCGS-UKRRQHHQSA-N 2 2 288.395 1.297 20 30 CDEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000449386656 362680330 /nfs/dbraw/zinc/68/03/30/362680330.db2.gz JARFEXNEEONYAM-QLFBSQMISA-N 2 2 265.401 1.505 20 30 CDEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000449386656 362680331 /nfs/dbraw/zinc/68/03/31/362680331.db2.gz JARFEXNEEONYAM-QLFBSQMISA-N 2 2 265.401 1.505 20 30 CDEDLP CCNC(NC[C@@H](c1ccccc1)[NH+](C)C)=[NH+]CC ZINC000066242507 348977404 /nfs/dbraw/zinc/97/74/04/348977404.db2.gz MMFCKGBXHOJKMS-AWEZNQCLSA-N 2 2 262.401 1.864 20 30 CDEDLP CCCNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264066388 362956413 /nfs/dbraw/zinc/95/64/13/362956413.db2.gz BKJKFQNNPZNAHB-NSHDSACASA-N 2 2 254.403 1.665 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000264073005 362957978 /nfs/dbraw/zinc/95/79/78/362957978.db2.gz DRGSEYXLUUVCHU-AWEZNQCLSA-N 2 2 260.385 1.688 20 30 CDEDLP COCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000264075573 362959096 /nfs/dbraw/zinc/95/90/96/362959096.db2.gz FOJAQERKPFAPJK-NSHDSACASA-N 2 2 296.440 1.045 20 30 CDEDLP COCCNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000264075573 362959098 /nfs/dbraw/zinc/95/90/98/362959098.db2.gz FOJAQERKPFAPJK-NSHDSACASA-N 2 2 296.440 1.045 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000264079657 362960609 /nfs/dbraw/zinc/96/06/09/362960609.db2.gz GUZNOLPMMDTONL-ZDUSSCGKSA-N 2 2 278.400 1.058 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000264079657 362960611 /nfs/dbraw/zinc/96/06/11/362960611.db2.gz GUZNOLPMMDTONL-ZDUSSCGKSA-N 2 2 278.400 1.058 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000264120127 362971879 /nfs/dbraw/zinc/97/18/79/362971879.db2.gz QXOLSVQIIMLEJN-MNOVXSKESA-N 2 2 284.429 1.290 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629569962 363020771 /nfs/dbraw/zinc/02/07/71/363020771.db2.gz ZPDIYLLONFTNQC-AXFHLTTASA-N 2 2 293.333 1.136 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629569962 363020775 /nfs/dbraw/zinc/02/07/75/363020775.db2.gz ZPDIYLLONFTNQC-AXFHLTTASA-N 2 2 293.333 1.136 20 30 CDEDLP C[N@H+](Cc1ccc(F)c(C#N)c1)C1CC[NH+](CCO)CC1 ZINC000344357927 356982854 /nfs/dbraw/zinc/98/28/54/356982854.db2.gz VSVMRJGBKNFDNS-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC[NH+](CCO)CC1 ZINC000344357927 356982856 /nfs/dbraw/zinc/98/28/56/356982856.db2.gz VSVMRJGBKNFDNS-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP C#CCC[NH+]1CCN(Cc2cc(OC)cc(C)[nH+]2)CC1 ZINC000299720772 357109550 /nfs/dbraw/zinc/10/95/50/357109550.db2.gz SHEWUTRYSUBQOL-UHFFFAOYSA-N 2 2 273.380 1.540 20 30 CDEDLP CN(C)C(=[NH+]CCc1cn2c([nH+]1)CCCC2)N(C)C ZINC000262002839 359120865 /nfs/dbraw/zinc/12/08/65/359120865.db2.gz QJQDBVVZEQISLC-UHFFFAOYSA-N 2 2 263.389 1.241 20 30 CDEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC1(C#N)CCC1 ZINC000526135562 363821555 /nfs/dbraw/zinc/82/15/55/363821555.db2.gz JPBNWPYIHMAHCC-AWEZNQCLSA-N 2 2 292.427 1.355 20 30 CDEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC1(C#N)CCC1 ZINC000526135562 363821557 /nfs/dbraw/zinc/82/15/57/363821557.db2.gz JPBNWPYIHMAHCC-AWEZNQCLSA-N 2 2 292.427 1.355 20 30 CDEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC1(C#N)CCC1 ZINC000526135562 363821558 /nfs/dbraw/zinc/82/15/58/363821558.db2.gz JPBNWPYIHMAHCC-AWEZNQCLSA-N 2 2 292.427 1.355 20 30 CDEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC1(C#N)CCC1 ZINC000526135562 363821559 /nfs/dbraw/zinc/82/15/59/363821559.db2.gz JPBNWPYIHMAHCC-AWEZNQCLSA-N 2 2 292.427 1.355 20 30 CDEDLP CC#CC[NH2+]Cc1cn(Cc2[nH+]cc(C)c(OC)c2C)nn1 ZINC000640954669 364778593 /nfs/dbraw/zinc/77/85/93/364778593.db2.gz NBBQASBALICEPI-UHFFFAOYSA-N 2 2 299.378 1.460 20 30 CDEDLP CNC(NC[C@H](c1cccc(OC)c1)[NH+](C)C)=[NH+]C ZINC000264119839 370866902 /nfs/dbraw/zinc/86/69/02/370866902.db2.gz QRHMTELICVHSGJ-CYBMUJFWSA-N 2 2 264.373 1.093 20 30 CDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCSCC#N)CC1 ZINC000580960009 372763569 /nfs/dbraw/zinc/76/35/69/372763569.db2.gz ASVOBGRSJIEYQD-AWEZNQCLSA-N 2 2 297.468 1.818 20 30 CDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCSCC#N)CC1 ZINC000580960009 372763576 /nfs/dbraw/zinc/76/35/76/372763576.db2.gz ASVOBGRSJIEYQD-AWEZNQCLSA-N 2 2 297.468 1.818 20 30 CDEDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(C#N)cc1 ZINC000423530246 374388928 /nfs/dbraw/zinc/38/89/28/374388928.db2.gz YPVOTUKUQMZWGM-JKSUJKDBSA-N 2 2 272.396 1.503 20 30 CDEDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(C#N)c1 ZINC000423517584 374388975 /nfs/dbraw/zinc/38/89/75/374388975.db2.gz OCGZMXDJJNYQQI-IUODEOHRSA-N 2 2 258.369 1.112 20 30 CDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247132457 377059695 /nfs/dbraw/zinc/05/96/95/377059695.db2.gz QOGDUFPCRRCQBL-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247132457 377059702 /nfs/dbraw/zinc/05/97/02/377059702.db2.gz QOGDUFPCRRCQBL-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP CN(C)C(=[NH+]C[C@@H](c1cccc(F)c1)[NH+](C)C)N(C)C ZINC000262322439 391089744 /nfs/dbraw/zinc/08/97/44/391089744.db2.gz QNXLSZPRBSOQAN-AWEZNQCLSA-N 2 2 280.391 1.908 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339066017 391248770 /nfs/dbraw/zinc/24/87/70/391248770.db2.gz AEPXHULYFNCDOJ-HZPDHXFCSA-N 3 2 263.429 1.853 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339066017 391248771 /nfs/dbraw/zinc/24/87/71/391248771.db2.gz AEPXHULYFNCDOJ-HZPDHXFCSA-N 3 2 263.429 1.853 20 30 CDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CCCCC1 ZINC000262446956 391788930 /nfs/dbraw/zinc/78/89/30/391788930.db2.gz VPGFYTXJNJDPTP-UHFFFAOYSA-N 2 2 292.431 1.484 20 30 CDEDLP C[NH+]=C(NC[C@H](c1ccsc1)[NH+](C)C)N[C@@H]1C[C@@H]1C ZINC000262685175 391812484 /nfs/dbraw/zinc/81/24/84/391812484.db2.gz ADLLEVGTORHBAR-CYZMBNFOSA-N 2 2 280.441 1.924 20 30 CDEDLP COCC[N@H+](C)CCCNc1cc(C)[nH+]cc1C#N ZINC000425204194 392992228 /nfs/dbraw/zinc/99/22/28/392992228.db2.gz GUBNXIBDEUAULO-UHFFFAOYSA-N 2 2 262.357 1.064 20 30 CDEDLP COCC[N@@H+](C)CCCNc1cc(C)[nH+]cc1C#N ZINC000425204194 392992232 /nfs/dbraw/zinc/99/22/32/392992232.db2.gz GUBNXIBDEUAULO-UHFFFAOYSA-N 2 2 262.357 1.064 20 30 CDEDLP CC[NH+]1CCN([C@H](C)CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000425209459 392994216 /nfs/dbraw/zinc/99/42/16/392994216.db2.gz RGPFHKTZTWSPPD-CQSZACIVSA-N 2 2 287.411 1.122 20 30 CDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)nn1 ZINC000657317385 414165046 /nfs/dbraw/zinc/16/50/46/414165046.db2.gz ANLJBCYDSUUVSR-UHFFFAOYSA-N 2 2 289.427 1.818 20 30 CDEDLP N#C[C@@H]1CCC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC000333302727 228196384 /nfs/dbraw/zinc/19/63/84/228196384.db2.gz QJPPRSGLTMGERL-ZIAGYGMSSA-N 2 2 285.395 1.985 20 30 CDEDLP C[C@H]1CN(C(=O)CCCC#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000360762755 261100406 /nfs/dbraw/zinc/10/04/06/261100406.db2.gz LLSYIRHASIJTTB-AWEZNQCLSA-N 2 2 292.427 1.307 20 30 CDEDLP C[C@H]1CN(C(=O)CCCC#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000360762755 261100409 /nfs/dbraw/zinc/10/04/09/261100409.db2.gz LLSYIRHASIJTTB-AWEZNQCLSA-N 2 2 292.427 1.307 20 30 CDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000162895885 261297751 /nfs/dbraw/zinc/29/77/51/261297751.db2.gz GJIJCZYXOJUUJT-OAHLLOKOSA-N 3 2 289.427 1.321 20 30 CDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000162895885 261297753 /nfs/dbraw/zinc/29/77/53/261297753.db2.gz GJIJCZYXOJUUJT-OAHLLOKOSA-N 3 2 289.427 1.321 20 30 CDEDLP COc1ccc([C@@H](CNC(=[NH2+])N(C)C)[NH+](C)C)cc1OC ZINC000170906182 261447696 /nfs/dbraw/zinc/44/76/96/261447696.db2.gz ZSGQGTRVZSFGAU-GFCCVEGCSA-N 2 2 294.399 1.183 20 30 CDEDLP CC[C@@H](C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000194688172 262241401 /nfs/dbraw/zinc/24/14/01/262241401.db2.gz FDRIEEYQDQAUEH-LLVKDONJSA-N 2 2 272.356 1.470 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC2OCCO2)cc1 ZINC000274315898 263022994 /nfs/dbraw/zinc/02/29/94/263022994.db2.gz HFAWWYOZFCDDJA-UHFFFAOYSA-N 2 2 293.367 1.148 20 30 CDEDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(CC#N)CC1 ZINC000276499882 263037072 /nfs/dbraw/zinc/03/70/72/263037072.db2.gz XKSGJOMRZDALSQ-UHFFFAOYSA-N 2 2 258.369 1.464 20 30 CDEDLP C=CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1OC ZINC000415097527 263273290 /nfs/dbraw/zinc/27/32/90/263273290.db2.gz SSTAQSZITHPVSI-CQSZACIVSA-N 2 2 292.379 1.338 20 30 CDEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000331208762 264161882 /nfs/dbraw/zinc/16/18/82/264161882.db2.gz ZXWRQNVXQNAVBI-CABCVRRESA-N 2 2 292.427 1.165 20 30 CDEDLP C=CC[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369437354 267243418 /nfs/dbraw/zinc/24/34/18/267243418.db2.gz WXWUHLWMYNXCNW-ZIAGYGMSSA-N 2 2 294.443 1.419 20 30 CDEDLP C=CC[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369437354 267243419 /nfs/dbraw/zinc/24/34/19/267243419.db2.gz WXWUHLWMYNXCNW-ZIAGYGMSSA-N 2 2 294.443 1.419 20 30 CDEDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CCC[NH2+]1 ZINC000423414412 277256690 /nfs/dbraw/zinc/25/66/90/277256690.db2.gz MUORIESDNRRGCW-CJNGLKHVSA-N 2 2 273.380 1.977 20 30 CDEDLP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000555251530 290211081 /nfs/dbraw/zinc/21/10/81/290211081.db2.gz LDFDTMCVGDPODQ-UHFFFAOYSA-N 2 2 273.380 1.495 20 30 CDEDLP C[NH+]1CCC(CCO)([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000570412161 294235633 /nfs/dbraw/zinc/23/56/33/294235633.db2.gz YNAUFCFLZGVDIN-UHFFFAOYSA-N 2 2 279.409 1.556 20 30 CDEDLP N#Cc1ccncc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000575813624 317019848 /nfs/dbraw/zinc/01/98/48/317019848.db2.gz YJXDJMKLVAEETJ-UHFFFAOYSA-N 2 2 296.378 1.362 20 30 CDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H](C)C(C)C ZINC000262763229 328151869 /nfs/dbraw/zinc/15/18/69/328151869.db2.gz GLUROTPNJGOVPF-NSHDSACASA-N 2 2 280.420 1.196 20 30 CDEDLP C#CC[NH+]1CCC(c2nc([C@H]([NH3+])CC(C)C)no2)CC1 ZINC000491543068 332233526 /nfs/dbraw/zinc/23/35/26/332233526.db2.gz FCMDRLOLNAXVDH-CYBMUJFWSA-N 2 2 276.384 1.928 20 30 CDEDLP C#CC[N@H+](C)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000491715728 332305889 /nfs/dbraw/zinc/30/58/89/332305889.db2.gz QQUNVGKMWWRFMO-UHFFFAOYSA-N 2 2 298.346 1.932 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000491715728 332305890 /nfs/dbraw/zinc/30/58/90/332305890.db2.gz QQUNVGKMWWRFMO-UHFFFAOYSA-N 2 2 298.346 1.932 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000577181794 335318079 /nfs/dbraw/zinc/31/80/79/335318079.db2.gz RSBHCISEFVQQIV-ZDUSSCGKSA-N 2 2 253.390 1.457 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000577181794 335318080 /nfs/dbraw/zinc/31/80/80/335318080.db2.gz RSBHCISEFVQQIV-ZDUSSCGKSA-N 2 2 253.390 1.457 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243597 527607569 /nfs/dbraw/zinc/60/75/69/527607569.db2.gz LGDPGUFPBSCPDX-UHFFFAOYSA-N 2 2 288.395 1.721 20 30 CDEDLP CC(C)[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330274074 529028818 /nfs/dbraw/zinc/02/88/18/529028818.db2.gz JOBVUKJFEPQFAM-ZDUSSCGKSA-N 2 2 291.399 1.138 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000771830172 575622145 /nfs/dbraw/zinc/62/21/45/575622145.db2.gz AZZOUCRDQQHJKN-UHFFFAOYSA-N 2 2 282.347 1.115 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC ZINC000968893486 613199970 /nfs/dbraw/zinc/19/99/70/613199970.db2.gz LKYTWQKKQZSFCW-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC ZINC000968893486 613199972 /nfs/dbraw/zinc/19/99/72/613199972.db2.gz LKYTWQKKQZSFCW-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC ZINC000968893486 613199974 /nfs/dbraw/zinc/19/99/74/613199974.db2.gz LKYTWQKKQZSFCW-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC ZINC000968893486 613199976 /nfs/dbraw/zinc/19/99/76/613199976.db2.gz LKYTWQKKQZSFCW-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183147 613234306 /nfs/dbraw/zinc/23/43/06/613234306.db2.gz GJOHJMFVKXNZIU-TZMCWYRMSA-N 2 2 296.374 1.636 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183147 613234308 /nfs/dbraw/zinc/23/43/08/613234308.db2.gz GJOHJMFVKXNZIU-TZMCWYRMSA-N 2 2 296.374 1.636 20 30 CDEDLP C=C(C)CC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957331087 613258720 /nfs/dbraw/zinc/25/87/20/613258720.db2.gz WYQKMMUOALKVIR-UHFFFAOYSA-N 2 2 276.384 1.073 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000972518427 613285004 /nfs/dbraw/zinc/28/50/04/613285004.db2.gz UWZVJJAUZCWDAV-UKRRQHHQSA-N 2 2 290.411 1.697 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000972518427 613285006 /nfs/dbraw/zinc/28/50/06/613285006.db2.gz UWZVJJAUZCWDAV-UKRRQHHQSA-N 2 2 290.411 1.697 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000972518427 613285008 /nfs/dbraw/zinc/28/50/08/613285008.db2.gz UWZVJJAUZCWDAV-UKRRQHHQSA-N 2 2 290.411 1.697 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000972518427 613285010 /nfs/dbraw/zinc/28/50/10/613285010.db2.gz UWZVJJAUZCWDAV-UKRRQHHQSA-N 2 2 290.411 1.697 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595806 613574281 /nfs/dbraw/zinc/57/42/81/613574281.db2.gz DSOASKOHYIYRHY-IUODEOHRSA-N 2 2 288.395 1.111 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595806 613574282 /nfs/dbraw/zinc/57/42/82/613574282.db2.gz DSOASKOHYIYRHY-IUODEOHRSA-N 2 2 288.395 1.111 20 30 CDEDLP CN(C)c1cc[nH+]c(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1 ZINC000905520017 626850530 /nfs/dbraw/zinc/85/05/30/626850530.db2.gz YHKMDFKNWDBXQW-AWEZNQCLSA-N 2 2 276.384 1.538 20 30 CDEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@@](F)(C[NH3+])C3)c2c1 ZINC001157812527 1162443626 /nfs/dbraw/zinc/44/36/26/1162443626.db2.gz BTIIOYURYIPZPA-OAHLLOKOSA-N 2 2 270.311 1.984 20 30 CDEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891765 1162501975 /nfs/dbraw/zinc/50/19/75/1162501975.db2.gz UGTLPPTXFVGHIE-ZIAGYGMSSA-N 2 2 290.411 1.965 20 30 CDEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891765 1162501978 /nfs/dbraw/zinc/50/19/78/1162501978.db2.gz UGTLPPTXFVGHIE-ZIAGYGMSSA-N 2 2 290.411 1.965 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC000989225017 1160671775 /nfs/dbraw/zinc/67/17/75/1160671775.db2.gz YUSYFTSHLJMINS-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001252620000 1164714690 /nfs/dbraw/zinc/71/46/90/1164714690.db2.gz PXBKZLLNSANCLG-ZFWWWQNUSA-N 2 2 268.401 1.156 20 30 CDEDLP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001252620000 1164714694 /nfs/dbraw/zinc/71/46/94/1164714694.db2.gz PXBKZLLNSANCLG-ZFWWWQNUSA-N 2 2 268.401 1.156 20 30 CDEDLP Cc1cnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c(C#N)c1 ZINC001155373770 1167144960 /nfs/dbraw/zinc/14/49/60/1167144960.db2.gz UUPCFJYZFKKXRR-OAHLLOKOSA-N 2 2 285.395 1.121 20 30 CDEDLP C=CCC[NH+]1CC(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001753405120 1184531137 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C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033437376 739246709 /nfs/dbraw/zinc/24/67/09/739246709.db2.gz GQOBXLANXBHOMB-MGPQQGTHSA-N 2 2 288.395 1.242 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033437376 739246715 /nfs/dbraw/zinc/24/67/15/739246715.db2.gz GQOBXLANXBHOMB-MGPQQGTHSA-N 2 2 288.395 1.242 20 30 CDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034272846 739371113 /nfs/dbraw/zinc/37/11/13/739371113.db2.gz XHGOOEDCXCFCRL-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034272846 739371116 /nfs/dbraw/zinc/37/11/16/739371116.db2.gz XHGOOEDCXCFCRL-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034272846 739371121 /nfs/dbraw/zinc/37/11/21/739371121.db2.gz XHGOOEDCXCFCRL-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034272846 739371125 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C#CC[N@@H+](C)CCC[NH2+]Cc1cccnc1Cl ZINC000883131905 741562874 /nfs/dbraw/zinc/56/28/74/741562874.db2.gz YIJWSEBFWMIWIT-UHFFFAOYSA-N 2 2 251.761 1.780 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208269 741683513 /nfs/dbraw/zinc/68/35/13/741683513.db2.gz NQORCYNDENQTHI-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208269 741683530 /nfs/dbraw/zinc/68/35/30/741683530.db2.gz NQORCYNDENQTHI-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009717749 742094203 /nfs/dbraw/zinc/09/42/03/742094203.db2.gz PJNPNDUDYOAEEG-AWEZNQCLSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009717749 742094210 /nfs/dbraw/zinc/09/42/10/742094210.db2.gz PJNPNDUDYOAEEG-AWEZNQCLSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009200947 742317052 /nfs/dbraw/zinc/31/70/52/742317052.db2.gz IVRYIVJUPWYCDS-KBPBESRZSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009200947 742317057 /nfs/dbraw/zinc/31/70/57/742317057.db2.gz IVRYIVJUPWYCDS-KBPBESRZSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009200947 742317061 /nfs/dbraw/zinc/31/70/61/742317061.db2.gz IVRYIVJUPWYCDS-KBPBESRZSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009200947 742317065 /nfs/dbraw/zinc/31/70/65/742317065.db2.gz IVRYIVJUPWYCDS-KBPBESRZSA-N 2 2 299.846 1.661 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001020286693 742526817 /nfs/dbraw/zinc/52/68/17/742526817.db2.gz JOVMRCNPHAVMAP-JOCQHMNTSA-N 2 2 275.352 1.056 20 30 CDEDLP C=CC[C@]1(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CCC[NH2+]1 ZINC000877247471 742642892 /nfs/dbraw/zinc/64/28/92/742642892.db2.gz LSRSBBHXUVYORV-FUHWJXTLSA-N 2 2 299.418 1.988 20 30 CDEDLP C=CC[C@]1(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CCC[NH2+]1 ZINC000877247471 742642893 /nfs/dbraw/zinc/64/28/93/742642893.db2.gz LSRSBBHXUVYORV-FUHWJXTLSA-N 2 2 299.418 1.988 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000989039337 742809280 /nfs/dbraw/zinc/80/92/80/742809280.db2.gz HIHSTYOLRSLXHD-DGCLKSJQSA-N 2 2 284.363 1.942 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015688590 742837707 /nfs/dbraw/zinc/83/77/07/742837707.db2.gz CAQCQGSOUCVXQH-NEPJUHHUSA-N 2 2 274.368 1.206 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015688590 742837708 /nfs/dbraw/zinc/83/77/08/742837708.db2.gz CAQCQGSOUCVXQH-NEPJUHHUSA-N 2 2 274.368 1.206 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127292705 913589889 /nfs/dbraw/zinc/58/98/89/913589889.db2.gz KLXYKHHGBHLLLU-UHFFFAOYSA-N 2 2 272.352 1.538 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001481016931 898500915 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C=CC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088405114 907116040 /nfs/dbraw/zinc/11/60/40/907116040.db2.gz OSOLIILULUSWCM-ZDUSSCGKSA-N 2 2 276.384 1.499 20 30 CDEDLP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001088657435 908747630 /nfs/dbraw/zinc/74/76/30/908747630.db2.gz FGIBLKQAHMPSTD-KGLIPLIRSA-N 2 2 288.395 1.139 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001088657435 908747635 /nfs/dbraw/zinc/74/76/35/908747635.db2.gz FGIBLKQAHMPSTD-KGLIPLIRSA-N 2 2 288.395 1.139 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663518 908754971 /nfs/dbraw/zinc/75/49/71/908754971.db2.gz GQQGZZLHMWHEAM-OCCSQVGLSA-N 2 2 296.374 1.779 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663518 908754978 /nfs/dbraw/zinc/75/49/78/908754978.db2.gz GQQGZZLHMWHEAM-OCCSQVGLSA-N 2 2 296.374 1.779 20 30 CDEDLP C[C@@H](Cc1ccc(C#N)cc1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001172303266 911546492 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CDEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134548917 929784001 /nfs/dbraw/zinc/78/40/01/929784001.db2.gz KMIQLEYLWVPKTM-STQMWFEESA-N 2 2 278.400 1.791 20 30 CDEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134548917 929784008 /nfs/dbraw/zinc/78/40/08/929784008.db2.gz KMIQLEYLWVPKTM-STQMWFEESA-N 2 2 278.400 1.791 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152603695 937376273 /nfs/dbraw/zinc/37/62/73/937376273.db2.gz PPTDYOCJOCWQFL-ZDUSSCGKSA-N 2 2 296.802 1.143 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152617960 937377066 /nfs/dbraw/zinc/37/70/66/937377066.db2.gz GZXIOJAMMRCJLI-HNNXBMFYSA-N 2 2 290.411 1.356 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135313617 930149434 /nfs/dbraw/zinc/14/94/34/930149434.db2.gz TXWKEAJGMPDOJR-UHFFFAOYSA-N 2 2 286.379 1.467 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031473 930611673 /nfs/dbraw/zinc/61/16/73/930611673.db2.gz LPDXVSRHDMRHNP-WDEREUQCSA-N 2 2 264.373 1.320 20 30 CDEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001095624555 932731962 /nfs/dbraw/zinc/73/19/62/932731962.db2.gz HCUDMBIAKROGHP-QPSCCSFWSA-N 2 2 277.412 1.378 20 30 CDEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001095624555 932731966 /nfs/dbraw/zinc/73/19/66/932731966.db2.gz HCUDMBIAKROGHP-QPSCCSFWSA-N 2 2 277.412 1.378 20 30 CDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001095624555 932731974 /nfs/dbraw/zinc/73/19/74/932731974.db2.gz HCUDMBIAKROGHP-QPSCCSFWSA-N 2 2 277.412 1.378 20 30 CDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001095624555 932731978 /nfs/dbraw/zinc/73/19/78/932731978.db2.gz HCUDMBIAKROGHP-QPSCCSFWSA-N 2 2 277.412 1.378 20 30 CDEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001148906057 932803659 /nfs/dbraw/zinc/80/36/59/932803659.db2.gz XORRVCWDPUATDJ-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001148906057 932803662 /nfs/dbraw/zinc/80/36/62/932803662.db2.gz XORRVCWDPUATDJ-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001121908576 937889188 /nfs/dbraw/zinc/88/91/88/937889188.db2.gz ADBNGZWZOFILTO-NWDGAFQWSA-N 2 2 250.346 1.071 20 30 CDEDLP C[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)[C@@H]1C[NH2+]CCO1 ZINC001159498477 938734632 /nfs/dbraw/zinc/73/46/32/938734632.db2.gz QVUJAUQYQVOPEZ-NHYWBVRUSA-N 2 2 282.347 1.895 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@@]2(C(C)C)CCC[NH2+]C2)CC1 ZINC001160432472 938787088 /nfs/dbraw/zinc/78/70/88/938787088.db2.gz XBIATTKZLAVHEA-INIZCTEOSA-N 2 2 279.428 1.342 20 30 CDEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161554298 938911474 /nfs/dbraw/zinc/91/14/74/938911474.db2.gz MWZFVOZGOSZLQZ-UHFFFAOYSA-N 2 2 288.395 1.667 20 30 CDEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161554298 938911475 /nfs/dbraw/zinc/91/14/75/938911475.db2.gz MWZFVOZGOSZLQZ-UHFFFAOYSA-N 2 2 288.395 1.667 20 30 CDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989416 938950594 /nfs/dbraw/zinc/95/05/94/938950594.db2.gz CISGVQDLXKRWSG-UHFFFAOYSA-N 2 2 286.379 1.045 20 30 CDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989416 938950595 /nfs/dbraw/zinc/95/05/95/938950595.db2.gz CISGVQDLXKRWSG-UHFFFAOYSA-N 2 2 286.379 1.045 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427751 939052801 /nfs/dbraw/zinc/05/28/01/939052801.db2.gz OUTFLCDZZXKZJL-UHFFFAOYSA-N 2 2 292.770 1.796 20 30 CDEDLP C[NH+](C)C[C@]12C[C@H]1CN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001165185439 939521743 /nfs/dbraw/zinc/52/17/43/939521743.db2.gz SIELPYZZXGJYMH-LRDDRELGSA-N 2 2 281.363 1.822 20 30 CDEDLP COc1cc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)ncc1C#N ZINC001165352448 939550222 /nfs/dbraw/zinc/55/02/22/939550222.db2.gz UYLKQVXYDGMUBS-UHFFFAOYSA-N 2 2 283.335 1.144 20 30 CDEDLP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C[C@H](C)[NH3+])CC2 ZINC001204847947 939798753 /nfs/dbraw/zinc/79/87/53/939798753.db2.gz IHLCXNLMWKGCIZ-AWEZNQCLSA-N 2 2 295.427 1.834 20 30 CDEDLP Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(C#N)c1 ZINC001205690898 939921731 /nfs/dbraw/zinc/92/17/31/939921731.db2.gz YRMMBHIEUAPJBK-MRXNPFEDSA-N 2 2 273.380 1.542 20 30 CDEDLP Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(C#N)c1 ZINC001205690898 939921734 /nfs/dbraw/zinc/92/17/34/939921734.db2.gz YRMMBHIEUAPJBK-MRXNPFEDSA-N 2 2 273.380 1.542 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210845931 940716869 /nfs/dbraw/zinc/71/68/69/940716869.db2.gz DBKVOOPSBKQGNF-CQSZACIVSA-N 2 2 290.411 1.807 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222088765 941563014 /nfs/dbraw/zinc/56/30/14/941563014.db2.gz XJBSSVBPEKLDDA-OAHLLOKOSA-N 2 2 290.411 1.820 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226673073 942045463 /nfs/dbraw/zinc/04/54/63/942045463.db2.gz YJJLBSKNQSGRLQ-ZIAGYGMSSA-N 2 2 276.384 1.545 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226673073 942045468 /nfs/dbraw/zinc/04/54/68/942045468.db2.gz YJJLBSKNQSGRLQ-ZIAGYGMSSA-N 2 2 276.384 1.545 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])c2c1 ZINC001235993157 944359377 /nfs/dbraw/zinc/35/93/77/944359377.db2.gz FSEBJQOUDFOLEP-VMZNBEPHSA-N 2 2 296.374 1.445 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])c2c1 ZINC001235993157 944359385 /nfs/dbraw/zinc/35/93/85/944359385.db2.gz FSEBJQOUDFOLEP-VMZNBEPHSA-N 2 2 296.374 1.445 20 30 CDEDLP N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414579 944764282 /nfs/dbraw/zinc/76/42/82/944764282.db2.gz LPZNAOYVCLHXAJ-DZGCQCFKSA-N 2 2 271.364 1.838 20 30 CDEDLP N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414579 944764283 /nfs/dbraw/zinc/76/42/83/944764283.db2.gz LPZNAOYVCLHXAJ-DZGCQCFKSA-N 2 2 271.364 1.838 20 30 CDEDLP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])C1 ZINC001254650192 947572761 /nfs/dbraw/zinc/57/27/61/947572761.db2.gz UAZXIWVQUWDJQO-YVSFHVDLSA-N 2 2 284.407 1.480 20 30 CDEDLP N#CC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCCCC1 ZINC001246191353 948020985 /nfs/dbraw/zinc/02/09/85/948020985.db2.gz QNPQLKPDNRBXLW-ZDUSSCGKSA-N 2 2 262.401 1.287 20 30 CDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001494287826 972206636 /nfs/dbraw/zinc/20/66/36/972206636.db2.gz GRUFNUIWUQMFGW-LSDHHAIUSA-N 2 2 288.395 1.438 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001494287826 972206640 /nfs/dbraw/zinc/20/66/40/972206640.db2.gz GRUFNUIWUQMFGW-LSDHHAIUSA-N 2 2 288.395 1.438 20 30 CDEDLP C#CCOCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001341257015 963340300 /nfs/dbraw/zinc/34/03/00/963340300.db2.gz JESWYPBLIJHXHZ-UHFFFAOYSA-N 2 2 269.348 1.954 20 30 CDEDLP C#CCOCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001341257015 963340311 /nfs/dbraw/zinc/34/03/11/963340311.db2.gz JESWYPBLIJHXHZ-UHFFFAOYSA-N 2 2 269.348 1.954 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001438528636 963478072 /nfs/dbraw/zinc/47/80/72/963478072.db2.gz OFXCQWHQIFULKY-WDEREUQCSA-N 2 2 298.818 1.683 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001438528636 963478074 /nfs/dbraw/zinc/47/80/74/963478074.db2.gz OFXCQWHQIFULKY-WDEREUQCSA-N 2 2 298.818 1.683 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@@H]2CCOC2)cc1 ZINC001348574523 966068666 /nfs/dbraw/zinc/06/86/66/966068666.db2.gz RPEWQVOEBVSURW-AWEZNQCLSA-N 2 2 291.395 1.812 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001496614390 972989775 /nfs/dbraw/zinc/98/97/75/972989775.db2.gz CCSWYEZHWDBHBT-LLVKDONJSA-N 2 2 284.791 1.435 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001372675097 973073178 /nfs/dbraw/zinc/07/31/78/973073178.db2.gz XQRDGXMZXDTIEU-GFCCVEGCSA-N 2 2 296.802 1.153 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001372675097 973073189 /nfs/dbraw/zinc/07/31/89/973073189.db2.gz XQRDGXMZXDTIEU-GFCCVEGCSA-N 2 2 296.802 1.153 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001374796366 974125530 /nfs/dbraw/zinc/12/55/30/974125530.db2.gz ROYLRZVTXMVTNJ-LLVKDONJSA-N 2 2 270.764 1.120 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001389879215 976030528 /nfs/dbraw/zinc/03/05/28/976030528.db2.gz BWSVACNLLNEDNR-YUSALJHKSA-N 2 2 296.802 1.578 20 30 CDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132783165 1163477840 /nfs/dbraw/zinc/47/78/40/1163477840.db2.gz ZFTYKJRSVHJAPD-KBPBESRZSA-N 2 2 288.395 1.050 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133197079 1163604533 /nfs/dbraw/zinc/60/45/33/1163604533.db2.gz YISJSJGOMDHNFC-UONOGXRCSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133354051 1163650603 /nfs/dbraw/zinc/65/06/03/1163650603.db2.gz MAASLBNUPFMEMW-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000590167141 342523870 /nfs/dbraw/zinc/52/38/70/342523870.db2.gz YUYOFKPSSAIYEZ-SNPRPXQTSA-N 2 2 290.411 1.093 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000590167141 342523871 /nfs/dbraw/zinc/52/38/71/342523871.db2.gz YUYOFKPSSAIYEZ-SNPRPXQTSA-N 2 2 290.411 1.093 20 30 CDEDLP C=CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000439000128 361788689 /nfs/dbraw/zinc/78/86/89/361788689.db2.gz WDJJLTAXGQLEIS-LSDHHAIUSA-N 2 2 251.418 1.567 20 30 CDEDLP C=CCC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000439000128 361788692 /nfs/dbraw/zinc/78/86/92/361788692.db2.gz WDJJLTAXGQLEIS-LSDHHAIUSA-N 2 2 251.418 1.567 20 30 CDEDLP N#CC[C@]1(O)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000592150468 342668571 /nfs/dbraw/zinc/66/85/71/342668571.db2.gz DAMOGIZOTMGMHS-AWEZNQCLSA-N 2 2 251.374 1.213 20 30 CDEDLP N#CC[C@]1(O)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000592150468 342668572 /nfs/dbraw/zinc/66/85/72/342668572.db2.gz DAMOGIZOTMGMHS-AWEZNQCLSA-N 2 2 251.374 1.213 20 30 CDEDLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391836 346776096 /nfs/dbraw/zinc/77/60/96/346776096.db2.gz AOTZGXQAQFZNIO-ZBFHGGJFSA-N 2 2 273.380 1.448 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000066485038 348987143 /nfs/dbraw/zinc/98/71/43/348987143.db2.gz ABFHMFMEOULLSC-UHFFFAOYSA-N 2 2 288.395 1.125 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)nn1 ZINC000623657400 349321704 /nfs/dbraw/zinc/32/17/04/349321704.db2.gz PVWACIOIFMLVRU-AWEZNQCLSA-N 2 2 277.416 1.676 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)nn1 ZINC000623657400 349321706 /nfs/dbraw/zinc/32/17/06/349321706.db2.gz PVWACIOIFMLVRU-AWEZNQCLSA-N 2 2 277.416 1.676 20 30 CDEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC000602639450 350134272 /nfs/dbraw/zinc/13/42/72/350134272.db2.gz SBDMMHQCLMPKNU-HNNXBMFYSA-N 2 2 258.369 1.869 20 30 CDEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000602639450 350134275 /nfs/dbraw/zinc/13/42/75/350134275.db2.gz SBDMMHQCLMPKNU-HNNXBMFYSA-N 2 2 258.369 1.869 20 30 CDEDLP CCNC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264093657 362966026 /nfs/dbraw/zinc/96/60/26/362966026.db2.gz LWVXBBQBIGVKJY-AWEZNQCLSA-N 2 2 289.427 1.121 20 30 CDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264116526 362971082 /nfs/dbraw/zinc/97/10/82/362971082.db2.gz SUZWWMLHTZCJCZ-UHFFFAOYSA-N 2 2 280.372 1.000 20 30 CDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264116526 362971085 /nfs/dbraw/zinc/97/10/85/362971085.db2.gz SUZWWMLHTZCJCZ-UHFFFAOYSA-N 2 2 280.372 1.000 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264117760 362971848 /nfs/dbraw/zinc/97/18/48/362971848.db2.gz TWYVGRFCAZIBRC-JQWIXIFHSA-N 2 2 284.429 1.290 20 30 CDEDLP C=CCn1c(C)cc(C(=O)C[N@H+](C)CCOCC[NH3+])c1C ZINC000629577938 363037753 /nfs/dbraw/zinc/03/77/53/363037753.db2.gz LPLGGKKABIIJGU-UHFFFAOYSA-N 2 2 293.411 1.381 20 30 CDEDLP C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCOCC[NH3+])c1C ZINC000629577938 363037754 /nfs/dbraw/zinc/03/77/54/363037754.db2.gz LPLGGKKABIIJGU-UHFFFAOYSA-N 2 2 293.411 1.381 20 30 CDEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cn2)CC1 ZINC000563893551 316392984 /nfs/dbraw/zinc/39/29/84/316392984.db2.gz BIXFTSQKUURPMY-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cn2)CC1 ZINC000563893551 316392987 /nfs/dbraw/zinc/39/29/87/316392987.db2.gz BIXFTSQKUURPMY-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369996 363987618 /nfs/dbraw/zinc/98/76/18/363987618.db2.gz FETCFFKJVAHJGH-DOMZBBRYSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369996 363987624 /nfs/dbraw/zinc/98/76/24/363987624.db2.gz FETCFFKJVAHJGH-DOMZBBRYSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369996 363987627 /nfs/dbraw/zinc/98/76/27/363987627.db2.gz FETCFFKJVAHJGH-DOMZBBRYSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369996 363987631 /nfs/dbraw/zinc/98/76/31/363987631.db2.gz FETCFFKJVAHJGH-DOMZBBRYSA-N 2 2 298.394 1.373 20 30 CDEDLP CC#CC[NH2+]Cc1cn(C[C@H]2CCCC[N@@H+]2C(C)C)nn1 ZINC000641168378 365147540 /nfs/dbraw/zinc/14/75/40/365147540.db2.gz CXCPGHYHVBXPTQ-MRXNPFEDSA-N 2 2 289.427 1.654 20 30 CDEDLP CC#CC[NH2+]Cc1cn(C[C@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641168378 365147544 /nfs/dbraw/zinc/14/75/44/365147544.db2.gz CXCPGHYHVBXPTQ-MRXNPFEDSA-N 2 2 289.427 1.654 20 30 CDEDLP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1C#N ZINC000276984125 374764670 /nfs/dbraw/zinc/76/46/70/374764670.db2.gz UFWSRZJDSRSHBW-LSDHHAIUSA-N 2 2 258.369 1.613 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152399467 390650983 /nfs/dbraw/zinc/65/09/83/390650983.db2.gz XKLYEBOIQRPNHQ-UONOGXRCSA-N 2 2 280.416 1.021 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152399467 390650984 /nfs/dbraw/zinc/65/09/84/390650984.db2.gz XKLYEBOIQRPNHQ-UONOGXRCSA-N 2 2 280.416 1.021 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152399467 390650988 /nfs/dbraw/zinc/65/09/88/390650988.db2.gz XKLYEBOIQRPNHQ-UONOGXRCSA-N 2 2 280.416 1.021 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152399467 390650992 /nfs/dbraw/zinc/65/09/92/390650992.db2.gz XKLYEBOIQRPNHQ-UONOGXRCSA-N 2 2 280.416 1.021 20 30 CDEDLP Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C#N)c[nH+]1 ZINC000520399487 392854306 /nfs/dbraw/zinc/85/43/06/392854306.db2.gz IFBFTLLMARYTAU-YPMHNXCESA-N 2 2 256.353 1.721 20 30 CDEDLP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C#N)c[nH+]1 ZINC000520399487 392854311 /nfs/dbraw/zinc/85/43/11/392854311.db2.gz IFBFTLLMARYTAU-YPMHNXCESA-N 2 2 256.353 1.721 20 30 CDEDLP C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159955672 261200305 /nfs/dbraw/zinc/20/03/05/261200305.db2.gz MXEAOLPULQQWMT-FQUUOJAGSA-N 2 2 275.400 1.750 20 30 CDEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000284554985 263087397 /nfs/dbraw/zinc/08/73/97/263087397.db2.gz WBLGXGZIPAWWIH-LLVKDONJSA-N 2 2 252.318 1.049 20 30 CDEDLP C=CCCn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nn1 ZINC000653566577 424289565 /nfs/dbraw/zinc/28/95/65/424289565.db2.gz ZIXBVKIELPIGCX-UHFFFAOYSA-N 2 2 286.383 1.957 20 30 CDEDLP N#Cc1cccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000578878434 324046041 /nfs/dbraw/zinc/04/60/41/324046041.db2.gz VKYSWNOPISPUMM-IRXDYDNUSA-N 2 2 285.391 1.457 20 30 CDEDLP N#CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000572512506 329904543 /nfs/dbraw/zinc/90/45/43/329904543.db2.gz WHXCPBWESTZJFM-KBPBESRZSA-N 2 2 251.374 1.258 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422857959 330157755 /nfs/dbraw/zinc/15/77/55/330157755.db2.gz HUWMJQXIQMDZGK-HIFRSBDPSA-N 3 2 251.418 1.615 20 30 CDEDLP Cc1cccn2cc(CNC(=O)[C@@H]([NH3+])CCCC#N)[nH+]c12 ZINC000424150895 330296961 /nfs/dbraw/zinc/29/69/61/330296961.db2.gz ZURDZICAWWKXAS-ZDUSSCGKSA-N 2 2 285.351 1.280 20 30 CDEDLP C#CCn1ccc(C[N@H+](CC)CCn2cc[nH+]c2C)n1 ZINC000491327866 332191376 /nfs/dbraw/zinc/19/13/76/332191376.db2.gz YNBUMIWNZARYHQ-UHFFFAOYSA-N 2 2 271.368 1.543 20 30 CDEDLP C#CCn1ccc(C[N@@H+](CC)CCn2cc[nH+]c2C)n1 ZINC000491327866 332191377 /nfs/dbraw/zinc/19/13/77/332191377.db2.gz YNBUMIWNZARYHQ-UHFFFAOYSA-N 2 2 271.368 1.543 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000491485639 332220354 /nfs/dbraw/zinc/22/03/54/332220354.db2.gz PUFSKRLUVKXIBF-OAHLLOKOSA-N 2 2 287.407 1.236 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000491485639 332220355 /nfs/dbraw/zinc/22/03/55/332220355.db2.gz PUFSKRLUVKXIBF-OAHLLOKOSA-N 2 2 287.407 1.236 20 30 CDEDLP C#CC[NH+](CC1(C[N@@H+](CC#C)C2CC2)COC1)C1CC1 ZINC000491760742 332331753 /nfs/dbraw/zinc/33/17/53/332331753.db2.gz SLGVMXQRXLXOIA-UHFFFAOYSA-N 2 2 272.392 1.198 20 30 CDEDLP C#CC[NH+](CC1(C[N@H+](CC#C)C2CC2)COC1)C1CC1 ZINC000491760742 332331755 /nfs/dbraw/zinc/33/17/55/332331755.db2.gz SLGVMXQRXLXOIA-UHFFFAOYSA-N 2 2 272.392 1.198 20 30 CDEDLP N#CCC[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000567680664 334751482 /nfs/dbraw/zinc/75/14/82/334751482.db2.gz BIBUOSGLVUAAEO-UHFFFAOYSA-N 2 2 289.379 1.401 20 30 CDEDLP COCC#CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000677818571 482794030 /nfs/dbraw/zinc/79/40/30/482794030.db2.gz CDGSXBSPJIGMBB-UHFFFAOYSA-N 2 2 293.455 1.127 20 30 CDEDLP COCC#CCN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000677818571 482794034 /nfs/dbraw/zinc/79/40/34/482794034.db2.gz CDGSXBSPJIGMBB-UHFFFAOYSA-N 2 2 293.455 1.127 20 30 CDEDLP C=CCCCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000353223894 527156560 /nfs/dbraw/zinc/15/65/60/527156560.db2.gz KSOKTEYCJQSYTH-UHFFFAOYSA-N 2 2 296.459 1.668 20 30 CDEDLP C=C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000353578726 527440868 /nfs/dbraw/zinc/44/08/68/527440868.db2.gz RYZBTHXQBJNEFN-AWEZNQCLSA-N 2 2 261.369 1.183 20 30 CDEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970064285 613120632 /nfs/dbraw/zinc/12/06/32/613120632.db2.gz CHOGYLRWHHZBSB-GFCCVEGCSA-N 2 2 282.347 1.018 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000951750006 613294625 /nfs/dbraw/zinc/29/46/25/613294625.db2.gz NALKQODSBZJQSD-UKRRQHHQSA-N 2 2 279.428 1.293 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000951750006 613294628 /nfs/dbraw/zinc/29/46/28/613294628.db2.gz NALKQODSBZJQSD-UKRRQHHQSA-N 2 2 279.428 1.293 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970868964 613371571 /nfs/dbraw/zinc/37/15/71/613371571.db2.gz OTMNIXZOFVQYMI-NEPJUHHUSA-N 2 2 285.819 1.127 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970868964 613371572 /nfs/dbraw/zinc/37/15/72/613371572.db2.gz OTMNIXZOFVQYMI-NEPJUHHUSA-N 2 2 285.819 1.127 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000974845372 613609646 /nfs/dbraw/zinc/60/96/46/613609646.db2.gz SLKGYWZJMBXCEP-CQSZACIVSA-N 2 2 288.395 1.041 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000974845372 613609647 /nfs/dbraw/zinc/60/96/47/613609647.db2.gz SLKGYWZJMBXCEP-CQSZACIVSA-N 2 2 288.395 1.041 20 30 CDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969977868 613668680 /nfs/dbraw/zinc/66/86/80/613668680.db2.gz ALNSKTUCVLJIKO-QWHCGFSZSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969995262 613670117 /nfs/dbraw/zinc/67/01/17/613670117.db2.gz CQLLNLGVZKAIEA-STQMWFEESA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000957280058 613707491 /nfs/dbraw/zinc/70/74/91/613707491.db2.gz VJYYTVJBJLAIOO-UHFFFAOYSA-N 2 2 291.439 1.439 20 30 CDEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982680251 613822824 /nfs/dbraw/zinc/82/28/24/613822824.db2.gz QXAAHGYLLQLHDK-IYBDPMFKSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982680251 613822825 /nfs/dbraw/zinc/82/28/25/613822825.db2.gz QXAAHGYLLQLHDK-IYBDPMFKSA-N 2 2 288.395 1.309 20 30 CDEDLP C=C(C)C[NH+]1CCC(Nc2cc(N(C)C)[nH+]cn2)CC1 ZINC000892395171 618136592 /nfs/dbraw/zinc/13/65/92/618136592.db2.gz AWHRVLIMJUXGQZ-UHFFFAOYSA-N 2 2 275.400 1.995 20 30 CDEDLP C=C(C)C[NH+]1CCC(Nc2cc(N(C)C)nc[nH+]2)CC1 ZINC000892395171 618136597 /nfs/dbraw/zinc/13/65/97/618136597.db2.gz AWHRVLIMJUXGQZ-UHFFFAOYSA-N 2 2 275.400 1.995 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481406 1162637430 /nfs/dbraw/zinc/63/74/30/1162637430.db2.gz RVGDAPJXFQFWSP-UONOGXRCSA-N 2 2 290.411 1.506 20 30 CDEDLP C=CCC[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001753702418 1159888415 /nfs/dbraw/zinc/88/84/15/1159888415.db2.gz WZBJEGGHBUCSNX-ZDUSSCGKSA-N 2 2 286.379 1.961 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025870 1163139782 /nfs/dbraw/zinc/13/97/82/1163139782.db2.gz WORWTFXSVSOUIN-KGLIPLIRSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025870 1163139786 /nfs/dbraw/zinc/13/97/86/1163139786.db2.gz WORWTFXSVSOUIN-KGLIPLIRSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135062 1163580352 /nfs/dbraw/zinc/58/03/52/1163580352.db2.gz KZLUXGGQGUTGKC-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP Cc1c[nH+]c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c(/C=N/O)c1 ZINC001155528082 1167217398 /nfs/dbraw/zinc/21/73/98/1167217398.db2.gz XOTJPBIYRWMORU-KFNAJVHGSA-N 2 2 290.367 1.235 20 30 CDEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752640955 1184887332 /nfs/dbraw/zinc/88/73/32/1184887332.db2.gz CEBPOWHNOPUUPT-HDJSIYSDSA-N 2 2 288.395 1.187 20 30 CDEDLP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001752881983 1184948969 /nfs/dbraw/zinc/94/89/69/1184948969.db2.gz LHNOLBDNORWDGQ-KGLIPLIRSA-N 2 2 290.411 1.506 20 30 CDEDLP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001753206471 1185117180 /nfs/dbraw/zinc/11/71/80/1185117180.db2.gz VOFKMRCDMIMQMO-CYBMUJFWSA-N 2 2 276.384 1.070 20 30 CDEDLP C#CCC[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001753836327 1185351014 /nfs/dbraw/zinc/35/10/14/1185351014.db2.gz ZAZUANDRMQYHSN-CQSZACIVSA-N 2 2 276.384 1.027 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001753893134 1185384901 /nfs/dbraw/zinc/38/49/01/1185384901.db2.gz HDEAIFZWSXKQPG-JSGCOSHPSA-N 2 2 276.384 1.403 20 30 CDEDLP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001754013614 1185426707 /nfs/dbraw/zinc/42/67/07/1185426707.db2.gz OKTDNPAHCOQLTP-ZDUSSCGKSA-N 2 2 278.400 1.413 20 30 CDEDLP C=CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001040893949 742851336 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289.423 1.169 20 30 CDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001017940888 743020671 /nfs/dbraw/zinc/02/06/71/743020671.db2.gz CCGIIXWPQNKGNZ-HRCADAONSA-N 2 2 289.423 1.169 20 30 CDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001017940888 743020678 /nfs/dbraw/zinc/02/06/78/743020678.db2.gz CCGIIXWPQNKGNZ-HRCADAONSA-N 2 2 289.423 1.169 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081144 743269000 /nfs/dbraw/zinc/26/90/00/743269000.db2.gz HHIPFQFUDGZMFA-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081144 743269008 /nfs/dbraw/zinc/26/90/08/743269008.db2.gz HHIPFQFUDGZMFA-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000303884787 745031406 /nfs/dbraw/zinc/03/14/06/745031406.db2.gz MWCADTUMPCUADI-DZGCQCFKSA-N 2 2 292.427 1.537 20 30 CDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 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N#Cc1ccccc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673917 939915943 /nfs/dbraw/zinc/91/59/43/939915943.db2.gz VRWIEERKLJHGAE-OAHLLOKOSA-N 2 2 259.353 1.234 20 30 CDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898099 940108745 /nfs/dbraw/zinc/10/87/45/940108745.db2.gz CHBJTRXRPJFPSJ-UHFFFAOYSA-N 2 2 290.411 1.665 20 30 CDEDLP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001208596506 940345211 /nfs/dbraw/zinc/34/52/11/940345211.db2.gz RDYLMGGZEDGPCH-AWEZNQCLSA-N 2 2 280.437 1.992 20 30 CDEDLP CC[NH+]1CCC(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001208596506 940345214 /nfs/dbraw/zinc/34/52/14/940345214.db2.gz RDYLMGGZEDGPCH-AWEZNQCLSA-N 2 2 280.437 1.992 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210051344 940659213 /nfs/dbraw/zinc/65/92/13/940659213.db2.gz IJTGEXQXEOIABK-UONOGXRCSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051344 940659214 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C=CCN1C(=O)CCC12CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001256204442 948236117 /nfs/dbraw/zinc/23/61/17/948236117.db2.gz RSMDCIBMCJGLHX-UHFFFAOYSA-N 2 2 291.439 1.724 20 30 CDEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000591756309 342643830 /nfs/dbraw/zinc/64/38/30/342643830.db2.gz XXWMOJBDEDBMDX-FVQBIDKESA-N 2 2 290.411 1.397 20 30 CDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000594521387 342917058 /nfs/dbraw/zinc/91/70/58/342917058.db2.gz QIRXKPNOUBDIMR-ZDUSSCGKSA-N 2 2 291.420 1.963 20 30 CDEDLP C[C@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+]1C1CC1 ZINC000610813454 346444494 /nfs/dbraw/zinc/44/44/94/346444494.db2.gz HSVYULAOSXTYSS-GXTWGEPZSA-N 2 2 262.401 1.189 20 30 CDEDLP C[C@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+]1C1CC1 ZINC000610813454 346444496 /nfs/dbraw/zinc/44/44/96/346444496.db2.gz HSVYULAOSXTYSS-GXTWGEPZSA-N 2 2 262.401 1.189 20 30 CDEDLP N#Cc1cnn2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc12 ZINC000603894037 350326745 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C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC1(C#N)CCC1 ZINC000526135563 363821477 /nfs/dbraw/zinc/82/14/77/363821477.db2.gz JPBNWPYIHMAHCC-CQSZACIVSA-N 2 2 292.427 1.355 20 30 CDEDLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000581997383 373476246 /nfs/dbraw/zinc/47/62/46/373476246.db2.gz CNDNYDJNVIXCKX-FUHWJXTLSA-N 2 2 298.434 1.819 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(C#N)c(F)c1 ZINC000423502657 374385225 /nfs/dbraw/zinc/38/52/25/374385225.db2.gz FEYAUNVSQSZUOB-FZMZJTMJSA-N 2 2 276.359 1.252 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1C#N ZINC000282229398 375074240 /nfs/dbraw/zinc/07/42/40/375074240.db2.gz IKLWLDMGIOQHAN-AWEZNQCLSA-N 2 2 273.380 1.950 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1C#N ZINC000282229398 375074247 /nfs/dbraw/zinc/07/42/47/375074247.db2.gz IKLWLDMGIOQHAN-AWEZNQCLSA-N 2 2 273.380 1.950 20 30 CDEDLP COc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1C#N ZINC000282325851 375079412 /nfs/dbraw/zinc/07/94/12/375079412.db2.gz 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CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)C3CC3)CC2)cc1 ZINC000289392998 197326375 /nfs/dbraw/zinc/32/63/75/197326375.db2.gz FGSBJAAYPQECBY-SFHVURJKSA-N 2 2 299.418 1.883 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791703 390916807 /nfs/dbraw/zinc/91/68/07/390916807.db2.gz QXVDDXPSYJGHIF-ZIAGYGMSSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791703 390916808 /nfs/dbraw/zinc/91/68/08/390916808.db2.gz QXVDDXPSYJGHIF-ZIAGYGMSSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354222934 391411024 /nfs/dbraw/zinc/41/10/24/391411024.db2.gz KETRXELRISAXND-QWHCGFSZSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354222934 391411025 /nfs/dbraw/zinc/41/10/25/391411025.db2.gz KETRXELRISAXND-QWHCGFSZSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354222934 391411026 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Cc1cc(C#N)ccc1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222507183 941605086 /nfs/dbraw/zinc/60/50/86/941605086.db2.gz PSLXTWKEISBHJA-IRXDYDNUSA-N 2 2 284.407 1.393 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229559162 942491092 /nfs/dbraw/zinc/49/10/92/942491092.db2.gz PPSFVFSURHSTIQ-CYBMUJFWSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001229559162 942491095 /nfs/dbraw/zinc/49/10/95/942491095.db2.gz PPSFVFSURHSTIQ-CYBMUJFWSA-N 2 2 290.411 1.745 20 30 CDEDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233387423 943573999 /nfs/dbraw/zinc/57/39/99/943573999.db2.gz ISFQOROASBQRBF-GDBMZVCRSA-N 2 2 271.364 1.647 20 30 CDEDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233387423 943574007 /nfs/dbraw/zinc/57/40/07/943574007.db2.gz ISFQOROASBQRBF-GDBMZVCRSA-N 2 2 271.364 1.647 20 30 CDEDLP C=C(C)C(=O)NCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254839020 947617248 /nfs/dbraw/zinc/61/72/48/947617248.db2.gz KVGKDMSSUFUMDL-AWEZNQCLSA-N 2 2 265.401 1.143 20 30 CDEDLP C=CCC[C@@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001245984392 947880781 /nfs/dbraw/zinc/88/07/81/947880781.db2.gz MAHHSBYQUQQIPD-OLZOCXBDSA-N 2 2 286.416 1.352 20 30 CDEDLP C=CCCCCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246017207 947893705 /nfs/dbraw/zinc/89/37/05/947893705.db2.gz XJKPIFRFCYXVNS-GJZGRUSLSA-N 2 2 269.433 1.025 20 30 CDEDLP N#Cc1ccccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246532127 948231974 /nfs/dbraw/zinc/23/19/74/948231974.db2.gz XULGXMODZIXXTA-SJPCQFCGSA-N 2 2 296.418 1.963 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001326760718 954531514 /nfs/dbraw/zinc/53/15/14/954531514.db2.gz KSAREXAKVIZYET-CQSZACIVSA-N 2 2 290.411 1.807 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001369847499 959893711 /nfs/dbraw/zinc/89/37/11/959893711.db2.gz RARZVXRSCRQYDW-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001369847499 959893718 /nfs/dbraw/zinc/89/37/18/959893718.db2.gz RARZVXRSCRQYDW-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001369847499 959893725 /nfs/dbraw/zinc/89/37/25/959893725.db2.gz RARZVXRSCRQYDW-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001369847499 959893739 /nfs/dbraw/zinc/89/37/39/959893739.db2.gz RARZVXRSCRQYDW-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001448329204 967075176 /nfs/dbraw/zinc/07/51/76/967075176.db2.gz DGIVRPNJPOQSMG-GFCCVEGCSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001448329204 967075178 /nfs/dbraw/zinc/07/51/78/967075178.db2.gz DGIVRPNJPOQSMG-GFCCVEGCSA-N 2 2 287.835 1.517 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133194418 1163603035 /nfs/dbraw/zinc/60/30/35/1163603035.db2.gz FHOUFMBBUVTBDX-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593971254 342858838 /nfs/dbraw/zinc/85/88/38/342858838.db2.gz GLIZUKIHGKCNOQ-WFASDCNBSA-N 2 2 261.369 1.521 20 30 CDEDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593971254 342858839 /nfs/dbraw/zinc/85/88/39/342858839.db2.gz GLIZUKIHGKCNOQ-WFASDCNBSA-N 2 2 261.369 1.521 20 30 CDEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595472104 343072893 /nfs/dbraw/zinc/07/28/93/343072893.db2.gz HYMMLMGUVIEABY-CABCVRRESA-N 2 2 265.401 1.865 20 30 CDEDLP C[C@H](CCC#N)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595472104 343072894 /nfs/dbraw/zinc/07/28/94/343072894.db2.gz HYMMLMGUVIEABY-CABCVRRESA-N 2 2 265.401 1.865 20 30 CDEDLP C#CC[NH+](CC#C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000076185798 342320147 /nfs/dbraw/zinc/32/01/47/342320147.db2.gz YWZLFHIIVQDCOC-INIZCTEOSA-N 2 2 295.386 1.582 20 30 CDEDLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000599091494 343952132 /nfs/dbraw/zinc/95/21/32/343952132.db2.gz ANNPACARTPTVFB-DOMZBBRYSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000599091494 343952133 /nfs/dbraw/zinc/95/21/33/343952133.db2.gz ANNPACARTPTVFB-DOMZBBRYSA-N 2 2 259.353 1.275 20 30 CDEDLP N#CCSCCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599473980 344062201 /nfs/dbraw/zinc/06/22/01/344062201.db2.gz DFBWPIXEQLUDQZ-UHFFFAOYSA-N 2 2 283.441 1.430 20 30 CDEDLP COCC[C@H]([NH3+])C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC001579002571 1172076143 /nfs/dbraw/zinc/07/61/43/1172076143.db2.gz SCJZQLMXCBJFMU-GJZGRUSLSA-N 2 2 261.369 1.985 20 30 CDEDLP N#CCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611072254 346599083 /nfs/dbraw/zinc/59/90/83/346599083.db2.gz GGFVEGVJISYRMX-AWEZNQCLSA-N 2 2 278.400 1.094 20 30 CDEDLP N#CCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611072254 346599084 /nfs/dbraw/zinc/59/90/84/346599084.db2.gz GGFVEGVJISYRMX-AWEZNQCLSA-N 2 2 278.400 1.094 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000619719686 348191455 /nfs/dbraw/zinc/19/14/55/348191455.db2.gz UPFWBBXKXGNKBV-XQQFMLRXSA-N 2 2 263.341 1.494 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000619719686 348191456 /nfs/dbraw/zinc/19/14/56/348191456.db2.gz UPFWBBXKXGNKBV-XQQFMLRXSA-N 2 2 263.341 1.494 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000264120130 362972565 /nfs/dbraw/zinc/97/25/65/362972565.db2.gz QXOLSVQIIMLEJN-QWRGUYRKSA-N 2 2 284.429 1.290 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000264127214 362974027 /nfs/dbraw/zinc/97/40/27/362974027.db2.gz WVRNNYCMFSMLET-UHFFFAOYSA-N 2 2 260.385 1.599 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000264127214 362974039 /nfs/dbraw/zinc/97/40/39/362974039.db2.gz WVRNNYCMFSMLET-UHFFFAOYSA-N 2 2 260.385 1.599 20 30 CDEDLP CNC(NC[C@H](c1ccco1)[NH+]1CCCCC1)=[NH+]C ZINC000058159581 357380654 /nfs/dbraw/zinc/38/06/54/357380654.db2.gz KOINMQXDDTYXNY-GFCCVEGCSA-N 2 2 264.373 1.601 20 30 CDEDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C#N ZINC000135078866 357464948 /nfs/dbraw/zinc/46/49/48/357464948.db2.gz WMOIHTJYKQIQNC-AWEZNQCLSA-N 2 2 273.380 1.950 20 30 CDEDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C#N ZINC000135078866 357464952 /nfs/dbraw/zinc/46/49/52/357464952.db2.gz WMOIHTJYKQIQNC-AWEZNQCLSA-N 2 2 273.380 1.950 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(CCOC)c2)CC1 ZINC000266206854 359340197 /nfs/dbraw/zinc/34/01/97/359340197.db2.gz NAOKSJUIMZTJSV-UHFFFAOYSA-N 2 2 292.427 1.660 20 30 CDEDLP C=CCOCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000348043383 359793460 /nfs/dbraw/zinc/79/34/60/359793460.db2.gz GVMFCLWQFPEHQC-SJORKVTESA-N 2 2 295.471 1.537 20 30 CDEDLP C=CCOCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000348043383 359793464 /nfs/dbraw/zinc/79/34/64/359793464.db2.gz GVMFCLWQFPEHQC-SJORKVTESA-N 2 2 295.471 1.537 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000337176567 360010649 /nfs/dbraw/zinc/01/06/49/360010649.db2.gz JLJUIPYDGMKTDV-CABCVRRESA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000337176567 360010652 /nfs/dbraw/zinc/01/06/52/360010652.db2.gz JLJUIPYDGMKTDV-CABCVRRESA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)C2CC[NH+](C(C)C)CC2)C1=O ZINC000337143619 360005849 /nfs/dbraw/zinc/00/58/49/360005849.db2.gz VRTMZSLKZJJPHV-HNNXBMFYSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)C2CC[NH+](C(C)C)CC2)C1=O ZINC000337143619 360005851 /nfs/dbraw/zinc/00/58/51/360005851.db2.gz VRTMZSLKZJJPHV-HNNXBMFYSA-N 2 2 279.428 1.578 20 30 CDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CC#N)CC2)CC1 ZINC000541023976 368591613 /nfs/dbraw/zinc/59/16/13/368591613.db2.gz UDDUEMSYNJNFML-CQSZACIVSA-N 2 2 292.427 1.165 20 30 CDEDLP CC(C)[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1[nH]cc[nH+]1 ZINC000578986391 372549871 /nfs/dbraw/zinc/54/98/71/372549871.db2.gz YCTQCCQPMMORIV-MNOVXSKESA-N 2 2 263.345 1.244 20 30 CDEDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CCC[NH2+]1 ZINC000423414413 374381652 /nfs/dbraw/zinc/38/16/52/374381652.db2.gz MUORIESDNRRGCW-CZUORRHYSA-N 2 2 273.380 1.977 20 30 CDEDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(C#N)cc1 ZINC000423530245 374388091 /nfs/dbraw/zinc/38/80/91/374388091.db2.gz YPVOTUKUQMZWGM-HZPDHXFCSA-N 2 2 272.396 1.503 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000128449073 375129183 /nfs/dbraw/zinc/12/91/83/375129183.db2.gz KXVFHAVQOIFWHG-GDBMZVCRSA-N 2 2 282.428 1.499 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000128449073 375129189 /nfs/dbraw/zinc/12/91/89/375129189.db2.gz KXVFHAVQOIFWHG-GDBMZVCRSA-N 2 2 282.428 1.499 20 30 CDEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000131551345 375286073 /nfs/dbraw/zinc/28/60/73/375286073.db2.gz BCQQCARSCDVTJG-OKILXGFUSA-N 2 2 257.337 1.218 20 30 CDEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000131551345 375286078 /nfs/dbraw/zinc/28/60/78/375286078.db2.gz BCQQCARSCDVTJG-OKILXGFUSA-N 2 2 257.337 1.218 20 30 CDEDLP Fc1ccc(C#CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000571951843 377605921 /nfs/dbraw/zinc/60/59/21/377605921.db2.gz MPQIKNPYSUZHBF-UHFFFAOYSA-N 2 2 284.338 1.723 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280380838 377951243 /nfs/dbraw/zinc/95/12/43/377951243.db2.gz JXBKPSLEZNRKNN-CALCHBBNSA-N 2 2 299.418 1.352 20 30 CDEDLP C=CCNC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280380838 377951249 /nfs/dbraw/zinc/95/12/49/377951249.db2.gz JXBKPSLEZNRKNN-CALCHBBNSA-N 2 2 299.418 1.352 20 30 CDEDLP C=CCNC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280380838 377951255 /nfs/dbraw/zinc/95/12/55/377951255.db2.gz JXBKPSLEZNRKNN-CALCHBBNSA-N 2 2 299.418 1.352 20 30 CDEDLP C=CCNC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280380838 377951259 /nfs/dbraw/zinc/95/12/59/377951259.db2.gz JXBKPSLEZNRKNN-CALCHBBNSA-N 2 2 299.418 1.352 20 30 CDEDLP C=CCNC(NCC[N@@H+]1CCc2sccc2C1)=[NH+]C ZINC000103901172 390481819 /nfs/dbraw/zinc/48/18/19/390481819.db2.gz WVVUGPXYDKJFGI-UHFFFAOYSA-N 2 2 278.425 1.457 20 30 CDEDLP C=CCNC(NCC[N@H+]1CCc2sccc2C1)=[NH+]C ZINC000103901172 390481824 /nfs/dbraw/zinc/48/18/24/390481824.db2.gz WVVUGPXYDKJFGI-UHFFFAOYSA-N 2 2 278.425 1.457 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267288688 391191143 /nfs/dbraw/zinc/19/11/43/391191143.db2.gz IBDLRBOTJLWRBV-LBPRGKRZSA-N 2 2 296.390 1.197 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267288688 391191145 /nfs/dbraw/zinc/19/11/45/391191145.db2.gz IBDLRBOTJLWRBV-LBPRGKRZSA-N 2 2 296.390 1.197 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354223133 391411017 /nfs/dbraw/zinc/41/10/17/391411017.db2.gz NIRISIVYPPVVBX-HUUCEWRRSA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354223133 391411018 /nfs/dbraw/zinc/41/10/18/391411018.db2.gz NIRISIVYPPVVBX-HUUCEWRRSA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354223133 391411019 /nfs/dbraw/zinc/41/10/19/391411019.db2.gz NIRISIVYPPVVBX-HUUCEWRRSA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354223133 391411020 /nfs/dbraw/zinc/41/10/20/391411020.db2.gz NIRISIVYPPVVBX-HUUCEWRRSA-N 2 2 294.443 1.553 20 30 CDEDLP C=CC[N@@H+](C)CCN(CC)CC[NH+]1CCO[C@@H](C)C1 ZINC000411650306 391503119 /nfs/dbraw/zinc/50/31/19/391503119.db2.gz SZFKJGICWCFXOR-HNNXBMFYSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)CC[NH+]1CCO[C@@H](C)C1 ZINC000411650306 391503125 /nfs/dbraw/zinc/50/31/25/391503125.db2.gz SZFKJGICWCFXOR-HNNXBMFYSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[NH+](C)CCN(CC)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000411650306 391503129 /nfs/dbraw/zinc/50/31/29/391503129.db2.gz SZFKJGICWCFXOR-HNNXBMFYSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[NH+](C)CCN(CC)CC[N@H+]1CCO[C@@H](C)C1 ZINC000411650306 391503131 /nfs/dbraw/zinc/50/31/31/391503131.db2.gz SZFKJGICWCFXOR-HNNXBMFYSA-N 2 2 269.433 1.147 20 30 CDEDLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(=O)NC1CC1 ZINC000329921022 391799767 /nfs/dbraw/zinc/79/97/67/391799767.db2.gz FJIGSHNTHURBBZ-JTQLQIEISA-N 2 2 291.355 1.622 20 30 CDEDLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(=O)NC1CC1 ZINC000329921022 391799769 /nfs/dbraw/zinc/79/97/69/391799769.db2.gz FJIGSHNTHURBBZ-JTQLQIEISA-N 2 2 291.355 1.622 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000068800755 393056948 /nfs/dbraw/zinc/05/69/48/393056948.db2.gz QTJCCHGGYOWTNG-BBRMVZONSA-N 2 2 272.396 1.455 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000068800755 393056954 /nfs/dbraw/zinc/05/69/54/393056954.db2.gz QTJCCHGGYOWTNG-BBRMVZONSA-N 2 2 272.396 1.455 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000346133598 153064427 /nfs/dbraw/zinc/06/44/27/153064427.db2.gz JQYDMYRYUJZFFM-ZWNOBZJWSA-N 2 2 265.332 1.270 20 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CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376423690 755053453 /nfs/dbraw/zinc/05/34/53/755053453.db2.gz CYYMNOMUEPCHJZ-STQMWFEESA-N 2 2 276.384 1.290 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376423690 755053454 /nfs/dbraw/zinc/05/34/54/755053454.db2.gz CYYMNOMUEPCHJZ-STQMWFEESA-N 2 2 276.384 1.290 20 30 CDEDLP C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030442605 755055155 /nfs/dbraw/zinc/05/51/55/755055155.db2.gz ZEJMKTGHQCRHDO-HNNXBMFYSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030442605 755055163 /nfs/dbraw/zinc/05/51/63/755055163.db2.gz ZEJMKTGHQCRHDO-HNNXBMFYSA-N 2 2 277.412 1.073 20 30 CDEDLP CC#CC[NH+]1CCC(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001006341143 755229410 /nfs/dbraw/zinc/22/94/10/755229410.db2.gz TXGWPBJUCBBVHD-UHFFFAOYSA-N 2 2 288.395 1.207 20 30 CDEDLP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001031987214 755394777 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C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823950 755865496 /nfs/dbraw/zinc/86/54/96/755865496.db2.gz SEESMKGTLLPWOZ-ZDUSSCGKSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617979 756309654 /nfs/dbraw/zinc/30/96/54/756309654.db2.gz COHGJGTWSGAFSZ-AWEZNQCLSA-N 2 2 290.411 1.760 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617979 756309657 /nfs/dbraw/zinc/30/96/57/756309657.db2.gz COHGJGTWSGAFSZ-AWEZNQCLSA-N 2 2 290.411 1.760 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001076343748 756322931 /nfs/dbraw/zinc/32/29/31/756322931.db2.gz ODJFZENNFBQAKQ-VNHYZAJKSA-N 2 2 288.395 1.307 20 30 CDEDLP C[NH+]1CCN(C2CC[NH+](Cc3cncc(C#N)c3)CC2)CC1 ZINC000931547924 756393874 /nfs/dbraw/zinc/39/38/74/756393874.db2.gz DWQUBLFJYOLIKV-UHFFFAOYSA-N 2 2 299.422 1.165 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038237563 756395933 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C[C@H]1CNC(NN=C2CC[N@H+](Cc3ccccc3)[C@H]2C)=[NH+]1 ZINC000811646911 756947603 /nfs/dbraw/zinc/94/76/03/756947603.db2.gz QBUYQKGVKANMJW-STQMWFEESA-N 2 2 285.395 1.574 20 30 CDEDLP C[C@H]1CNC(NN=C2CC[N@@H+](Cc3ccccc3)[C@H]2C)=[NH+]1 ZINC000811646911 756947617 /nfs/dbraw/zinc/94/76/17/756947617.db2.gz QBUYQKGVKANMJW-STQMWFEESA-N 2 2 285.395 1.574 20 30 CDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000998930291 757101975 /nfs/dbraw/zinc/10/19/75/757101975.db2.gz QGMAXRWZCYGBDU-FIYWTHMPSA-N 2 2 274.368 1.278 20 30 CDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000998930291 757101990 /nfs/dbraw/zinc/10/19/90/757101990.db2.gz QGMAXRWZCYGBDU-FIYWTHMPSA-N 2 2 274.368 1.278 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014489643 757736511 /nfs/dbraw/zinc/73/65/11/757736511.db2.gz GPMQDZAGSJRXIO-JHJVBQTASA-N 2 2 285.819 1.270 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014489643 757736522 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290.411 1.806 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001072029122 757938390 /nfs/dbraw/zinc/93/83/90/757938390.db2.gz FZXBVVMRLVZPHT-TZMCWYRMSA-N 2 2 290.411 1.806 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001044822809 758141413 /nfs/dbraw/zinc/14/14/13/758141413.db2.gz KJXWRLXFCGWFAT-CHWSQXEVSA-N 2 2 276.384 1.118 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000883131910 758777406 /nfs/dbraw/zinc/77/74/06/758777406.db2.gz YOKQOUFEUDKTOH-UHFFFAOYSA-N 2 2 256.353 1.608 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000883131910 758777418 /nfs/dbraw/zinc/77/74/18/758777418.db2.gz YOKQOUFEUDKTOH-UHFFFAOYSA-N 2 2 256.353 1.608 20 30 CDEDLP CN(C)C(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000176397880 913195769 /nfs/dbraw/zinc/19/57/69/913195769.db2.gz SPUMCNKMJWTDTC-UHFFFAOYSA-N 2 2 252.337 1.134 20 30 CDEDLP CN(C)C(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000176397880 913195783 /nfs/dbraw/zinc/19/57/83/913195783.db2.gz SPUMCNKMJWTDTC-UHFFFAOYSA-N 2 2 252.337 1.134 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874601 914487842 /nfs/dbraw/zinc/48/78/42/914487842.db2.gz LZTJEYBAKPTWFS-CHWSQXEVSA-N 2 2 290.411 1.557 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001482142721 902758162 /nfs/dbraw/zinc/75/81/62/902758162.db2.gz AZPNMACUEYFJLL-SECBINFHSA-N 2 2 270.764 1.047 20 30 CDEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001172309204 911550722 /nfs/dbraw/zinc/55/07/22/911550722.db2.gz RYFYLCPNHBLSCC-AWEZNQCLSA-N 2 2 287.407 1.536 20 30 CDEDLP C[C@@H](CCCC#N)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001172485914 911687647 /nfs/dbraw/zinc/68/76/47/911687647.db2.gz VMLUXPPPXLPXJH-LBPRGKRZSA-N 2 2 277.372 1.145 20 30 CDEDLP C=CC[NH2+]CCCCCCNC(=O)CCc1c[nH+]cn1C ZINC001180178225 916174360 /nfs/dbraw/zinc/17/43/60/916174360.db2.gz AQNBLTBJNZSXBQ-UHFFFAOYSA-N 2 2 292.427 1.805 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001254647423 936432280 /nfs/dbraw/zinc/43/22/80/936432280.db2.gz CQJMRQALRRHURE-MCIONIFRSA-N 2 2 263.385 1.522 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001254647423 936432282 /nfs/dbraw/zinc/43/22/82/936432282.db2.gz CQJMRQALRRHURE-MCIONIFRSA-N 2 2 263.385 1.522 20 30 CDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185217941 919482702 /nfs/dbraw/zinc/48/27/02/919482702.db2.gz XQVHAIMOXZHOBT-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576246 920084660 /nfs/dbraw/zinc/08/46/60/920084660.db2.gz NXZYIMMPWCSDRJ-CHWSQXEVSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188346451 920983660 /nfs/dbraw/zinc/98/36/60/920983660.db2.gz OYBMQXWUCGGMJY-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP Cc1cc(N2CC[NH+](Cc3ccc(C#N)nc3)CC2)cc[nH+]1 ZINC001140547382 936723988 /nfs/dbraw/zinc/72/39/88/936723988.db2.gz QOJSVLKKLVEIMW-UHFFFAOYSA-N 2 2 293.374 1.979 20 30 CDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448569 924242555 /nfs/dbraw/zinc/24/25/55/924242555.db2.gz HBNYWEIQHDIPOF-HNNXBMFYSA-N 2 2 288.395 1.219 20 30 CDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448569 924242566 /nfs/dbraw/zinc/24/25/66/924242566.db2.gz HBNYWEIQHDIPOF-HNNXBMFYSA-N 2 2 288.395 1.219 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100921737 936945367 /nfs/dbraw/zinc/94/53/67/936945367.db2.gz ZJJRTSXUZOGIEA-UHFFFAOYSA-N 2 2 276.384 1.321 20 30 CDEDLP C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C1CC[NH+](C)CC1 ZINC001273827722 926059822 /nfs/dbraw/zinc/05/98/22/926059822.db2.gz VXYXCIVWBRIAMG-KRWDZBQOSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C1CC[NH+](C)CC1 ZINC001273827722 926059825 /nfs/dbraw/zinc/05/98/25/926059825.db2.gz VXYXCIVWBRIAMG-KRWDZBQOSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985292 926572935 /nfs/dbraw/zinc/57/29/35/926572935.db2.gz XUWMJENCRBRQSS-QGZVFWFLSA-N 2 2 299.418 1.528 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985292 926572941 /nfs/dbraw/zinc/57/29/41/926572941.db2.gz XUWMJENCRBRQSS-QGZVFWFLSA-N 2 2 299.418 1.528 20 30 CDEDLP N#CCc1cc(NCCc2cn3ccccc3[nH+]2)cc[nH+]1 ZINC001169008930 927614191 /nfs/dbraw/zinc/61/41/91/927614191.db2.gz LJRZUNADRHHJDL-UHFFFAOYSA-N 2 2 277.331 1.872 20 30 CDEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055695 930019478 /nfs/dbraw/zinc/01/94/78/930019478.db2.gz GTMWSFORYVRBFZ-KGLIPLIRSA-N 2 2 290.411 1.249 20 30 CDEDLP C#CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248816 937788793 /nfs/dbraw/zinc/78/87/93/937788793.db2.gz XFMXXDODOAYPEP-UHFFFAOYSA-N 2 2 288.395 1.315 20 30 CDEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096655471 936202152 /nfs/dbraw/zinc/20/21/52/936202152.db2.gz UTFIGZUBHUJRRU-ILXRZTDVSA-N 2 2 288.395 1.571 20 30 CDEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096655471 936202156 /nfs/dbraw/zinc/20/21/56/936202156.db2.gz UTFIGZUBHUJRRU-ILXRZTDVSA-N 2 2 288.395 1.571 20 30 CDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157247918 938469254 /nfs/dbraw/zinc/46/92/54/938469254.db2.gz CIZJDZGUYVEGBO-OAHLLOKOSA-N 2 2 290.411 1.513 20 30 CDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157247918 938469256 /nfs/dbraw/zinc/46/92/56/938469256.db2.gz CIZJDZGUYVEGBO-OAHLLOKOSA-N 2 2 290.411 1.513 20 30 CDEDLP CC(C)c1ccc(C#N)c(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161867694 938937126 /nfs/dbraw/zinc/93/71/26/938937126.db2.gz WZHGIRFWHOWOTG-UHFFFAOYSA-N 2 2 287.411 1.912 20 30 CDEDLP N#CC1(c2cc[nH+]c(NC[C@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC001163152652 939214333 /nfs/dbraw/zinc/21/43/33/939214333.db2.gz DCQOLOBAMBSDNW-BBRMVZONSA-N 2 2 284.363 1.285 20 30 CDEDLP Cc1[nH+]c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)ccc1CC#N ZINC001165153251 939520145 /nfs/dbraw/zinc/52/01/45/939520145.db2.gz WQKCLFJFSJGZMT-KBPBESRZSA-N 2 2 256.353 1.454 20 30 CDEDLP Cc1ccc(CC#N)c(N2CC[C@H]([NH3+])C(F)(F)C2)[nH+]1 ZINC001166960421 939661017 /nfs/dbraw/zinc/66/10/17/939661017.db2.gz JEGATDKKLMZINM-NSHDSACASA-N 2 2 266.295 1.629 20 30 CDEDLP C#CCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209264064 940453923 /nfs/dbraw/zinc/45/39/23/940453923.db2.gz VFNDBUUUZNUIJX-CALCHBBNSA-N 2 2 269.392 1.859 20 30 CDEDLP C#CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209264064 940453926 /nfs/dbraw/zinc/45/39/26/940453926.db2.gz VFNDBUUUZNUIJX-CALCHBBNSA-N 2 2 269.392 1.859 20 30 CDEDLP C#CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001209264064 940453928 /nfs/dbraw/zinc/45/39/28/940453928.db2.gz VFNDBUUUZNUIJX-CALCHBBNSA-N 2 2 269.392 1.859 20 30 CDEDLP C#CCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001209264064 940453930 /nfs/dbraw/zinc/45/39/30/940453930.db2.gz VFNDBUUUZNUIJX-CALCHBBNSA-N 2 2 269.392 1.859 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215269099 940869576 /nfs/dbraw/zinc/86/95/76/940869576.db2.gz LQQIMFSAPVOSCC-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216993611 940971852 /nfs/dbraw/zinc/97/18/52/940971852.db2.gz MBEOPGFDIYPPLB-HUUCEWRRSA-N 2 2 288.395 1.123 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216975934 940972354 /nfs/dbraw/zinc/97/23/54/940972354.db2.gz ZYGSUIWRFDNIBV-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP N#Cc1c2c(sc1NC(=O)C1([NH3+])CC[NH2+]CC1)CCC2 ZINC001218548501 941235221 /nfs/dbraw/zinc/23/52/21/941235221.db2.gz OKUYPWHBVHPWHH-UHFFFAOYSA-N 2 2 290.392 1.128 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222106018 941566995 /nfs/dbraw/zinc/56/69/95/941566995.db2.gz ZGVYVYLLDCEURG-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225936827 941931354 /nfs/dbraw/zinc/93/13/54/941931354.db2.gz WVMAGRQXMRVRBP-CHWSQXEVSA-N 2 2 276.384 1.545 20 30 CDEDLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C#N)ccc3O)C[C@H]2C1 ZINC001232681307 943362082 /nfs/dbraw/zinc/36/20/82/943362082.db2.gz PEXYTJOWXCNAQH-HUUCEWRRSA-N 2 2 271.364 1.647 20 30 CDEDLP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001235632085 944227135 /nfs/dbraw/zinc/22/71/35/944227135.db2.gz IRCSVTUKGXBNIB-GUYCJALGSA-N 2 2 298.390 1.334 20 30 CDEDLP C[C@H]([NH3+])C[N@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001235632085 944227143 /nfs/dbraw/zinc/22/71/43/944227143.db2.gz IRCSVTUKGXBNIB-GUYCJALGSA-N 2 2 298.390 1.334 20 30 CDEDLP N#Cc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1F ZINC001235992930 944359941 /nfs/dbraw/zinc/35/99/41/944359941.db2.gz PAFVJDYSBNMAKV-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP N#Cc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1F ZINC001235992930 944359948 /nfs/dbraw/zinc/35/99/48/944359948.db2.gz PAFVJDYSBNMAKV-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP CC[C@H](C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001256621585 948366626 /nfs/dbraw/zinc/36/66/26/948366626.db2.gz XBXAQPCIORQHLK-ZZIFITQXSA-N 2 2 269.389 1.121 20 30 CDEDLP CC[C@H](C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NO ZINC001256621585 948366631 /nfs/dbraw/zinc/36/66/31/948366631.db2.gz XBXAQPCIORQHLK-ZZIFITQXSA-N 2 2 269.389 1.121 20 30 CDEDLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC[NH2+]1 ZINC001246692940 948406623 /nfs/dbraw/zinc/40/66/23/948406623.db2.gz ITLPZYVDPURDGA-YUSALJHKSA-N 2 2 252.383 1.401 20 30 CDEDLP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC[NH2+]1 ZINC001246692940 948406628 /nfs/dbraw/zinc/40/66/28/948406628.db2.gz ITLPZYVDPURDGA-YUSALJHKSA-N 2 2 252.383 1.401 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001439876558 963887211 /nfs/dbraw/zinc/88/72/11/963887211.db2.gz YNSNPIIPZCYBEP-AWEZNQCLSA-N 2 2 296.802 1.525 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001439876558 963887214 /nfs/dbraw/zinc/88/72/14/963887214.db2.gz YNSNPIIPZCYBEP-AWEZNQCLSA-N 2 2 296.802 1.525 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100281227 967887190 /nfs/dbraw/zinc/88/71/90/967887190.db2.gz UDFFAIBXMCYRHG-UHFFFAOYSA-N 2 2 262.357 1.013 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374355464 973906924 /nfs/dbraw/zinc/90/69/24/973906924.db2.gz HPMCNEHKQUIMFY-LBPRGKRZSA-N 2 2 298.818 1.825 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001406702938 976373431 /nfs/dbraw/zinc/37/34/31/976373431.db2.gz ULJUDGSNWJUEPC-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001406702938 976373441 /nfs/dbraw/zinc/37/34/41/976373441.db2.gz ULJUDGSNWJUEPC-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)CC ZINC001406702938 976373450 /nfs/dbraw/zinc/37/34/50/976373450.db2.gz ULJUDGSNWJUEPC-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)CC ZINC001406702938 976373458 /nfs/dbraw/zinc/37/34/58/976373458.db2.gz ULJUDGSNWJUEPC-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000591770918 342646090 /nfs/dbraw/zinc/64/60/90/342646090.db2.gz KCAFGEQVFDXUIH-INIZCTEOSA-N 2 2 287.407 1.763 20 30 CDEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000591770918 342646091 /nfs/dbraw/zinc/64/60/91/342646091.db2.gz KCAFGEQVFDXUIH-INIZCTEOSA-N 2 2 287.407 1.763 20 30 CDEDLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000595513537 343082552 /nfs/dbraw/zinc/08/25/52/343082552.db2.gz VOGHHARTUULLQD-LSDHHAIUSA-N 2 2 279.428 1.751 20 30 CDEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc(C#N)cc1 ZINC000596653295 343371751 /nfs/dbraw/zinc/37/17/51/343371751.db2.gz ZTZPVTGUKBZVMR-XJKSGUPXSA-N 2 2 273.380 1.457 20 30 CDEDLP N#CCCN(C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000603833582 344838857 /nfs/dbraw/zinc/83/88/57/344838857.db2.gz VLYRUZPIZJCFDH-GJZGRUSLSA-N 2 2 298.390 1.084 20 30 CDEDLP CC1(C#N)CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000449121813 362626172 /nfs/dbraw/zinc/62/61/72/362626172.db2.gz IWYHNJAVYIZMAJ-BBBYJDLNSA-N 2 2 292.427 1.388 20 30 CDEDLP CC1(C#N)CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000449121813 362626174 /nfs/dbraw/zinc/62/61/74/362626174.db2.gz IWYHNJAVYIZMAJ-BBBYJDLNSA-N 2 2 292.427 1.388 20 30 CDEDLP CC(C)CNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264095903 362966010 /nfs/dbraw/zinc/96/60/10/362966010.db2.gz MOCVSNBACGUMKY-GFCCVEGCSA-N 2 2 268.430 1.911 20 30 CDEDLP COCCNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000264105516 362968401 /nfs/dbraw/zinc/96/84/01/362968401.db2.gz PIQDLIACRHHNAC-CQSZACIVSA-N 2 2 278.400 1.148 20 30 CDEDLP C[C@@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271864733 191377161 /nfs/dbraw/zinc/37/71/61/191377161.db2.gz LDWMHHPMFMZENF-CQSZACIVSA-N 2 2 287.407 1.741 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000221155986 356550070 /nfs/dbraw/zinc/55/00/70/356550070.db2.gz AQRKVIHFWXRIEH-OAHLLOKOSA-N 2 2 258.365 1.882 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000221155986 356550074 /nfs/dbraw/zinc/55/00/74/356550074.db2.gz AQRKVIHFWXRIEH-OAHLLOKOSA-N 2 2 258.365 1.882 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1C#N ZINC000290585293 357226777 /nfs/dbraw/zinc/22/67/77/357226777.db2.gz UWCXUWIDGFGCON-ZBFHGGJFSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1C#N ZINC000290585293 357226780 /nfs/dbraw/zinc/22/67/80/357226780.db2.gz UWCXUWIDGFGCON-ZBFHGGJFSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C#N ZINC000290585293 357226783 /nfs/dbraw/zinc/22/67/83/357226783.db2.gz UWCXUWIDGFGCON-ZBFHGGJFSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1C#N ZINC000290585293 357226784 /nfs/dbraw/zinc/22/67/84/357226784.db2.gz UWCXUWIDGFGCON-ZBFHGGJFSA-N 2 2 272.396 1.813 20 30 CDEDLP C=CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccco1 ZINC000428213151 360703069 /nfs/dbraw/zinc/70/30/69/360703069.db2.gz QQIGPMCKJGSKMT-QWHCGFSZSA-N 2 2 252.358 1.799 20 30 CDEDLP CN(C)C(=[NH+]Cc1cccnc1-n1cc[nH+]c1)N(C)C ZINC000170912418 365161937 /nfs/dbraw/zinc/16/19/37/365161937.db2.gz ZXWNJFQZINZETQ-UHFFFAOYSA-N 2 2 272.356 1.247 20 30 CDEDLP C=C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000567558250 371031992 /nfs/dbraw/zinc/03/19/92/371031992.db2.gz QKMKWFOMHSSICF-RISCZKNCSA-N 2 2 284.319 1.797 20 30 CDEDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(C#N)cn3)CC2)CC1 ZINC000301109039 373865891 /nfs/dbraw/zinc/86/58/91/373865891.db2.gz MIDDHBQKFGAPEW-UHFFFAOYSA-N 2 2 299.422 1.924 20 30 CDEDLP N#CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804717 376738092 /nfs/dbraw/zinc/73/80/92/376738092.db2.gz VAHKPPXHUGOKLY-CQSZACIVSA-N 2 2 251.374 1.334 20 30 CDEDLP N#CCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804717 376738102 /nfs/dbraw/zinc/73/81/02/376738102.db2.gz VAHKPPXHUGOKLY-CQSZACIVSA-N 2 2 251.374 1.334 20 30 CDEDLP C#CC[N@H+](C)CCCNc1[nH+]c2ccccc2n1C ZINC000292865803 377648770 /nfs/dbraw/zinc/64/87/70/377648770.db2.gz SMYFVKMYPRPFJR-UHFFFAOYSA-N 2 2 256.353 1.940 20 30 CDEDLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000447528880 250382290 /nfs/dbraw/zinc/38/22/90/250382290.db2.gz JRFVMUFYKCJVLY-HUUCEWRRSA-N 2 2 261.369 1.521 20 30 CDEDLP COc1cc[nH+]c(N2CC[NH+](CCCCC#N)CC2)c1 ZINC000104720407 390490879 /nfs/dbraw/zinc/49/08/79/390490879.db2.gz JAMCNKFCNHNGNX-UHFFFAOYSA-N 2 2 274.368 1.906 20 30 CDEDLP C=C[C@H](CO)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000352465454 391148569 /nfs/dbraw/zinc/14/85/69/391148569.db2.gz KCTVQMNVOISNOI-LLVKDONJSA-N 2 2 281.425 1.546 20 30 CDEDLP C=C[C@H](CO)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000352465454 391148574 /nfs/dbraw/zinc/14/85/74/391148574.db2.gz KCTVQMNVOISNOI-LLVKDONJSA-N 2 2 281.425 1.546 20 30 CDEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000114455921 391190491 /nfs/dbraw/zinc/19/04/91/391190491.db2.gz CSMJWGVAWNPGAL-UHFFFAOYSA-N 2 2 292.427 1.211 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332020276 391299285 /nfs/dbraw/zinc/29/92/85/391299285.db2.gz QRTCMEGAGIFLJO-HOCLYGCPSA-N 2 2 294.443 1.457 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332020276 391299286 /nfs/dbraw/zinc/29/92/86/391299286.db2.gz QRTCMEGAGIFLJO-HOCLYGCPSA-N 2 2 294.443 1.457 20 30 CDEDLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353380416 391629721 /nfs/dbraw/zinc/62/97/21/391629721.db2.gz BSOUSXXBJCMWTE-ZFWWWQNUSA-N 2 2 259.353 1.058 20 30 CDEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCc1ccsc1 ZINC000262712727 391815350 /nfs/dbraw/zinc/81/53/50/391815350.db2.gz MFURSBCVVWNUSO-UHFFFAOYSA-N 2 2 263.370 1.310 20 30 CDEDLP CC(C)(CCC#N)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000344204921 391897468 /nfs/dbraw/zinc/89/74/68/391897468.db2.gz BNONOMCZVQIAGV-ZDUSSCGKSA-N 2 2 280.416 1.246 20 30 CDEDLP CC(C)(CCC#N)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000344204921 391897469 /nfs/dbraw/zinc/89/74/69/391897469.db2.gz BNONOMCZVQIAGV-ZDUSSCGKSA-N 2 2 280.416 1.246 20 30 CDEDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C#N)cc1 ZINC000423550774 392964752 /nfs/dbraw/zinc/96/47/52/392964752.db2.gz FXFLJIWBQPEQFR-CABCVRRESA-N 2 2 259.353 1.587 20 30 CDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329206848 227352241 /nfs/dbraw/zinc/35/22/41/227352241.db2.gz ZRXVDZPXEYVPRL-VXGBXAGGSA-N 2 2 292.383 1.192 20 30 CDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329206848 227352246 /nfs/dbraw/zinc/35/22/46/227352246.db2.gz ZRXVDZPXEYVPRL-VXGBXAGGSA-N 2 2 292.383 1.192 20 30 CDEDLP NC(=[NH+]OCC[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000194409056 262237209 /nfs/dbraw/zinc/23/72/09/262237209.db2.gz OMSYPJVXAMRFBM-UHFFFAOYSA-N 2 2 289.379 1.744 20 30 CDEDLP C=CCc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc(OC)c1O ZINC000414847152 263063487 /nfs/dbraw/zinc/06/34/87/263063487.db2.gz OJCKIDPGPMVBQG-AWEZNQCLSA-N 2 2 276.380 1.971 20 30 CDEDLP CNC(NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C)=[NH+]C ZINC000286960874 263100324 /nfs/dbraw/zinc/10/03/24/263100324.db2.gz BIRAIHWPPKJZGA-HNNXBMFYSA-N 2 2 292.427 1.871 20 30 CDEDLP C=CCC(C)(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000342044848 263383243 /nfs/dbraw/zinc/38/32/43/263383243.db2.gz GHXZGMIXFCOCLW-UHFFFAOYSA-N 2 2 281.444 1.731 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330807743 264043548 /nfs/dbraw/zinc/04/35/48/264043548.db2.gz JKIUTUKEGGJVIM-JTQLQIEISA-N 2 2 293.371 1.028 20 30 CDEDLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000574581384 295023029 /nfs/dbraw/zinc/02/30/29/295023029.db2.gz JFEYZKGKAJYQLV-UHFFFAOYSA-N 2 2 287.407 1.883 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000563422864 328064216 /nfs/dbraw/zinc/06/42/16/328064216.db2.gz HHXWQSSKRILGJF-DZGCQCFKSA-N 3 2 251.418 1.886 20 30 CDEDLP Cc1cc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)on1 ZINC000267000980 328171147 /nfs/dbraw/zinc/17/11/47/328171147.db2.gz HDDLOWUQOSJLPO-UHFFFAOYSA-N 2 2 288.351 1.882 20 30 CDEDLP CC(C)NC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000263233001 330050034 /nfs/dbraw/zinc/05/00/34/330050034.db2.gz IQJSLTAGKOHEJC-TXEJJXNPSA-N 2 2 270.421 1.187 20 30 CDEDLP CC(C)NC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000263233001 330050036 /nfs/dbraw/zinc/05/00/36/330050036.db2.gz IQJSLTAGKOHEJC-TXEJJXNPSA-N 2 2 270.421 1.187 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000422974561 330164730 /nfs/dbraw/zinc/16/47/30/330164730.db2.gz FIIJYHADWLGLIZ-GOEBONIOSA-N 3 2 281.444 1.384 20 30 CDEDLP C=CCC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449700617 330944870 /nfs/dbraw/zinc/94/48/70/330944870.db2.gz UPRPJSQMDVXCAH-QGZVFWFLSA-N 2 2 289.423 1.963 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000490780363 332115206 /nfs/dbraw/zinc/11/52/06/332115206.db2.gz KONDJMXVIYJNPH-HOTGVXAUSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000490780363 332115207 /nfs/dbraw/zinc/11/52/07/332115207.db2.gz KONDJMXVIYJNPH-HOTGVXAUSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@H](C)C(C)C)CC1 ZINC000490852920 332121115 /nfs/dbraw/zinc/12/11/15/332121115.db2.gz ONNXPRWTWMUTHM-OAHLLOKOSA-N 2 2 279.428 1.130 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@H](C)C(C)C)CC1 ZINC000490852920 332121116 /nfs/dbraw/zinc/12/11/16/332121116.db2.gz ONNXPRWTWMUTHM-OAHLLOKOSA-N 2 2 279.428 1.130 20 30 CDEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000491503708 332224321 /nfs/dbraw/zinc/22/43/21/332224321.db2.gz DRMOVBJUSPPCKE-CYBMUJFWSA-N 2 2 266.385 1.405 20 30 CDEDLP C=CCOCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000576050536 335146267 /nfs/dbraw/zinc/14/62/67/335146267.db2.gz JUHFAHPUPJKLHA-AWEZNQCLSA-N 2 2 268.401 1.374 20 30 CDEDLP C=CCOCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000576050536 335146268 /nfs/dbraw/zinc/14/62/68/335146268.db2.gz JUHFAHPUPJKLHA-AWEZNQCLSA-N 2 2 268.401 1.374 20 30 CDEDLP COCC#CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000677478293 482680741 /nfs/dbraw/zinc/68/07/41/482680741.db2.gz UGGLIYDVFPMDMY-IAGOWNOFSA-N 2 2 293.455 1.127 20 30 CDEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3ccccn3)cn2)CC1 ZINC000755519896 576948181 /nfs/dbraw/zinc/94/81/81/576948181.db2.gz RHKBPMIIRFLBHA-UHFFFAOYSA-N 2 2 297.366 1.069 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040538 613283469 /nfs/dbraw/zinc/28/34/69/613283469.db2.gz RFYMSNSWJPGOEM-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040538 613283470 /nfs/dbraw/zinc/28/34/70/613283470.db2.gz RFYMSNSWJPGOEM-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000949473101 613317895 /nfs/dbraw/zinc/31/78/95/613317895.db2.gz PQOZMVALSSVJAH-MRXNPFEDSA-N 2 2 291.439 1.581 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939211162 613386247 /nfs/dbraw/zinc/38/62/47/613386247.db2.gz QRAIFFCRORUJSR-JOYOIKCWSA-N 2 2 282.775 1.141 20 30 CDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000981379892 613494674 /nfs/dbraw/zinc/49/46/74/613494674.db2.gz YADDZWDUDBIYSN-ZIAGYGMSSA-N 2 2 288.395 1.624 20 30 CDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000981379892 613494676 /nfs/dbraw/zinc/49/46/76/613494676.db2.gz YADDZWDUDBIYSN-ZIAGYGMSSA-N 2 2 288.395 1.624 20 30 CDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000981379892 613494678 /nfs/dbraw/zinc/49/46/78/613494678.db2.gz YADDZWDUDBIYSN-ZIAGYGMSSA-N 2 2 288.395 1.624 20 30 CDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000981379892 613494679 /nfs/dbraw/zinc/49/46/79/613494679.db2.gz YADDZWDUDBIYSN-ZIAGYGMSSA-N 2 2 288.395 1.624 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886401 613500861 /nfs/dbraw/zinc/50/08/61/613500861.db2.gz NIJLSJSINBIYOL-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886401 613500863 /nfs/dbraw/zinc/50/08/63/613500863.db2.gz NIJLSJSINBIYOL-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947862009 613536654 /nfs/dbraw/zinc/53/66/54/613536654.db2.gz RFUIRXIXCZITII-OLZOCXBDSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947862009 613536655 /nfs/dbraw/zinc/53/66/55/613536655.db2.gz RFUIRXIXCZITII-OLZOCXBDSA-N 2 2 276.384 1.497 20 30 CDEDLP CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948756041 613562464 /nfs/dbraw/zinc/56/24/64/613562464.db2.gz UBVZRHNNITXONP-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948756041 613562468 /nfs/dbraw/zinc/56/24/68/613562468.db2.gz UBVZRHNNITXONP-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP CCOCCCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000104153770 617483131 /nfs/dbraw/zinc/48/31/31/617483131.db2.gz KGUDWZVXLNTBRD-HNNXBMFYSA-N 2 2 292.427 1.620 20 30 CDEDLP C[C@H]1CC(N=NC2=[NH+]CCN2)C[N@H+](Cc2ccccc2)C1 ZINC000841662339 617612530 /nfs/dbraw/zinc/61/25/30/617612530.db2.gz WHSDSKOVYMVPNL-ZDUSSCGKSA-N 2 2 285.395 1.433 20 30 CDEDLP C[C@H]1CC(N=NC2=[NH+]CCN2)C[N@@H+](Cc2ccccc2)C1 ZINC000841662339 617612535 /nfs/dbraw/zinc/61/25/35/617612535.db2.gz WHSDSKOVYMVPNL-ZDUSSCGKSA-N 2 2 285.395 1.433 20 30 CDEDLP C=CCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001252619996 1164721973 /nfs/dbraw/zinc/72/19/73/1164721973.db2.gz PXBKZLLNSANCLG-DZGCQCFKSA-N 2 2 268.401 1.156 20 30 CDEDLP C=CCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001252619996 1164721978 /nfs/dbraw/zinc/72/19/78/1164721978.db2.gz PXBKZLLNSANCLG-DZGCQCFKSA-N 2 2 268.401 1.156 20 30 CDEDLP C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001574757602 1171005293 /nfs/dbraw/zinc/00/52/93/1171005293.db2.gz VQCNERIRGDLOHL-GOSISDBHSA-N 2 2 297.402 1.824 20 30 CDEDLP C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001574757602 1171005301 /nfs/dbraw/zinc/00/53/01/1171005301.db2.gz VQCNERIRGDLOHL-GOSISDBHSA-N 2 2 297.402 1.824 20 30 CDEDLP CC#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713411304 1178546495 /nfs/dbraw/zinc/54/64/95/1178546495.db2.gz ZFPKMWFQOCSQGP-ZDUSSCGKSA-N 2 2 290.411 1.434 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713831410 1178782827 /nfs/dbraw/zinc/78/28/27/1178782827.db2.gz ASBYGZREIXKYLH-KBPBESRZSA-N 2 2 274.368 1.048 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713831410 1178782832 /nfs/dbraw/zinc/78/28/32/1178782832.db2.gz ASBYGZREIXKYLH-KBPBESRZSA-N 2 2 274.368 1.048 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752971300 1184979816 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OTHBKUHVZDMBFL-UHFFFAOYSA-N 2 2 290.411 1.795 20 30 CDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165374034 939552966 /nfs/dbraw/zinc/55/29/66/939552966.db2.gz OTHBKUHVZDMBFL-UHFFFAOYSA-N 2 2 290.411 1.795 20 30 CDEDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001205064097 939818984 /nfs/dbraw/zinc/81/89/84/939818984.db2.gz HNMNTPXUVOGDGD-JSGCOSHPSA-N 2 2 259.353 1.901 20 30 CDEDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001205064097 939818986 /nfs/dbraw/zinc/81/89/86/939818986.db2.gz HNMNTPXUVOGDGD-JSGCOSHPSA-N 2 2 259.353 1.901 20 30 CDEDLP C=CCC[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898593 940109017 /nfs/dbraw/zinc/10/90/17/940109017.db2.gz XXGSXHAJPOUNGZ-UHFFFAOYSA-N 2 2 290.411 1.665 20 30 CDEDLP Cc1nc(C#N)c(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)o1 ZINC001218650021 941251864 /nfs/dbraw/zinc/25/18/64/941251864.db2.gz QWGFQAUNUGRTAA-LLVKDONJSA-N 2 2 285.307 1.066 20 30 CDEDLP C[C@@H](C#N)c1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1 ZINC001218871842 941282023 /nfs/dbraw/zinc/28/20/23/941282023.db2.gz VAWQNUNIOUYORV-YDEYXMKJSA-N 2 2 284.363 1.474 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228852948 942383890 /nfs/dbraw/zinc/38/38/90/942383890.db2.gz LXMNKOOSCQQLCC-RRFJBIMHSA-N 2 2 288.395 1.484 20 30 CDEDLP N#CCC[NH+]1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277938905 944131835 /nfs/dbraw/zinc/13/18/35/944131835.db2.gz HREBUTFUUZWHLE-UHFFFAOYSA-N 2 2 286.379 1.599 20 30 CDEDLP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CC[NH3+])C2 ZINC001235523843 944185308 /nfs/dbraw/zinc/18/53/08/944185308.db2.gz ZECLRDGMWJDKKD-KBPBESRZSA-N 2 2 254.374 1.019 20 30 CDEDLP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC[NH3+])C2 ZINC001235523843 944185309 /nfs/dbraw/zinc/18/53/09/944185309.db2.gz ZECLRDGMWJDKKD-KBPBESRZSA-N 2 2 254.374 1.019 20 30 CDEDLP N#Cc1cccc2c(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)c[nH]c21 ZINC001235987463 944351512 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HAWHJLYGHWBFLE-BMFZPTHFSA-N 2 2 277.412 1.912 20 30 CDEDLP Cc1[nH+]cc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1C ZINC000596982781 343429853 /nfs/dbraw/zinc/42/98/53/343429853.db2.gz JFDMNMVTKCSSRG-UHFFFAOYSA-N 2 2 295.390 1.922 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000598597057 343840663 /nfs/dbraw/zinc/84/06/63/343840663.db2.gz UXCPMPOGECKDTP-QWHCGFSZSA-N 2 2 276.384 1.890 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000598597057 343840665 /nfs/dbraw/zinc/84/06/65/343840665.db2.gz UXCPMPOGECKDTP-QWHCGFSZSA-N 2 2 276.384 1.890 20 30 CDEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000602672752 344523150 /nfs/dbraw/zinc/52/31/50/344523150.db2.gz HQNYRFQCJPOQKN-KGLIPLIRSA-N 2 2 253.390 1.363 20 30 CDEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000602672752 344523151 /nfs/dbraw/zinc/52/31/51/344523151.db2.gz HQNYRFQCJPOQKN-KGLIPLIRSA-N 2 2 253.390 1.363 20 30 CDEDLP COCC[N@@H+](CCC#N)CCCc1c[nH+]cn1C ZINC000314342345 344912021 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LYWMSLPXXAXRTF-UHFFFAOYSA-N 2 2 285.395 1.992 20 30 CDEDLP CCCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000264125072 362973651 /nfs/dbraw/zinc/97/36/51/362973651.db2.gz WBEOJIGQZACBHT-UHFFFAOYSA-N 2 2 272.356 1.390 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000570082368 363345068 /nfs/dbraw/zinc/34/50/68/363345068.db2.gz YOSWSNJVLWSDED-INIZCTEOSA-N 2 2 258.365 1.083 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000570082368 363345071 /nfs/dbraw/zinc/34/50/71/363345071.db2.gz YOSWSNJVLWSDED-INIZCTEOSA-N 2 2 258.365 1.083 20 30 CDEDLP C#CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277068096 359555160 /nfs/dbraw/zinc/55/51/60/359555160.db2.gz WUTPADPNOQKLDP-DOTOQJQBSA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277068096 359555168 /nfs/dbraw/zinc/55/51/68/359555168.db2.gz WUTPADPNOQKLDP-DOTOQJQBSA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277068096 359555173 /nfs/dbraw/zinc/55/51/73/359555173.db2.gz WUTPADPNOQKLDP-DOTOQJQBSA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277068096 359555179 /nfs/dbraw/zinc/55/51/79/359555179.db2.gz WUTPADPNOQKLDP-DOTOQJQBSA-N 2 2 299.418 1.331 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480011 364995412 /nfs/dbraw/zinc/99/54/12/364995412.db2.gz GSWHVENAVCVYRH-HUUCEWRRSA-N 2 2 279.428 1.459 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480011 364995417 /nfs/dbraw/zinc/99/54/17/364995417.db2.gz GSWHVENAVCVYRH-HUUCEWRRSA-N 2 2 279.428 1.459 20 30 CDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000491275972 261397012 /nfs/dbraw/zinc/39/70/12/261397012.db2.gz HDMLSDIXAXSOKR-INIZCTEOSA-N 2 2 264.413 1.709 20 30 CDEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000491275972 261397013 /nfs/dbraw/zinc/39/70/13/261397013.db2.gz HDMLSDIXAXSOKR-INIZCTEOSA-N 2 2 264.413 1.709 20 30 CDEDLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000328845553 375985288 /nfs/dbraw/zinc/98/52/88/375985288.db2.gz QFMUAOGJYZDCSS-NEPJUHHUSA-N 2 2 264.373 1.792 20 30 CDEDLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000328845553 375985295 /nfs/dbraw/zinc/98/52/95/375985295.db2.gz QFMUAOGJYZDCSS-NEPJUHHUSA-N 2 2 264.373 1.792 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246280478 376601614 /nfs/dbraw/zinc/60/16/14/376601614.db2.gz AWRUEGOEWICOQO-DZGCQCFKSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246280478 376601624 /nfs/dbraw/zinc/60/16/24/376601624.db2.gz AWRUEGOEWICOQO-DZGCQCFKSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246280478 376601635 /nfs/dbraw/zinc/60/16/35/376601635.db2.gz AWRUEGOEWICOQO-DZGCQCFKSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246280478 376601639 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CDEDLP C[C@H]1CN(CC2(C#N)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343709459 378951724 /nfs/dbraw/zinc/95/17/24/378951724.db2.gz KVLRDAZEAGMNEN-AWEZNQCLSA-N 2 2 276.428 1.390 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281310716 195192722 /nfs/dbraw/zinc/19/27/22/195192722.db2.gz KPKBSCKMJMPRDF-INIZCTEOSA-N 2 2 293.455 1.993 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281310716 195192724 /nfs/dbraw/zinc/19/27/24/195192724.db2.gz KPKBSCKMJMPRDF-INIZCTEOSA-N 2 2 293.455 1.993 20 30 CDEDLP CCCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000104154717 390485074 /nfs/dbraw/zinc/48/50/74/390485074.db2.gz VJRSFLMYWATAJT-JTQLQIEISA-N 2 2 254.403 1.665 20 30 CDEDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(C#N)n(C)c1 ZINC000290340017 391162218 /nfs/dbraw/zinc/16/22/18/391162218.db2.gz FIOBOKJZLSYPGY-SWLSCSKDSA-N 2 2 260.385 1.669 20 30 CDEDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(C#N)n(C)c1 ZINC000290340017 391162221 /nfs/dbraw/zinc/16/22/21/391162221.db2.gz FIOBOKJZLSYPGY-SWLSCSKDSA-N 2 2 260.385 1.669 20 30 CDEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000290340017 391162222 /nfs/dbraw/zinc/16/22/22/391162222.db2.gz FIOBOKJZLSYPGY-SWLSCSKDSA-N 2 2 260.385 1.669 20 30 CDEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000290340017 391162225 /nfs/dbraw/zinc/16/22/25/391162225.db2.gz FIOBOKJZLSYPGY-SWLSCSKDSA-N 2 2 260.385 1.669 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123663031 391184215 /nfs/dbraw/zinc/18/42/15/391184215.db2.gz ISEBNEMFDIWUEN-CQSZACIVSA-N 2 2 267.417 1.492 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123663031 391184217 /nfs/dbraw/zinc/18/42/17/391184217.db2.gz ISEBNEMFDIWUEN-CQSZACIVSA-N 2 2 267.417 1.492 20 30 CDEDLP C=CCC[C@H](CO)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000320330706 391277286 /nfs/dbraw/zinc/27/72/86/391277286.db2.gz YMUVOUDMDWJENV-OAHLLOKOSA-N 2 2 275.396 1.967 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354224049 391411574 /nfs/dbraw/zinc/41/15/74/391411574.db2.gz PMTCJRNJCIQRDQ-HOTGVXAUSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354224049 391411581 /nfs/dbraw/zinc/41/15/81/391411581.db2.gz PMTCJRNJCIQRDQ-HOTGVXAUSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354224049 391411584 /nfs/dbraw/zinc/41/15/84/391411584.db2.gz PMTCJRNJCIQRDQ-HOTGVXAUSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354224049 391411590 /nfs/dbraw/zinc/41/15/90/391411590.db2.gz PMTCJRNJCIQRDQ-HOTGVXAUSA-N 2 2 293.455 1.992 20 30 CDEDLP C#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000369692995 391385751 /nfs/dbraw/zinc/38/57/51/391385751.db2.gz LNSVBEXJXCHBDQ-SFHVURJKSA-N 2 2 284.403 1.822 20 30 CDEDLP C#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000369692995 391385755 /nfs/dbraw/zinc/38/57/55/391385755.db2.gz LNSVBEXJXCHBDQ-SFHVURJKSA-N 2 2 284.403 1.822 20 30 CDEDLP Cc1[nH+]c[nH]c1CNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000328928985 391395033 /nfs/dbraw/zinc/39/50/33/391395033.db2.gz GXPGWDOWWLKWES-SNVBAGLBSA-N 2 2 268.386 1.612 20 30 CDEDLP Cc1[nH+]c[nH]c1CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000328928985 391395036 /nfs/dbraw/zinc/39/50/36/391395036.db2.gz GXPGWDOWWLKWES-SNVBAGLBSA-N 2 2 268.386 1.612 20 30 CDEDLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000459395594 392431284 /nfs/dbraw/zinc/43/12/84/392431284.db2.gz UJQHDCUBNCIACY-QGZVFWFLSA-N 2 2 296.374 1.908 20 30 CDEDLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000459395594 392431293 /nfs/dbraw/zinc/43/12/93/392431293.db2.gz UJQHDCUBNCIACY-QGZVFWFLSA-N 2 2 296.374 1.908 20 30 CDEDLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329003332 227254841 /nfs/dbraw/zinc/25/48/41/227254841.db2.gz WOIZWRUPKPHYCD-QWHCGFSZSA-N 2 2 288.395 1.886 20 30 CDEDLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329003332 227254847 /nfs/dbraw/zinc/25/48/47/227254847.db2.gz WOIZWRUPKPHYCD-QWHCGFSZSA-N 2 2 288.395 1.886 20 30 CDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330297570 228105831 /nfs/dbraw/zinc/10/58/31/228105831.db2.gz GZGMUHTXYLLBNI-CHWSQXEVSA-N 2 2 292.383 1.123 20 30 CDEDLP C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000330187656 228059579 /nfs/dbraw/zinc/05/95/79/228059579.db2.gz KOIKNNDYZWPQHY-UKRRQHHQSA-N 2 2 291.399 1.213 20 30 CDEDLP C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000330187656 228059581 /nfs/dbraw/zinc/05/95/81/228059581.db2.gz KOIKNNDYZWPQHY-UKRRQHHQSA-N 2 2 291.399 1.213 20 30 CDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000330187656 228059584 /nfs/dbraw/zinc/05/95/84/228059584.db2.gz KOIKNNDYZWPQHY-UKRRQHHQSA-N 2 2 291.399 1.213 20 30 CDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000330187656 228059586 /nfs/dbraw/zinc/05/95/86/228059586.db2.gz KOIKNNDYZWPQHY-UKRRQHHQSA-N 2 2 291.399 1.213 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)C2)CC1 ZINC000490937650 261257084 /nfs/dbraw/zinc/25/70/84/261257084.db2.gz VMKFEQMWTRCIML-OAHLLOKOSA-N 2 2 291.439 1.132 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)C2)CC1 ZINC000490937650 261257086 /nfs/dbraw/zinc/25/70/86/261257086.db2.gz VMKFEQMWTRCIML-OAHLLOKOSA-N 2 2 291.439 1.132 20 30 CDEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000491275972 261397009 /nfs/dbraw/zinc/39/70/09/261397009.db2.gz HDMLSDIXAXSOKR-INIZCTEOSA-N 2 2 264.413 1.709 20 30 CDEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000491275972 261397010 /nfs/dbraw/zinc/39/70/10/261397010.db2.gz HDMLSDIXAXSOKR-INIZCTEOSA-N 2 2 264.413 1.709 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264153400 262881352 /nfs/dbraw/zinc/88/13/52/262881352.db2.gz ZYGDSESZNOSKRZ-CYBMUJFWSA-N 2 2 264.348 1.519 20 30 CDEDLP C=CCCCCCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653092245 424006297 /nfs/dbraw/zinc/00/62/97/424006297.db2.gz WSSQHEUSZREAAA-ZDUSSCGKSA-N 2 2 255.406 1.470 20 30 CDEDLP C=CC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369437353 267243003 /nfs/dbraw/zinc/24/30/03/267243003.db2.gz WXWUHLWMYNXCNW-UONOGXRCSA-N 2 2 294.443 1.419 20 30 CDEDLP C=CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369437353 267243005 /nfs/dbraw/zinc/24/30/05/267243005.db2.gz WXWUHLWMYNXCNW-UONOGXRCSA-N 2 2 294.443 1.419 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371349093 267393275 /nfs/dbraw/zinc/39/32/75/267393275.db2.gz FQFHAHVLQCVLHB-TZMCWYRMSA-N 2 2 271.836 1.697 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371349093 267393278 /nfs/dbraw/zinc/39/32/78/267393278.db2.gz FQFHAHVLQCVLHB-TZMCWYRMSA-N 2 2 271.836 1.697 20 30 CDEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H](C)O1 ZINC000517232103 326863431 /nfs/dbraw/zinc/86/34/31/326863431.db2.gz WKXDZMNWOGMXCZ-RBGFHDKUSA-N 2 2 295.427 1.128 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCCC)C2CC2)CC1 ZINC000490840916 332119745 /nfs/dbraw/zinc/11/97/45/332119745.db2.gz QEBJGEPDBFCEJC-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCCC)C2CC2)CC1 ZINC000490840916 332119746 /nfs/dbraw/zinc/11/97/46/332119746.db2.gz QEBJGEPDBFCEJC-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491713263 332304237 /nfs/dbraw/zinc/30/42/37/332304237.db2.gz JEPXGOMPKFJSEN-QWHCGFSZSA-N 2 2 289.383 1.143 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491713263 332304238 /nfs/dbraw/zinc/30/42/38/332304238.db2.gz JEPXGOMPKFJSEN-QWHCGFSZSA-N 2 2 289.383 1.143 20 30 CDEDLP C#C[C@H](C)[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491738195 332317982 /nfs/dbraw/zinc/31/79/82/332317982.db2.gz OTCVEEJCHBVQNJ-LSDHHAIUSA-N 2 2 285.391 1.968 20 30 CDEDLP C#C[C@H](C)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491738195 332317983 /nfs/dbraw/zinc/31/79/83/332317983.db2.gz OTCVEEJCHBVQNJ-LSDHHAIUSA-N 2 2 285.391 1.968 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000491776766 332342168 /nfs/dbraw/zinc/34/21/68/332342168.db2.gz COKLNJUZTOFKFC-QGZVFWFLSA-N 2 2 299.418 1.553 20 30 CDEDLP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001752518588 1159818104 /nfs/dbraw/zinc/81/81/04/1159818104.db2.gz VYNWWBKEZQNAAS-CQSZACIVSA-N 2 2 288.395 1.146 20 30 CDEDLP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001752518588 1159818111 /nfs/dbraw/zinc/81/81/11/1159818111.db2.gz VYNWWBKEZQNAAS-CQSZACIVSA-N 2 2 288.395 1.146 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=C)C)[C@@H]1C ZINC001088630847 1160668380 /nfs/dbraw/zinc/66/83/80/1160668380.db2.gz DHPHKGWLZLSMNX-PMPSAXMXSA-N 2 2 289.423 1.239 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=C)C)[C@@H]1C ZINC001088630847 1160668383 /nfs/dbraw/zinc/66/83/83/1160668383.db2.gz DHPHKGWLZLSMNX-PMPSAXMXSA-N 2 2 289.423 1.239 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353540554 526620837 /nfs/dbraw/zinc/62/08/37/526620837.db2.gz DILHOFVLAGJVOG-CQSZACIVSA-N 2 2 293.411 1.724 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353540554 526620841 /nfs/dbraw/zinc/62/08/41/526620841.db2.gz DILHOFVLAGJVOG-CQSZACIVSA-N 2 2 293.411 1.724 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353540554 526620846 /nfs/dbraw/zinc/62/08/46/526620846.db2.gz DILHOFVLAGJVOG-CQSZACIVSA-N 2 2 293.411 1.724 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353540554 526620848 /nfs/dbraw/zinc/62/08/48/526620848.db2.gz DILHOFVLAGJVOG-CQSZACIVSA-N 2 2 293.411 1.724 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480009 527636566 /nfs/dbraw/zinc/63/65/66/527636566.db2.gz GSWHVENAVCVYRH-LSDHHAIUSA-N 2 2 279.428 1.459 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480009 527636574 /nfs/dbraw/zinc/63/65/74/527636574.db2.gz GSWHVENAVCVYRH-LSDHHAIUSA-N 2 2 279.428 1.459 20 30 CDEDLP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329005453 527811861 /nfs/dbraw/zinc/81/18/61/527811861.db2.gz XGRARDXTRLOEQU-OLZOCXBDSA-N 2 2 276.384 1.744 20 30 CDEDLP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329005453 527811865 /nfs/dbraw/zinc/81/18/65/527811865.db2.gz XGRARDXTRLOEQU-OLZOCXBDSA-N 2 2 276.384 1.744 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CC(CC)CC)CC1 ZINC000748818332 576927056 /nfs/dbraw/zinc/92/70/56/576927056.db2.gz UMVVQKVPPJTFLG-UHFFFAOYSA-N 2 2 293.455 1.522 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CC(CC)CC)CC1 ZINC000748818332 576927058 /nfs/dbraw/zinc/92/70/58/576927058.db2.gz UMVVQKVPPJTFLG-UHFFFAOYSA-N 2 2 293.455 1.522 20 30 CDEDLP Cc1ccnc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000755815706 576962915 /nfs/dbraw/zinc/96/29/15/576962915.db2.gz 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CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001044840200 778446133 /nfs/dbraw/zinc/44/61/33/778446133.db2.gz ILKCLQPBZLBHSG-DGCLKSJQSA-N 2 2 276.384 1.416 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000733273966 779266041 /nfs/dbraw/zinc/26/60/41/779266041.db2.gz NCGGSURCCPCZJJ-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000733273966 779266044 /nfs/dbraw/zinc/26/60/44/779266044.db2.gz NCGGSURCCPCZJJ-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000733273966 779266045 /nfs/dbraw/zinc/26/60/45/779266045.db2.gz NCGGSURCCPCZJJ-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000733273966 779266046 /nfs/dbraw/zinc/26/60/46/779266046.db2.gz NCGGSURCCPCZJJ-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049927312 779363319 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N#Cc1cc(F)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206174962 911977286 /nfs/dbraw/zinc/97/72/86/911977286.db2.gz QNLWTTIXMMEBOE-ZIAGYGMSSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206174962 911977298 /nfs/dbraw/zinc/97/72/98/911977298.db2.gz QNLWTTIXMMEBOE-ZIAGYGMSSA-N 2 2 265.307 1.959 20 30 CDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001098285941 918218912 /nfs/dbraw/zinc/21/89/12/918218912.db2.gz VGYMAUOXOWSCGE-YUELXQCFSA-N 2 2 288.395 1.558 20 30 CDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001098285941 918218925 /nfs/dbraw/zinc/21/89/25/918218925.db2.gz VGYMAUOXOWSCGE-YUELXQCFSA-N 2 2 288.395 1.558 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183402432 918476243 /nfs/dbraw/zinc/47/62/43/918476243.db2.gz IRIUASGMNGVLLE-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001183402432 918476248 /nfs/dbraw/zinc/47/62/48/918476248.db2.gz IRIUASGMNGVLLE-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185380744 919563438 /nfs/dbraw/zinc/56/34/38/919563438.db2.gz MPHUNGJPBHMBJN-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187523407 920568527 /nfs/dbraw/zinc/56/85/27/920568527.db2.gz ZURYHGSKQFBJBA-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967353 922668364 /nfs/dbraw/zinc/66/83/64/922668364.db2.gz NCQCGALGWGKEQW-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967353 922668372 /nfs/dbraw/zinc/66/83/72/922668372.db2.gz NCQCGALGWGKEQW-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193468132 923704612 /nfs/dbraw/zinc/70/46/12/923704612.db2.gz BDQIWTSWBDPDKD-ZDUSSCGKSA-N 2 2 290.411 1.796 20 30 CDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193468132 923704616 /nfs/dbraw/zinc/70/46/16/923704616.db2.gz BDQIWTSWBDPDKD-ZDUSSCGKSA-N 2 2 290.411 1.796 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079726256 924413934 /nfs/dbraw/zinc/41/39/34/924413934.db2.gz KXBCZMYMCCHIQD-FMKGYKFTSA-N 2 2 299.846 1.516 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079726256 924413938 /nfs/dbraw/zinc/41/39/38/924413938.db2.gz KXBCZMYMCCHIQD-FMKGYKFTSA-N 2 2 299.846 1.516 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079726256 924413943 /nfs/dbraw/zinc/41/39/43/924413943.db2.gz KXBCZMYMCCHIQD-FMKGYKFTSA-N 2 2 299.846 1.516 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079726256 924413949 /nfs/dbraw/zinc/41/39/49/924413949.db2.gz KXBCZMYMCCHIQD-FMKGYKFTSA-N 2 2 299.846 1.516 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368441 925404878 /nfs/dbraw/zinc/40/48/78/925404878.db2.gz WHHBQQROIWKLDA-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368441 925404881 /nfs/dbraw/zinc/40/48/81/925404881.db2.gz WHHBQQROIWKLDA-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001149829629 937207527 /nfs/dbraw/zinc/20/75/27/937207527.db2.gz NSQWCZNLNDWJRH-AWEZNQCLSA-N 2 2 290.411 1.319 20 30 CDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001115170510 937332678 /nfs/dbraw/zinc/33/26/78/937332678.db2.gz SYIMWYJMJYKGIT-VIKVFOODSA-N 2 2 288.395 1.273 20 30 CDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001115170510 937332680 /nfs/dbraw/zinc/33/26/80/937332680.db2.gz SYIMWYJMJYKGIT-VIKVFOODSA-N 2 2 288.395 1.273 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031472 930611723 /nfs/dbraw/zinc/61/17/23/930611723.db2.gz LPDXVSRHDMRHNP-QWRGUYRKSA-N 2 2 264.373 1.320 20 30 CDEDLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCCCS)c2)C1 ZINC001171002950 931239965 /nfs/dbraw/zinc/23/99/65/931239965.db2.gz DTBULEYELZTADD-CYBMUJFWSA-N 2 2 265.426 1.951 20 30 CDEDLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCCCS)c2)C1 ZINC001171002950 931239972 /nfs/dbraw/zinc/23/99/72/931239972.db2.gz DTBULEYELZTADD-CYBMUJFWSA-N 2 2 265.426 1.951 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154093421 937502129 /nfs/dbraw/zinc/50/21/29/937502129.db2.gz ZSRQWQIWNNYEMC-KGLIPLIRSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154093421 937502131 /nfs/dbraw/zinc/50/21/31/937502131.db2.gz ZSRQWQIWNNYEMC-KGLIPLIRSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CCCC[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274962152 931616577 /nfs/dbraw/zinc/61/65/77/931616577.db2.gz HPPYDJWHXMSOSP-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP C=CCCC[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274962152 931616581 /nfs/dbraw/zinc/61/65/81/931616581.db2.gz HPPYDJWHXMSOSP-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP C=CCCC[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274962152 931616583 /nfs/dbraw/zinc/61/65/83/931616583.db2.gz HPPYDJWHXMSOSP-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP C=CCCC[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274962152 931616586 /nfs/dbraw/zinc/61/65/86/931616586.db2.gz HPPYDJWHXMSOSP-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP Cc1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1C#N ZINC001155057594 937628970 /nfs/dbraw/zinc/62/89/70/937628970.db2.gz LBWVODCMTYQXHC-UHFFFAOYSA-N 2 2 267.336 1.914 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091896781 932895531 /nfs/dbraw/zinc/89/55/31/932895531.db2.gz YTMOAYCEQOYWFB-ZBFHGGJFSA-N 2 2 288.395 1.240 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091896781 932895538 /nfs/dbraw/zinc/89/55/38/932895538.db2.gz YTMOAYCEQOYWFB-ZBFHGGJFSA-N 2 2 288.395 1.240 20 30 CDEDLP N#Cc1cccc(NC(=O)CC[NH2+]CC[NH+]2CCCC2)c1 ZINC001120466346 937800768 /nfs/dbraw/zinc/80/07/68/937800768.db2.gz CMQNOVYXUFUMLI-UHFFFAOYSA-N 2 2 286.379 1.572 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114901894 935315625 /nfs/dbraw/zinc/31/56/25/935315625.db2.gz STJMPRPUAZVRGV-TTZDDIAXSA-N 2 2 288.395 1.457 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114901894 935315632 /nfs/dbraw/zinc/31/56/32/935315632.db2.gz STJMPRPUAZVRGV-TTZDDIAXSA-N 2 2 288.395 1.457 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001121908575 937889143 /nfs/dbraw/zinc/88/91/43/937889143.db2.gz ADBNGZWZOFILTO-NEPJUHHUSA-N 2 2 250.346 1.071 20 30 CDEDLP C=CCOC(=O)N1CCCC2(CC[NH+](C[C@@H](C)[NH3+])CC2)C1 ZINC001204848818 939799424 /nfs/dbraw/zinc/79/94/24/939799424.db2.gz UVNTXASCEJSSEF-CQSZACIVSA-N 2 2 295.427 1.834 20 30 CDEDLP N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205681767 939918388 /nfs/dbraw/zinc/91/83/88/939918388.db2.gz NNVKKWDRBKOFCG-OAHLLOKOSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205681767 939918389 /nfs/dbraw/zinc/91/83/89/939918389.db2.gz NNVKKWDRBKOFCG-OAHLLOKOSA-N 2 2 277.343 1.373 20 30 CDEDLP O=C1C=C2C[N@@H+](CC3CC[NH2+]CC3)CC[C@@H]2S1 ZINC001207435919 940195984 /nfs/dbraw/zinc/19/59/84/940195984.db2.gz OBCDKZQABCTQJK-LBPRGKRZSA-N 2 2 252.383 1.260 20 30 CDEDLP O=C1C=C2C[N@H+](CC3CC[NH2+]CC3)CC[C@@H]2S1 ZINC001207435919 940195987 /nfs/dbraw/zinc/19/59/87/940195987.db2.gz OBCDKZQABCTQJK-LBPRGKRZSA-N 2 2 252.383 1.260 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208298870 940316438 /nfs/dbraw/zinc/31/64/38/940316438.db2.gz CJBGGSBAQRGNFD-OAHLLOKOSA-N 2 2 290.411 1.889 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208298870 940316439 /nfs/dbraw/zinc/31/64/39/940316439.db2.gz CJBGGSBAQRGNFD-OAHLLOKOSA-N 2 2 290.411 1.889 20 30 CDEDLP C#CCCC[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001209264224 940454214 /nfs/dbraw/zinc/45/42/14/940454214.db2.gz XWOGLSXYSVDIDQ-QGZVFWFLSA-N 2 2 294.439 1.461 20 30 CDEDLP C#CCCC[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001209264224 940454216 /nfs/dbraw/zinc/45/42/16/940454216.db2.gz XWOGLSXYSVDIDQ-QGZVFWFLSA-N 2 2 294.439 1.461 20 30 CDEDLP C#CCCC[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001209264224 940454217 /nfs/dbraw/zinc/45/42/17/940454217.db2.gz XWOGLSXYSVDIDQ-QGZVFWFLSA-N 2 2 294.439 1.461 20 30 CDEDLP C#CCCC[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001209264224 940454218 /nfs/dbraw/zinc/45/42/18/940454218.db2.gz XWOGLSXYSVDIDQ-QGZVFWFLSA-N 2 2 294.439 1.461 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209327157 940461657 /nfs/dbraw/zinc/46/16/57/940461657.db2.gz DHAWPFBIRBPWGN-YRGRVCCFSA-N 2 2 276.384 1.211 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209327157 940461658 /nfs/dbraw/zinc/46/16/58/940461658.db2.gz DHAWPFBIRBPWGN-YRGRVCCFSA-N 2 2 276.384 1.211 20 30 CDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccn1 ZINC001276687383 940702519 /nfs/dbraw/zinc/70/25/19/940702519.db2.gz CPILHJKKIOJWHT-CALCHBBNSA-N 2 2 299.422 1.163 20 30 CDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccn1 ZINC001276687383 940702520 /nfs/dbraw/zinc/70/25/20/940702520.db2.gz CPILHJKKIOJWHT-CALCHBBNSA-N 2 2 299.422 1.163 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696457 942051801 /nfs/dbraw/zinc/05/18/01/942051801.db2.gz IBPYFAHFXDGTRI-HUUCEWRRSA-N 2 2 288.395 1.383 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696457 942051805 /nfs/dbraw/zinc/05/18/05/942051805.db2.gz IBPYFAHFXDGTRI-HUUCEWRRSA-N 2 2 288.395 1.383 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839935 942236578 /nfs/dbraw/zinc/23/65/78/942236578.db2.gz PHGLCAGJUISBAG-HUUCEWRRSA-N 2 2 290.411 1.866 20 30 CDEDLP C=CCCC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001230035514 942576220 /nfs/dbraw/zinc/57/62/20/942576220.db2.gz WKPJEVIGOVWICT-UHFFFAOYSA-N 2 2 290.411 1.509 20 30 CDEDLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001232677641 943360600 /nfs/dbraw/zinc/36/06/00/943360600.db2.gz HHDLIHPHBACTCE-UHFFFAOYSA-N 2 2 271.364 1.791 20 30 CDEDLP C=CCOc1ccccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053849 944026984 /nfs/dbraw/zinc/02/69/84/944026984.db2.gz LRCBPYQCHHQKIJ-KRWDZBQOSA-N 2 2 287.407 1.389 20 30 CDEDLP C=CCOc1ccccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053849 944026989 /nfs/dbraw/zinc/02/69/89/944026989.db2.gz LRCBPYQCHHQKIJ-KRWDZBQOSA-N 2 2 287.407 1.389 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001235053847 944027734 /nfs/dbraw/zinc/02/77/34/944027734.db2.gz LPOIOFLFVIBCJO-KRWDZBQOSA-N 2 2 295.390 1.177 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001235053847 944027743 /nfs/dbraw/zinc/02/77/43/944027743.db2.gz LPOIOFLFVIBCJO-KRWDZBQOSA-N 2 2 295.390 1.177 20 30 CDEDLP N#Cc1cccc2c(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)c[nH]c21 ZINC001235055262 944030254 /nfs/dbraw/zinc/03/02/54/944030254.db2.gz UIWXFMUOWIIJBE-KRWDZBQOSA-N 2 2 295.390 1.177 20 30 CDEDLP N#Cc1cccc2c(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)c[nH]c21 ZINC001235055262 944030262 /nfs/dbraw/zinc/03/02/62/944030262.db2.gz UIWXFMUOWIIJBE-KRWDZBQOSA-N 2 2 295.390 1.177 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256915371 948456454 /nfs/dbraw/zinc/45/64/54/948456454.db2.gz VHGTYTWPRMFFAY-GJZGRUSLSA-N 2 2 262.401 1.191 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256915371 948456458 /nfs/dbraw/zinc/45/64/58/948456458.db2.gz VHGTYTWPRMFFAY-GJZGRUSLSA-N 2 2 262.401 1.191 20 30 CDEDLP C#CC[NH+]1CCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256922617 948458573 /nfs/dbraw/zinc/45/85/73/948458573.db2.gz MIGBGZOJYSCCKD-QGZVFWFLSA-N 2 2 275.440 1.644 20 30 CDEDLP C#CC[NH+]1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256922617 948458576 /nfs/dbraw/zinc/45/85/76/948458576.db2.gz MIGBGZOJYSCCKD-QGZVFWFLSA-N 2 2 275.440 1.644 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001253205200 951802557 /nfs/dbraw/zinc/80/25/57/951802557.db2.gz ABNZSHJZOMVACR-XJKSGUPXSA-N 2 2 275.396 1.912 20 30 CDEDLP C#Cc1ccc(C[NH2+]C[C@@H](O)C[NH+](CC)CC)cc1 ZINC001253207823 951804578 /nfs/dbraw/zinc/80/45/78/951804578.db2.gz KPQOHPPKWPOLMO-MRXNPFEDSA-N 2 2 260.381 1.460 20 30 CDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC3CC3)cc2F)CC1 ZINC001325379264 953870200 /nfs/dbraw/zinc/87/02/00/953870200.db2.gz XAQXPNLQKOMGCX-UHFFFAOYSA-N 2 2 276.359 1.663 20 30 CDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001318897288 958293870 /nfs/dbraw/zinc/29/38/70/958293870.db2.gz MSKCUUSKQXRMBI-ZDUSSCGKSA-N 2 2 274.368 1.048 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376350381 974636000 /nfs/dbraw/zinc/63/60/00/974636000.db2.gz RYIYNINLNIXYOV-VXGBXAGGSA-N 2 2 296.802 1.531 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401777764 975897355 /nfs/dbraw/zinc/89/73/55/975897355.db2.gz HHKRQBYMJAUANK-GFCCVEGCSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401777764 975897362 /nfs/dbraw/zinc/89/73/62/975897362.db2.gz HHKRQBYMJAUANK-GFCCVEGCSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391314865 976807751 /nfs/dbraw/zinc/80/77/51/976807751.db2.gz FYRRGJZSYSHWTE-LBPRGKRZSA-N 2 2 296.802 1.533 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391314865 976807759 /nfs/dbraw/zinc/80/77/59/976807759.db2.gz FYRRGJZSYSHWTE-LBPRGKRZSA-N 2 2 296.802 1.533 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391314861 976807795 /nfs/dbraw/zinc/80/77/95/976807795.db2.gz FYRRGJZSYSHWTE-GFCCVEGCSA-N 2 2 296.802 1.533 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391314861 976807805 /nfs/dbraw/zinc/80/78/05/976807805.db2.gz FYRRGJZSYSHWTE-GFCCVEGCSA-N 2 2 296.802 1.533 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132874081 1163498341 /nfs/dbraw/zinc/49/83/41/1163498341.db2.gz DKRJRRKXUPTHFS-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132874081 1163498342 /nfs/dbraw/zinc/49/83/42/1163498342.db2.gz DKRJRRKXUPTHFS-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000590167143 342523823 /nfs/dbraw/zinc/52/38/23/342523823.db2.gz YUYOFKPSSAIYEZ-VHDGCEQUSA-N 2 2 290.411 1.093 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000590167143 342523824 /nfs/dbraw/zinc/52/38/24/342523824.db2.gz YUYOFKPSSAIYEZ-VHDGCEQUSA-N 2 2 290.411 1.093 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000353314078 539097430 /nfs/dbraw/zinc/09/74/30/539097430.db2.gz KIZOKEWHXUGISA-UHFFFAOYSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000353314078 539097431 /nfs/dbraw/zinc/09/74/31/539097431.db2.gz KIZOKEWHXUGISA-UHFFFAOYSA-N 2 2 262.357 1.109 20 30 CDEDLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCSC1 ZINC000442765957 362088131 /nfs/dbraw/zinc/08/81/31/362088131.db2.gz KHHZALSZDQJTTE-UPJWGTAASA-N 2 2 253.415 1.706 20 30 CDEDLP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1C#N ZINC000598717530 343882086 /nfs/dbraw/zinc/88/20/86/343882086.db2.gz GQNIDRPAVLNHDV-GOEBONIOSA-N 2 2 271.364 1.880 20 30 CDEDLP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1C#N ZINC000598717530 343882088 /nfs/dbraw/zinc/88/20/88/343882088.db2.gz GQNIDRPAVLNHDV-GOEBONIOSA-N 2 2 271.364 1.880 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331491713 362277383 /nfs/dbraw/zinc/27/73/83/362277383.db2.gz ASMATGRKDPCMDC-GOEBONIOSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331491713 362277387 /nfs/dbraw/zinc/27/73/87/362277387.db2.gz ASMATGRKDPCMDC-GOEBONIOSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331491713 362277391 /nfs/dbraw/zinc/27/73/91/362277391.db2.gz ASMATGRKDPCMDC-GOEBONIOSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331491713 362277394 /nfs/dbraw/zinc/27/73/94/362277394.db2.gz ASMATGRKDPCMDC-GOEBONIOSA-N 2 2 292.427 1.165 20 30 CDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1ccccn1 ZINC000263234923 362367379 /nfs/dbraw/zinc/36/73/79/362367379.db2.gz JCYBQTLMQHPHNK-UHFFFAOYSA-N 2 2 298.394 1.480 20 30 CDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCc2ccccc21 ZINC000263272703 362418627 /nfs/dbraw/zinc/41/86/27/362418627.db2.gz XJGGUVRQZHFYSL-UHFFFAOYSA-N 2 2 269.352 1.521 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nnn2CC)CC1 ZINC000449119607 362626379 /nfs/dbraw/zinc/62/63/79/362626379.db2.gz AHVNNYULAUNYLV-UHFFFAOYSA-N 2 2 277.416 1.737 20 30 CDEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000449386654 362680243 /nfs/dbraw/zinc/68/02/43/362680243.db2.gz JARFEXNEEONYAM-ILXRZTDVSA-N 2 2 265.401 1.505 20 30 CDEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000449386654 362680247 /nfs/dbraw/zinc/68/02/47/362680247.db2.gz JARFEXNEEONYAM-ILXRZTDVSA-N 2 2 265.401 1.505 20 30 CDEDLP C[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271883246 191387487 /nfs/dbraw/zinc/38/74/87/191387487.db2.gz PUFYQGHGIGQNAQ-CQSZACIVSA-N 2 2 287.407 1.883 20 30 CDEDLP C#CCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365286524 359258122 /nfs/dbraw/zinc/25/81/22/359258122.db2.gz NYWPWPGQSHYAMK-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365286524 359258126 /nfs/dbraw/zinc/25/81/26/359258126.db2.gz NYWPWPGQSHYAMK-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C1=O ZINC000337196971 360019634 /nfs/dbraw/zinc/01/96/34/360019634.db2.gz WSYAOZVEUFHUAH-ILXRZTDVSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C1=O ZINC000337196971 360019638 /nfs/dbraw/zinc/01/96/38/360019638.db2.gz WSYAOZVEUFHUAH-ILXRZTDVSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)C1=O ZINC000337196971 360019641 /nfs/dbraw/zinc/01/96/41/360019641.db2.gz WSYAOZVEUFHUAH-ILXRZTDVSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)C1=O ZINC000337196971 360019646 /nfs/dbraw/zinc/01/96/46/360019646.db2.gz WSYAOZVEUFHUAH-ILXRZTDVSA-N 2 2 279.428 1.578 20 30 CDEDLP C[C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1C1CC1 ZINC000329321266 361478563 /nfs/dbraw/zinc/47/85/63/361478563.db2.gz FDPJAGDZTPLPOQ-MNOVXSKESA-N 2 2 262.357 1.924 20 30 CDEDLP C[C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1C1CC1 ZINC000329321266 361478565 /nfs/dbraw/zinc/47/85/65/361478565.db2.gz FDPJAGDZTPLPOQ-MNOVXSKESA-N 2 2 262.357 1.924 20 30 CDEDLP CC1(C)COCC[N@@H+]1CCNC(=[NH2+])Nc1ccccc1 ZINC000171413323 365276350 /nfs/dbraw/zinc/27/63/50/365276350.db2.gz KWISSWCHJJAFEH-UHFFFAOYSA-N 2 2 276.384 1.524 20 30 CDEDLP CC1(C)COCC[N@H+]1CCNC(=[NH2+])Nc1ccccc1 ZINC000171413323 365276355 /nfs/dbraw/zinc/27/63/55/365276355.db2.gz KWISSWCHJJAFEH-UHFFFAOYSA-N 2 2 276.384 1.524 20 30 CDEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000330884319 203351247 /nfs/dbraw/zinc/35/12/47/203351247.db2.gz PNSDMYXTACUIKM-DOMZBBRYSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000330884319 203351250 /nfs/dbraw/zinc/35/12/50/203351250.db2.gz PNSDMYXTACUIKM-DOMZBBRYSA-N 2 2 259.353 1.275 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173909580 372546252 /nfs/dbraw/zinc/54/62/52/372546252.db2.gz NSJDFMOBYYFWLE-OAHLLOKOSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173909580 372546257 /nfs/dbraw/zinc/54/62/57/372546257.db2.gz NSJDFMOBYYFWLE-OAHLLOKOSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173909580 372546264 /nfs/dbraw/zinc/54/62/64/372546264.db2.gz NSJDFMOBYYFWLE-OAHLLOKOSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173909580 372546267 /nfs/dbraw/zinc/54/62/67/372546267.db2.gz NSJDFMOBYYFWLE-OAHLLOKOSA-N 2 2 279.428 1.461 20 30 CDEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000331108369 374890545 /nfs/dbraw/zinc/89/05/45/374890545.db2.gz RUAVRKPZJUWADI-INIZCTEOSA-N 2 2 290.411 1.079 20 30 CDEDLP C[N@H+](Cc1cc(C#N)cs1)C1CC[NH+](CCO)CC1 ZINC000353360623 375300911 /nfs/dbraw/zinc/30/09/11/375300911.db2.gz JIYKWXCDWDMHOR-UHFFFAOYSA-N 2 2 279.409 1.508 20 30 CDEDLP C[N@@H+](Cc1cc(C#N)cs1)C1CC[NH+](CCO)CC1 ZINC000353360623 375300914 /nfs/dbraw/zinc/30/09/14/375300914.db2.gz JIYKWXCDWDMHOR-UHFFFAOYSA-N 2 2 279.409 1.508 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133471531 375569673 /nfs/dbraw/zinc/56/96/73/375569673.db2.gz HJEPVSVOEPEKBR-QGZVFWFLSA-N 2 2 298.434 1.549 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133471531 375569680 /nfs/dbraw/zinc/56/96/80/375569680.db2.gz HJEPVSVOEPEKBR-QGZVFWFLSA-N 2 2 298.434 1.549 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC3(C#N)CC3)C2)CC1 ZINC000343322644 378456982 /nfs/dbraw/zinc/45/69/82/378456982.db2.gz RLOZSVQKBGUPBI-AWEZNQCLSA-N 2 2 262.401 1.002 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC3(C#N)CC3)C2)CC1 ZINC000343322644 378456993 /nfs/dbraw/zinc/45/69/93/378456993.db2.gz RLOZSVQKBGUPBI-AWEZNQCLSA-N 2 2 262.401 1.002 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000491475299 391141768 /nfs/dbraw/zinc/14/17/68/391141768.db2.gz VLWJFYJKGXACDT-QLPKVWCKSA-N 2 2 291.439 1.178 20 30 CDEDLP Cc1[nH+]c[nH]c1CNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000328928984 391394836 /nfs/dbraw/zinc/39/48/36/391394836.db2.gz GXPGWDOWWLKWES-JTQLQIEISA-N 2 2 268.386 1.612 20 30 CDEDLP Cc1[nH+]c[nH]c1CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000328928984 391394840 /nfs/dbraw/zinc/39/48/40/391394840.db2.gz GXPGWDOWWLKWES-JTQLQIEISA-N 2 2 268.386 1.612 20 30 CDEDLP C=CCNC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000261907034 391727749 /nfs/dbraw/zinc/72/77/49/391727749.db2.gz XERGOPKVYSRSIF-UHFFFAOYSA-N 2 2 264.398 1.197 20 30 CDEDLP C=CCNC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000261907034 391727753 /nfs/dbraw/zinc/72/77/53/391727753.db2.gz XERGOPKVYSRSIF-UHFFFAOYSA-N 2 2 264.398 1.197 20 30 CDEDLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000329734162 391766161 /nfs/dbraw/zinc/76/61/61/391766161.db2.gz RFZTVMQTSICKRF-CQSZACIVSA-N 2 2 292.383 1.520 20 30 CDEDLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000329734162 391766167 /nfs/dbraw/zinc/76/61/67/391766167.db2.gz RFZTVMQTSICKRF-CQSZACIVSA-N 2 2 292.383 1.520 20 30 CDEDLP C[C@@H](CNC1=[NH+]CCN1C)[N@@H+]1CCc2sccc2C1 ZINC000262478575 391791659 /nfs/dbraw/zinc/79/16/59/391791659.db2.gz CQIRPFHWUVJPDM-NSHDSACASA-N 2 2 278.425 1.386 20 30 CDEDLP C[C@@H](CNC1=[NH+]CCN1C)[N@H+]1CCc2sccc2C1 ZINC000262478575 391791666 /nfs/dbraw/zinc/79/16/66/391791666.db2.gz CQIRPFHWUVJPDM-NSHDSACASA-N 2 2 278.425 1.386 20 30 CDEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)COC ZINC000661240375 413913643 /nfs/dbraw/zinc/91/36/43/413913643.db2.gz NSCPQSLKLZJMIT-KGLIPLIRSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)COC ZINC000661240375 413913648 /nfs/dbraw/zinc/91/36/48/413913648.db2.gz NSCPQSLKLZJMIT-KGLIPLIRSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)COC ZINC000661240375 413913654 /nfs/dbraw/zinc/91/36/54/413913654.db2.gz NSCPQSLKLZJMIT-KGLIPLIRSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)COC ZINC000661240375 413913660 /nfs/dbraw/zinc/91/36/60/413913660.db2.gz NSCPQSLKLZJMIT-KGLIPLIRSA-N 2 2 258.406 1.210 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331934172 262616126 /nfs/dbraw/zinc/61/61/26/262616126.db2.gz HTTMZKILBFSION-LSDHHAIUSA-N 2 2 294.443 1.411 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331934172 262616128 /nfs/dbraw/zinc/61/61/28/262616128.db2.gz HTTMZKILBFSION-LSDHHAIUSA-N 2 2 294.443 1.411 20 30 CDEDLP CC(C)CNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264095906 262869920 /nfs/dbraw/zinc/86/99/20/262869920.db2.gz MOCVSNBACGUMKY-LBPRGKRZSA-N 2 2 268.430 1.911 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000653547957 424262874 /nfs/dbraw/zinc/26/28/74/424262874.db2.gz GHQSSZRVDDFZOF-HNNXBMFYSA-N 2 2 286.383 1.888 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000653547957 424262885 /nfs/dbraw/zinc/26/28/85/424262885.db2.gz GHQSSZRVDDFZOF-HNNXBMFYSA-N 2 2 286.383 1.888 20 30 CDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655773237 424547771 /nfs/dbraw/zinc/54/77/71/424547771.db2.gz YVVSHSIRGWFVNS-KFWWJZLASA-N 2 2 266.385 1.173 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC000107370083 276201091 /nfs/dbraw/zinc/20/10/91/276201091.db2.gz XEGBHFIMHLUDSO-SFHVURJKSA-N 2 2 298.434 1.770 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000107370083 276201093 /nfs/dbraw/zinc/20/10/93/276201093.db2.gz XEGBHFIMHLUDSO-SFHVURJKSA-N 2 2 298.434 1.770 20 30 CDEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329847859 279300324 /nfs/dbraw/zinc/30/03/24/279300324.db2.gz PLRZZWNRHUPJML-CYBMUJFWSA-N 2 2 291.399 1.487 20 30 CDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000577729877 317390860 /nfs/dbraw/zinc/39/08/60/317390860.db2.gz DTHWPZCUGZQTEF-XHDPSFHLSA-N 2 2 296.378 1.173 20 30 CDEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000577729877 317390863 /nfs/dbraw/zinc/39/08/63/317390863.db2.gz DTHWPZCUGZQTEF-XHDPSFHLSA-N 2 2 296.378 1.173 20 30 CDEDLP CNC(=[NH2+])NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287275282 328250543 /nfs/dbraw/zinc/25/05/43/328250543.db2.gz RFBAEXIDSIIFAW-CQSZACIVSA-N 2 2 278.400 1.611 20 30 CDEDLP NC(=[NH+]OCCO)c1cccc(C[NH+]2CCCCC2)c1 ZINC000111997738 327283385 /nfs/dbraw/zinc/28/33/85/327283385.db2.gz MGMXURVEBVDJDK-UHFFFAOYSA-N 2 2 277.368 1.302 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422863545 330158133 /nfs/dbraw/zinc/15/81/33/330158133.db2.gz RXPMSRJOATXXIL-ZFWWWQNUSA-N 3 2 251.418 1.744 20 30 CDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)nn1 ZINC000424294961 330335911 /nfs/dbraw/zinc/33/59/11/330335911.db2.gz MAQWJUWMFXSFQF-OCCSQVGLSA-N 2 2 263.389 1.284 20 30 CDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)nn1 ZINC000424294961 330335912 /nfs/dbraw/zinc/33/59/12/330335912.db2.gz MAQWJUWMFXSFQF-OCCSQVGLSA-N 2 2 263.389 1.284 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000490759750 332113017 /nfs/dbraw/zinc/11/30/17/332113017.db2.gz GCJLKBADFDGSCG-HOTGVXAUSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000490759750 332113018 /nfs/dbraw/zinc/11/30/18/332113018.db2.gz GCJLKBADFDGSCG-HOTGVXAUSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000490759752 332113098 /nfs/dbraw/zinc/11/30/98/332113098.db2.gz GCJLKBADFDGSCG-JKSUJKDBSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000490759752 332113099 /nfs/dbraw/zinc/11/30/99/332113099.db2.gz GCJLKBADFDGSCG-JKSUJKDBSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000491382996 332201442 /nfs/dbraw/zinc/20/14/42/332201442.db2.gz KFZZUGVGMDNRCY-HOTGVXAUSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000491382996 332201443 /nfs/dbraw/zinc/20/14/43/332201443.db2.gz KFZZUGVGMDNRCY-HOTGVXAUSA-N 2 2 289.423 1.028 20 30 CDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H](C)C#N)c2cc1C ZINC000517732874 333106835 /nfs/dbraw/zinc/10/68/35/333106835.db2.gz QWOKFIBWPGAFRW-FZMZJTMJSA-N 2 2 286.379 1.763 20 30 CDEDLP C=CC[C@H](CC)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576220824 335172341 /nfs/dbraw/zinc/17/23/41/335172341.db2.gz AGSTZMPUHVCUCV-KBXIAJHMSA-N 2 2 270.417 1.401 20 30 CDEDLP C=C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674934002 482438665 /nfs/dbraw/zinc/43/86/65/482438665.db2.gz OMKZPKSLPCAOIM-OLZOCXBDSA-N 2 2 280.416 1.029 20 30 CDEDLP C=C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674934002 482438666 /nfs/dbraw/zinc/43/86/66/482438666.db2.gz OMKZPKSLPCAOIM-OLZOCXBDSA-N 2 2 280.416 1.029 20 30 CDEDLP C=C(C)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458603681 526452760 /nfs/dbraw/zinc/45/27/60/526452760.db2.gz UYJZLDLGZOVCIS-UHFFFAOYSA-N 2 2 282.432 1.278 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516538 526525462 /nfs/dbraw/zinc/52/54/62/526525462.db2.gz LKJRJTPPHSFTSC-CQSZACIVSA-N 2 2 267.417 1.295 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516538 526525465 /nfs/dbraw/zinc/52/54/65/526525465.db2.gz LKJRJTPPHSFTSC-CQSZACIVSA-N 2 2 267.417 1.295 20 30 CDEDLP CC[N@@H+]1CCC[C@@H]1CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330279694 529059458 /nfs/dbraw/zinc/05/94/58/529059458.db2.gz RLCIPNFQVWZGPE-QWHCGFSZSA-N 2 2 291.399 1.186 20 30 CDEDLP CC[N@H+]1CCC[C@@H]1CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330279694 529059460 /nfs/dbraw/zinc/05/94/60/529059460.db2.gz RLCIPNFQVWZGPE-QWHCGFSZSA-N 2 2 291.399 1.186 20 30 CDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330279694 529059464 /nfs/dbraw/zinc/05/94/64/529059464.db2.gz RLCIPNFQVWZGPE-QWHCGFSZSA-N 2 2 291.399 1.186 20 30 CDEDLP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330279694 529059465 /nfs/dbraw/zinc/05/94/65/529059465.db2.gz RLCIPNFQVWZGPE-QWHCGFSZSA-N 2 2 291.399 1.186 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000730282303 574909865 /nfs/dbraw/zinc/90/98/65/574909865.db2.gz FWCPOVDDWZJINJ-KBPBESRZSA-N 2 2 286.379 1.213 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000730282303 574909867 /nfs/dbraw/zinc/90/98/67/574909867.db2.gz FWCPOVDDWZJINJ-KBPBESRZSA-N 2 2 286.379 1.213 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000136911387 1175013926 /nfs/dbraw/zinc/01/39/26/1175013926.db2.gz HFWSPHDPCZHGJM-GFCCVEGCSA-N 2 2 253.390 1.080 20 30 CDEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960565933 613045042 /nfs/dbraw/zinc/04/50/42/613045042.db2.gz HDOFWYZSBFIQAC-VIKVFOODSA-N 2 2 294.358 1.246 20 30 CDEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960565933 613045043 /nfs/dbraw/zinc/04/50/43/613045043.db2.gz HDOFWYZSBFIQAC-VIKVFOODSA-N 2 2 294.358 1.246 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC)C1 ZINC000950534098 613194243 /nfs/dbraw/zinc/19/42/43/613194243.db2.gz RWAPIWXEIPAGAV-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC)C1 ZINC000950534098 613194244 /nfs/dbraw/zinc/19/42/44/613194244.db2.gz RWAPIWXEIPAGAV-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971429409 613283599 /nfs/dbraw/zinc/28/35/99/613283599.db2.gz LMXBPDJNZCSTBH-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971429409 613283600 /nfs/dbraw/zinc/28/36/00/613283600.db2.gz LMXBPDJNZCSTBH-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617693 613284260 /nfs/dbraw/zinc/28/42/60/613284260.db2.gz FCHXEZZPIUXUFO-GFCCVEGCSA-N 2 2 262.357 1.061 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617693 613284262 /nfs/dbraw/zinc/28/42/62/613284262.db2.gz FCHXEZZPIUXUFO-GFCCVEGCSA-N 2 2 262.357 1.061 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000951368850 613295381 /nfs/dbraw/zinc/29/53/81/613295381.db2.gz MODMYJOTZYJVQC-GJZGRUSLSA-N 2 2 293.455 1.826 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000951368850 613295382 /nfs/dbraw/zinc/29/53/82/613295382.db2.gz MODMYJOTZYJVQC-GJZGRUSLSA-N 2 2 293.455 1.826 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970868966 613372192 /nfs/dbraw/zinc/37/21/92/613372192.db2.gz OTMNIXZOFVQYMI-RYUDHWBXSA-N 2 2 285.819 1.127 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970868966 613372193 /nfs/dbraw/zinc/37/21/93/613372193.db2.gz OTMNIXZOFVQYMI-RYUDHWBXSA-N 2 2 285.819 1.127 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967402071 613594053 /nfs/dbraw/zinc/59/40/53/613594053.db2.gz MERPIEBHOYSSSV-DZGCQCFKSA-N 2 2 288.395 1.041 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967402071 613594057 /nfs/dbraw/zinc/59/40/57/613594057.db2.gz MERPIEBHOYSSSV-DZGCQCFKSA-N 2 2 288.395 1.041 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948874343 613704228 /nfs/dbraw/zinc/70/42/28/613704228.db2.gz WHBVZRBVFCGEII-ZDUSSCGKSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948874343 613704229 /nfs/dbraw/zinc/70/42/29/613704229.db2.gz WHBVZRBVFCGEII-ZDUSSCGKSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948752835 613709068 /nfs/dbraw/zinc/70/90/68/613709068.db2.gz SRLUQHJXGAGFRW-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948752835 613709070 /nfs/dbraw/zinc/70/90/70/613709070.db2.gz SRLUQHJXGAGFRW-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947849319 613783806 /nfs/dbraw/zinc/78/38/06/613783806.db2.gz RGWITRUKRNGDEO-RYUDHWBXSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947849319 613783808 /nfs/dbraw/zinc/78/38/08/613783808.db2.gz RGWITRUKRNGDEO-RYUDHWBXSA-N 2 2 262.357 1.107 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(N(C)C)[nH+]cn2)C1 ZINC000895203330 619451381 /nfs/dbraw/zinc/45/13/81/619451381.db2.gz WZORGMWIDLLRRG-GFCCVEGCSA-N 2 2 259.357 1.052 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(N(C)C)[nH+]cn2)C1 ZINC000895203330 619451386 /nfs/dbraw/zinc/45/13/86/619451386.db2.gz WZORGMWIDLLRRG-GFCCVEGCSA-N 2 2 259.357 1.052 20 30 CDEDLP C=CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000917070839 632143441 /nfs/dbraw/zinc/14/34/41/632143441.db2.gz HIANBENAOLWIKD-UHFFFAOYSA-N 2 2 297.443 1.110 20 30 CDEDLP C=CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000917070839 632143448 /nfs/dbraw/zinc/14/34/48/632143448.db2.gz HIANBENAOLWIKD-UHFFFAOYSA-N 2 2 297.443 1.110 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130006633 1162522668 /nfs/dbraw/zinc/52/26/68/1162522668.db2.gz NKLUZGNEAKJWNH-CQSZACIVSA-N 2 2 278.400 1.752 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131641024 1162986604 /nfs/dbraw/zinc/98/66/04/1162986604.db2.gz FVSNNVBTSPJDHN-ZDUSSCGKSA-N 2 2 278.400 1.413 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C ZINC001088630817 1160668908 /nfs/dbraw/zinc/66/89/08/1160668908.db2.gz BFOZZHMIMFKLES-ILXRZTDVSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C ZINC001088630817 1160668911 /nfs/dbraw/zinc/66/89/11/1160668911.db2.gz BFOZZHMIMFKLES-ILXRZTDVSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCF)[C@@H]1C ZINC001088630817 1160668914 /nfs/dbraw/zinc/66/89/14/1160668914.db2.gz BFOZZHMIMFKLES-ILXRZTDVSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCF)[C@@H]1C ZINC001088630817 1160668916 /nfs/dbraw/zinc/66/89/16/1160668916.db2.gz BFOZZHMIMFKLES-ILXRZTDVSA-N 2 2 295.402 1.023 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001753337466 1183978721 /nfs/dbraw/zinc/97/87/21/1183978721.db2.gz OPICTLKFDACDDG-CYBMUJFWSA-N 2 2 276.384 1.357 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001753337466 1183978726 /nfs/dbraw/zinc/97/87/26/1183978726.db2.gz OPICTLKFDACDDG-CYBMUJFWSA-N 2 2 276.384 1.357 20 30 CDEDLP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001753055623 1185024758 /nfs/dbraw/zinc/02/47/58/1185024758.db2.gz JLQGNGGJHVTBFI-CQSZACIVSA-N 2 2 290.411 1.460 20 30 CDEDLP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001753055623 1185024765 /nfs/dbraw/zinc/02/47/65/1185024765.db2.gz JLQGNGGJHVTBFI-CQSZACIVSA-N 2 2 290.411 1.460 20 30 CDEDLP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001753737014 1185323005 /nfs/dbraw/zinc/32/30/05/1185323005.db2.gz MPOAIDLBYFWJDG-AWEZNQCLSA-N 2 2 298.390 1.702 20 30 CDEDLP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001753799054 1185337606 /nfs/dbraw/zinc/33/76/06/1185337606.db2.gz JCRMWQCHZRZFSJ-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)CC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001754453079 1185624350 /nfs/dbraw/zinc/62/43/50/1185624350.db2.gz QABASQMVXFRSDZ-AWEZNQCLSA-N 2 2 276.384 1.403 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133663305 1163839013 /nfs/dbraw/zinc/83/90/13/1163839013.db2.gz CVMFKNDYFMOJEG-LBPRGKRZSA-N 2 2 276.384 1.502 20 30 CDEDLP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024513590 782626387 /nfs/dbraw/zinc/62/63/87/782626387.db2.gz RELYXPIWKZMQNQ-LSDHHAIUSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513590 782626395 /nfs/dbraw/zinc/62/63/95/782626395.db2.gz RELYXPIWKZMQNQ-LSDHHAIUSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513590 782626399 /nfs/dbraw/zinc/62/63/99/782626399.db2.gz RELYXPIWKZMQNQ-LSDHHAIUSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000874264041 782788759 /nfs/dbraw/zinc/78/87/59/782788759.db2.gz PORXVRMWJLUMFG-MRXNPFEDSA-N 2 2 289.423 1.171 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046190001 782900533 /nfs/dbraw/zinc/90/05/33/782900533.db2.gz PVAPOIBBMAXETM-OCCSQVGLSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046190001 782900534 /nfs/dbraw/zinc/90/05/34/782900534.db2.gz PVAPOIBBMAXETM-OCCSQVGLSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046190001 782900537 /nfs/dbraw/zinc/90/05/37/782900537.db2.gz PVAPOIBBMAXETM-OCCSQVGLSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046190001 782900539 /nfs/dbraw/zinc/90/05/39/782900539.db2.gz PVAPOIBBMAXETM-OCCSQVGLSA-N 2 2 285.819 1.414 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC)C1 ZINC001014780104 783014895 /nfs/dbraw/zinc/01/48/95/783014895.db2.gz PKHFMLUCPOEHSS-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC)C1 ZINC001014780104 783014901 /nfs/dbraw/zinc/01/49/01/783014901.db2.gz PKHFMLUCPOEHSS-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC)C1 ZINC001014780104 783014908 /nfs/dbraw/zinc/01/49/08/783014908.db2.gz PKHFMLUCPOEHSS-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC)C1 ZINC001014780104 783014917 /nfs/dbraw/zinc/01/49/17/783014917.db2.gz PKHFMLUCPOEHSS-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016850375 783112156 /nfs/dbraw/zinc/11/21/56/783112156.db2.gz IDLGBUFCPQVBPD-AWEZNQCLSA-N 2 2 288.395 1.499 20 30 CDEDLP C#CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CCOC)c1ccccc1 ZINC000846844519 780822127 /nfs/dbraw/zinc/82/21/27/780822127.db2.gz NRASPUOOXVBUJU-DLBZAZTESA-N 2 2 290.407 1.280 20 30 CDEDLP C#CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CCOC)c1ccccc1 ZINC000846844519 780822131 /nfs/dbraw/zinc/82/21/31/780822131.db2.gz NRASPUOOXVBUJU-DLBZAZTESA-N 2 2 290.407 1.280 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049842800 781023733 /nfs/dbraw/zinc/02/37/33/781023733.db2.gz YEUCHCPHZXELGE-GJZGRUSLSA-N 2 2 288.395 1.214 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049842800 781023737 /nfs/dbraw/zinc/02/37/37/781023737.db2.gz YEUCHCPHZXELGE-GJZGRUSLSA-N 2 2 288.395 1.214 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)CC1 ZINC000813325320 781344332 /nfs/dbraw/zinc/34/43/32/781344332.db2.gz BRMHYUAMGDZKMJ-JSGCOSHPSA-N 2 2 265.401 1.284 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2cccc(C)n12 ZINC000883131105 781540184 /nfs/dbraw/zinc/54/01/84/781540184.db2.gz GQHPMEKFFPKVRF-UHFFFAOYSA-N 2 2 270.380 1.687 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc2cccc(C)n12 ZINC000883131105 781540205 /nfs/dbraw/zinc/54/02/05/781540205.db2.gz GQHPMEKFFPKVRF-UHFFFAOYSA-N 2 2 270.380 1.687 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnnn1-c1ccccc1 ZINC000926489214 781846536 /nfs/dbraw/zinc/84/65/36/781846536.db2.gz FKJSKHJDOQLMBN-HNNXBMFYSA-N 2 2 297.406 1.873 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnnn1-c1ccccc1 ZINC000926489214 781846547 /nfs/dbraw/zinc/84/65/47/781846547.db2.gz FKJSKHJDOQLMBN-HNNXBMFYSA-N 2 2 297.406 1.873 20 30 CDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175460642 913638738 /nfs/dbraw/zinc/63/87/38/913638738.db2.gz JLDXFKJOKYZIJV-ZDUSSCGKSA-N 2 2 276.384 1.240 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001266564492 895379816 /nfs/dbraw/zinc/37/98/16/895379816.db2.gz ZXLYFLXKHSAYJS-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176175915 913979099 /nfs/dbraw/zinc/97/90/99/913979099.db2.gz RROLRIQELCPKLQ-AWEZNQCLSA-N 2 2 290.411 1.251 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027389015 900475612 /nfs/dbraw/zinc/47/56/12/900475612.db2.gz YTRHSAVLGHOUDJ-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027389015 900475615 /nfs/dbraw/zinc/47/56/15/900475615.db2.gz YTRHSAVLGHOUDJ-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994298429 914514680 /nfs/dbraw/zinc/51/46/80/914514680.db2.gz NDPWOELYIBULDC-ZIAGYGMSSA-N 2 2 288.395 1.253 20 30 CDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994298429 914514689 /nfs/dbraw/zinc/51/46/89/914514689.db2.gz NDPWOELYIBULDC-ZIAGYGMSSA-N 2 2 288.395 1.253 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001030511780 911958891 /nfs/dbraw/zinc/95/88/91/911958891.db2.gz DDHZRYFJFVKRPW-UHFFFAOYSA-N 2 2 277.412 1.239 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Br)nn1C ZINC000691591983 915069595 /nfs/dbraw/zinc/06/95/95/915069595.db2.gz LSDKKTIGWJAISS-UHFFFAOYSA-N 2 2 299.216 1.227 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)nn1C ZINC000691591983 915069611 /nfs/dbraw/zinc/06/96/11/915069611.db2.gz LSDKKTIGWJAISS-UHFFFAOYSA-N 2 2 299.216 1.227 20 30 CDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182757593 918094473 /nfs/dbraw/zinc/09/44/73/918094473.db2.gz FBYCTOLXARSFRP-IUODEOHRSA-N 2 2 276.384 1.212 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001054924465 936478758 /nfs/dbraw/zinc/47/87/58/936478758.db2.gz FPPPHWCULDODSQ-UONOGXRCSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996565119 918299993 /nfs/dbraw/zinc/29/99/93/918299993.db2.gz XCDXZXORRGDUOI-CQSZACIVSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001055865 936546653 /nfs/dbraw/zinc/54/66/53/936546653.db2.gz NPKCOZJCVWFZDH-LBPRGKRZSA-N 2 2 282.775 1.216 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050153432 936556219 /nfs/dbraw/zinc/55/62/19/936556219.db2.gz OOOJHNXBZJBIJR-GXTWGEPZSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050153432 936556221 /nfs/dbraw/zinc/55/62/21/936556221.db2.gz OOOJHNXBZJBIJR-GXTWGEPZSA-N 2 2 274.368 1.061 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(C#N)c3ccccc32)CC1 ZINC001168737276 921898911 /nfs/dbraw/zinc/89/89/11/921898911.db2.gz YQCMBGUEYAGWAC-UHFFFAOYSA-N 2 2 294.362 1.701 20 30 CDEDLP C#CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000775400605 922090193 /nfs/dbraw/zinc/09/01/93/922090193.db2.gz QEBDAIWYIOPJLV-SJORKVTESA-N 2 2 272.392 1.797 20 30 CDEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034548743 922674249 /nfs/dbraw/zinc/67/42/49/922674249.db2.gz FWAHYABYRCCALB-AWEZNQCLSA-N 2 2 276.384 1.430 20 30 CDEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034548743 922674259 /nfs/dbraw/zinc/67/42/59/922674259.db2.gz FWAHYABYRCCALB-AWEZNQCLSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034743885 922790563 /nfs/dbraw/zinc/79/05/63/922790563.db2.gz FEJKEHBGQZMTGR-JOCQHMNTSA-N 2 2 276.384 1.545 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084560245 925289541 /nfs/dbraw/zinc/28/95/41/925289541.db2.gz GSXXGBCUHRCJJH-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084560245 925289548 /nfs/dbraw/zinc/28/95/48/925289548.db2.gz GSXXGBCUHRCJJH-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084776112 925421444 /nfs/dbraw/zinc/42/14/44/925421444.db2.gz JKZIACHALMQOCR-CHWSQXEVSA-N 2 2 288.395 1.406 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084776112 925421447 /nfs/dbraw/zinc/42/14/47/925421447.db2.gz JKZIACHALMQOCR-CHWSQXEVSA-N 2 2 288.395 1.406 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086403981 927079588 /nfs/dbraw/zinc/07/95/88/927079588.db2.gz KZTKVQDOIDGBDB-MGPQQGTHSA-N 2 2 288.395 1.116 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134548984 929782640 /nfs/dbraw/zinc/78/26/40/929782640.db2.gz LOWWYSIZTIFPHQ-QWHCGFSZSA-N 2 2 276.384 1.239 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134548984 929782646 /nfs/dbraw/zinc/78/26/46/929782646.db2.gz LOWWYSIZTIFPHQ-QWHCGFSZSA-N 2 2 276.384 1.239 20 30 CDEDLP CC(C)[C@H](O)CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000882981297 930116613 /nfs/dbraw/zinc/11/66/13/930116613.db2.gz HJAZCIQBDBKRAN-OAHLLOKOSA-N 2 2 293.411 1.792 20 30 CDEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799902 930427965 /nfs/dbraw/zinc/42/79/65/930427965.db2.gz ZCISISJRIDDXMF-STQMWFEESA-N 2 2 278.400 1.791 20 30 CDEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016994204 935627530 /nfs/dbraw/zinc/62/75/30/935627530.db2.gz KTPBOKGDODQJJX-AWEZNQCLSA-N 2 2 288.395 1.430 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096234362 936016006 /nfs/dbraw/zinc/01/60/06/936016006.db2.gz PSUIFLLQKDPHBC-PMPSAXMXSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096234362 936016009 /nfs/dbraw/zinc/01/60/09/936016009.db2.gz PSUIFLLQKDPHBC-PMPSAXMXSA-N 2 2 289.423 1.073 20 30 CDEDLP C[C@H](C#N)OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000801935910 936017515 /nfs/dbraw/zinc/01/75/15/936017515.db2.gz NBAZYSCMGKKRGX-CYBMUJFWSA-N 2 2 274.368 1.887 20 30 CDEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383193 938361172 /nfs/dbraw/zinc/36/11/72/938361172.db2.gz HMQZNHHYHQHMPE-CQSZACIVSA-N 2 2 292.427 1.755 20 30 CDEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383193 938361175 /nfs/dbraw/zinc/36/11/75/938361175.db2.gz HMQZNHHYHQHMPE-CQSZACIVSA-N 2 2 292.427 1.755 20 30 CDEDLP C[NH+](C)C1(CNc2cncc(F)c2C#N)CC[NH+](C)CC1 ZINC001164213630 939431330 /nfs/dbraw/zinc/43/13/30/939431330.db2.gz ZOKNULIGDXZDFQ-UHFFFAOYSA-N 2 2 291.374 1.530 20 30 CDEDLP Cc1[nH+]c2c(n1-c1nc(Cl)cnc1C#N)CC[NH2+]CC2 ZINC001165351724 939550265 /nfs/dbraw/zinc/55/02/65/939550265.db2.gz GTBRIASKBJPLJV-UHFFFAOYSA-N 2 2 288.742 1.184 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205490551 939893749 /nfs/dbraw/zinc/89/37/49/939893749.db2.gz LLINOHKXHQWOFJ-ZIAGYGMSSA-N 2 2 288.395 1.527 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205490551 939893755 /nfs/dbraw/zinc/89/37/55/939893755.db2.gz LLINOHKXHQWOFJ-ZIAGYGMSSA-N 2 2 288.395 1.527 20 30 CDEDLP N#Cc1ccn2ncc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c2c1 ZINC001206213458 939999036 /nfs/dbraw/zinc/99/90/36/939999036.db2.gz VIHVASUWSVHTLW-ZIAGYGMSSA-N 2 2 287.342 1.467 20 30 CDEDLP N#Cc1ccn2ncc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c2c1 ZINC001206213458 939999039 /nfs/dbraw/zinc/99/90/39/939999039.db2.gz VIHVASUWSVHTLW-ZIAGYGMSSA-N 2 2 287.342 1.467 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061822 940282294 /nfs/dbraw/zinc/28/22/94/940282294.db2.gz PHVLUUUGQNXCQT-ZIAGYGMSSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061822 940282296 /nfs/dbraw/zinc/28/22/96/940282296.db2.gz PHVLUUUGQNXCQT-ZIAGYGMSSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211433633 940754495 /nfs/dbraw/zinc/75/44/95/940754495.db2.gz OEORGRJYZIKPLH-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211433633 940754497 /nfs/dbraw/zinc/75/44/97/940754497.db2.gz OEORGRJYZIKPLH-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215681081 940902453 /nfs/dbraw/zinc/90/24/53/940902453.db2.gz RJWSOPHXIZGLHP-UMVBOHGHSA-N 2 2 290.411 1.743 20 30 CDEDLP C=C1CC=C(F)C=C1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220796681 941472914 /nfs/dbraw/zinc/47/29/14/941472914.db2.gz AFRAEBJQWVYAKV-GYSYKLTISA-N 2 2 263.316 1.022 20 30 CDEDLP CCOC(=[NH2+])CCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224966929 941810160 /nfs/dbraw/zinc/81/01/60/941810160.db2.gz UKQSBTZXKXUJMY-KYFMZXIUSA-N 2 2 282.384 1.799 20 30 CDEDLP CCOC(=[NH2+])CCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224966929 941810162 /nfs/dbraw/zinc/81/01/62/941810162.db2.gz UKQSBTZXKXUJMY-KYFMZXIUSA-N 2 2 282.384 1.799 20 30 CDEDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn2ccc(C#N)cc12 ZINC001277415993 942524790 /nfs/dbraw/zinc/52/47/90/942524790.db2.gz DMNLFXVIYVRGGN-MQVJKMGUSA-N 2 2 295.390 1.921 20 30 CDEDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn2ccc(C#N)cc12 ZINC001277415993 942524796 /nfs/dbraw/zinc/52/47/96/942524796.db2.gz DMNLFXVIYVRGGN-MQVJKMGUSA-N 2 2 295.390 1.921 20 30 CDEDLP N#CCC[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277938685 944130448 /nfs/dbraw/zinc/13/04/48/944130448.db2.gz DKDMPGZMGKSQKL-IYBDPMFKSA-N 3 2 287.411 1.441 20 30 CDEDLP N#CCC[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277938685 944130452 /nfs/dbraw/zinc/13/04/52/944130452.db2.gz DKDMPGZMGKSQKL-IYBDPMFKSA-N 3 2 287.411 1.441 20 30 CDEDLP N#CCC[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277938685 944130456 /nfs/dbraw/zinc/13/04/56/944130456.db2.gz DKDMPGZMGKSQKL-IYBDPMFKSA-N 3 2 287.411 1.441 20 30 CDEDLP N#CCC[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277938685 944130462 /nfs/dbraw/zinc/13/04/62/944130462.db2.gz DKDMPGZMGKSQKL-IYBDPMFKSA-N 3 2 287.411 1.441 20 30 CDEDLP C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246063069 947920993 /nfs/dbraw/zinc/92/09/93/947920993.db2.gz HHRHXJLKNUNLIW-HUUCEWRRSA-N 2 2 282.428 1.533 20 30 CDEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246063069 947920999 /nfs/dbraw/zinc/92/09/99/947920999.db2.gz HHRHXJLKNUNLIW-HUUCEWRRSA-N 2 2 282.428 1.533 20 30 CDEDLP C[C@H]1C[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246532082 948232907 /nfs/dbraw/zinc/23/29/07/948232907.db2.gz WGOPDQAWPTVPFF-GOEBONIOSA-N 2 2 284.407 1.821 20 30 CDEDLP N#Cc1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246830244 948463558 /nfs/dbraw/zinc/46/35/58/948463558.db2.gz AMOLPCNYJRDFSV-XYPWUTKMSA-N 2 2 297.406 1.358 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422202269 955839926 /nfs/dbraw/zinc/83/99/26/955839926.db2.gz VELCMEKHHMZWQX-LBPRGKRZSA-N 2 2 287.835 1.471 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001422202269 955839935 /nfs/dbraw/zinc/83/99/35/955839935.db2.gz VELCMEKHHMZWQX-LBPRGKRZSA-N 2 2 287.835 1.471 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001422202269 955839946 /nfs/dbraw/zinc/83/99/46/955839946.db2.gz VELCMEKHHMZWQX-LBPRGKRZSA-N 2 2 287.835 1.471 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001422202269 955839951 /nfs/dbraw/zinc/83/99/51/955839951.db2.gz VELCMEKHHMZWQX-LBPRGKRZSA-N 2 2 287.835 1.471 20 30 CDEDLP C[C@H](C#N)OCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308168763 956482840 /nfs/dbraw/zinc/48/28/40/956482840.db2.gz UUQQMWBUQKHTLJ-GFCCVEGCSA-N 2 2 262.357 1.528 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001448698337 967214264 /nfs/dbraw/zinc/21/42/64/967214264.db2.gz IYXFXINJXMQOKZ-GFCCVEGCSA-N 2 2 284.791 1.462 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132782842 1163477391 /nfs/dbraw/zinc/47/73/91/1163477391.db2.gz TXZHYKTXDJXYJN-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000125147874 187171536 /nfs/dbraw/zinc/17/15/36/187171536.db2.gz XRILRGULRGFDCU-AWEZNQCLSA-N 2 2 297.424 1.257 20 30 CDEDLP C=CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000125147874 187171537 /nfs/dbraw/zinc/17/15/37/187171537.db2.gz XRILRGULRGFDCU-AWEZNQCLSA-N 2 2 297.424 1.257 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000591764821 342645911 /nfs/dbraw/zinc/64/59/11/342645911.db2.gz KOBPIIMTNXQJPT-RDJZCZTQSA-N 2 2 285.391 1.590 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000591764821 342645912 /nfs/dbraw/zinc/64/59/12/342645912.db2.gz KOBPIIMTNXQJPT-RDJZCZTQSA-N 2 2 285.391 1.590 20 30 CDEDLP C[C@H](CCC#N)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000618888108 345419527 /nfs/dbraw/zinc/41/95/27/345419527.db2.gz NRLJOPCTDPAJMW-CYBMUJFWSA-N 2 2 280.416 1.068 20 30 CDEDLP CC#CC[C@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000641768326 365834144 /nfs/dbraw/zinc/83/41/44/365834144.db2.gz ZKDYJVMCKJIGGF-CYBMUJFWSA-N 2 2 292.345 1.767 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1CCCCC1 ZINC000491450766 332213277 /nfs/dbraw/zinc/21/32/77/332213277.db2.gz CCPPGGQPKSMIKU-OAHLLOKOSA-N 2 2 252.402 1.567 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)CC)C1CCCCC1 ZINC000491450766 332213279 /nfs/dbraw/zinc/21/32/79/332213279.db2.gz CCPPGGQPKSMIKU-OAHLLOKOSA-N 2 2 252.402 1.567 20 30 CDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1CCCCC1 ZINC000491450766 332213281 /nfs/dbraw/zinc/21/32/81/332213281.db2.gz CCPPGGQPKSMIKU-OAHLLOKOSA-N 2 2 252.402 1.567 20 30 CDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CC)C1CCCCC1 ZINC000491450766 332213283 /nfs/dbraw/zinc/21/32/83/332213283.db2.gz CCPPGGQPKSMIKU-OAHLLOKOSA-N 2 2 252.402 1.567 20 30 CDEDLP CN(C(=[NH2+])NCc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000181463052 357349683 /nfs/dbraw/zinc/34/96/83/357349683.db2.gz PTUGNTBLCSPCJH-UHFFFAOYSA-N 2 2 270.340 1.176 20 30 CDEDLP C#CC[N@H+](C)CCCN[C@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000294902605 199239998 /nfs/dbraw/zinc/23/99/98/199239998.db2.gz FPRGEIZOZDIBGT-HNNXBMFYSA-N 2 2 283.379 1.439 20 30 CDEDLP C#CC[N@@H+](C)CCCN[C@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000294902605 199239999 /nfs/dbraw/zinc/23/99/99/199239999.db2.gz FPRGEIZOZDIBGT-HNNXBMFYSA-N 2 2 283.379 1.439 20 30 CDEDLP CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375738400 370946702 /nfs/dbraw/zinc/94/67/02/370946702.db2.gz NSHDGOSBIACCGY-CZUORRHYSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375738400 370946705 /nfs/dbraw/zinc/94/67/05/370946705.db2.gz NSHDGOSBIACCGY-CZUORRHYSA-N 2 2 292.427 1.211 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)CC1 ZINC000276568386 193383612 /nfs/dbraw/zinc/38/36/12/193383612.db2.gz IBFXQUCQVGDGIN-CQSZACIVSA-N 2 2 288.395 1.568 20 30 CDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000361010703 374032069 /nfs/dbraw/zinc/03/20/69/374032069.db2.gz DYKCLWGZFAWBNJ-GOSISDBHSA-N 2 2 298.434 1.770 20 30 CDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000361010703 374032075 /nfs/dbraw/zinc/03/20/75/374032075.db2.gz DYKCLWGZFAWBNJ-GOSISDBHSA-N 2 2 298.434 1.770 20 30 CDEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000135182749 375683906 /nfs/dbraw/zinc/68/39/06/375683906.db2.gz CUZQJULLNCOWHH-ZDUSSCGKSA-N 2 2 252.406 1.152 20 30 CDEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000135182749 375683912 /nfs/dbraw/zinc/68/39/12/375683912.db2.gz CUZQJULLNCOWHH-ZDUSSCGKSA-N 2 2 252.406 1.152 20 30 CDEDLP CC(C)(CCC#N)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000344204920 379256515 /nfs/dbraw/zinc/25/65/15/379256515.db2.gz BNONOMCZVQIAGV-CYBMUJFWSA-N 2 2 280.416 1.246 20 30 CDEDLP CC(C)(CCC#N)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000344204920 379256522 /nfs/dbraw/zinc/25/65/22/379256522.db2.gz BNONOMCZVQIAGV-CYBMUJFWSA-N 2 2 280.416 1.246 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CCO1 ZINC000338924675 391232774 /nfs/dbraw/zinc/23/27/74/391232774.db2.gz JCDKVCLUDAPPKC-YCPHGPKFSA-N 2 2 277.412 1.864 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CCO1 ZINC000338924675 391232776 /nfs/dbraw/zinc/23/27/76/391232776.db2.gz JCDKVCLUDAPPKC-YCPHGPKFSA-N 2 2 277.412 1.864 20 30 CDEDLP CCc1ccc([C@@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1 ZINC000262670934 391809843 /nfs/dbraw/zinc/80/98/43/391809843.db2.gz QVPOJIDVJDHJJX-OAHLLOKOSA-N 2 2 274.412 1.743 20 30 CDEDLP COc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)ccc1C#N ZINC000313330498 260285335 /nfs/dbraw/zinc/28/53/35/260285335.db2.gz AGKCVVWUGVSQLJ-CQSZACIVSA-N 2 2 275.352 1.116 20 30 CDEDLP COc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)ccc1C#N ZINC000313330498 260285337 /nfs/dbraw/zinc/28/53/37/260285337.db2.gz AGKCVVWUGVSQLJ-CQSZACIVSA-N 2 2 275.352 1.116 20 30 CDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347049838 265123619 /nfs/dbraw/zinc/12/36/19/265123619.db2.gz JKZAMCZUTKSYPJ-CQSZACIVSA-N 2 2 292.427 1.213 20 30 CDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347049838 265123622 /nfs/dbraw/zinc/12/36/22/265123622.db2.gz JKZAMCZUTKSYPJ-CQSZACIVSA-N 2 2 292.427 1.213 20 30 CDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347049838 265123624 /nfs/dbraw/zinc/12/36/24/265123624.db2.gz JKZAMCZUTKSYPJ-CQSZACIVSA-N 2 2 292.427 1.213 20 30 CDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347049838 265123626 /nfs/dbraw/zinc/12/36/26/265123626.db2.gz JKZAMCZUTKSYPJ-CQSZACIVSA-N 2 2 292.427 1.213 20 30 CDEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000583084442 325103433 /nfs/dbraw/zinc/10/34/33/325103433.db2.gz XSGQVDMZPOSTEN-HNNXBMFYSA-N 2 2 298.394 1.517 20 30 CDEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000583084442 325103435 /nfs/dbraw/zinc/10/34/35/325103435.db2.gz XSGQVDMZPOSTEN-HNNXBMFYSA-N 2 2 298.394 1.517 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000491164671 332158926 /nfs/dbraw/zinc/15/89/26/332158926.db2.gz DIPMZHPGBWSAOO-HUUCEWRRSA-N 3 2 251.418 1.261 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000491164671 332158927 /nfs/dbraw/zinc/15/89/27/332158927.db2.gz DIPMZHPGBWSAOO-HUUCEWRRSA-N 3 2 251.418 1.261 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](CC)C[C@H]1C ZINC000491164671 332158929 /nfs/dbraw/zinc/15/89/29/332158929.db2.gz DIPMZHPGBWSAOO-HUUCEWRRSA-N 3 2 251.418 1.261 20 30 CDEDLP CC[C@H](C)[NH2+][C@@H](CNC1=[NH+]CCN1C)c1ccco1 ZINC000262201986 330003895 /nfs/dbraw/zinc/00/38/95/330003895.db2.gz AYFTVNKGGASEJN-RYUDHWBXSA-N 2 2 264.373 1.600 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424277770 330333578 /nfs/dbraw/zinc/33/35/78/330333578.db2.gz AVGRZCZAEOUXGS-CHWSQXEVSA-N 2 2 251.374 1.047 20 30 CDEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000491503709 332224307 /nfs/dbraw/zinc/22/43/07/332224307.db2.gz DRMOVBJUSPPCKE-ZDUSSCGKSA-N 2 2 266.385 1.405 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001481173467 1159547855 /nfs/dbraw/zinc/54/78/55/1159547855.db2.gz JLDYGDNFPXWZGH-CQSZACIVSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001481173467 1159547861 /nfs/dbraw/zinc/54/78/61/1159547861.db2.gz JLDYGDNFPXWZGH-CQSZACIVSA-N 2 2 299.846 1.804 20 30 CDEDLP 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C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001043123062 935833305 /nfs/dbraw/zinc/83/33/05/935833305.db2.gz ALWSDCMEUVRPSB-ZDUSSCGKSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046430221 935950798 /nfs/dbraw/zinc/95/07/98/935950798.db2.gz YVPKCEPRYMNUGN-XJKSGUPXSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046430221 935950801 /nfs/dbraw/zinc/95/08/01/935950801.db2.gz YVPKCEPRYMNUGN-XJKSGUPXSA-N 2 2 288.395 1.212 20 30 CDEDLP Cc1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc1C#N ZINC001158260614 938601397 /nfs/dbraw/zinc/60/13/97/938601397.db2.gz GEMVCRFXPDCDFV-CYBMUJFWSA-N 2 2 285.395 1.264 20 30 CDEDLP Cc1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc1C#N ZINC001158260614 938601403 /nfs/dbraw/zinc/60/14/03/938601403.db2.gz GEMVCRFXPDCDFV-CYBMUJFWSA-N 2 2 285.395 1.264 20 30 CDEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955382 938681853 /nfs/dbraw/zinc/68/18/53/938681853.db2.gz IFTUBEJKCWLUOE-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955382 938681855 /nfs/dbraw/zinc/68/18/55/938681855.db2.gz IFTUBEJKCWLUOE-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044272 939183429 /nfs/dbraw/zinc/18/34/29/939183429.db2.gz RTXANXBQAOJZPG-UHFFFAOYSA-N 2 2 278.400 1.415 20 30 CDEDLP N#CC1(c2cc[nH+]c(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2)CC1 ZINC001163316623 939245913 /nfs/dbraw/zinc/24/59/13/939245913.db2.gz QLYFRGDPYONXLX-YOEHRIQHSA-N 2 2 298.390 1.960 20 30 CDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(F)c(C#N)c1 ZINC001205493682 939892925 /nfs/dbraw/zinc/89/29/25/939892925.db2.gz JDJXDBLDVYQKMR-UHFFFAOYSA-N 2 2 290.386 1.377 20 30 CDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(F)c(C#N)c1 ZINC001205493682 939892927 /nfs/dbraw/zinc/89/29/27/939892927.db2.gz JDJXDBLDVYQKMR-UHFFFAOYSA-N 2 2 290.386 1.377 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207703276 940233223 /nfs/dbraw/zinc/23/32/23/940233223.db2.gz VHJSWGVHKXFOKG-RAIGVLPGSA-N 2 2 287.835 1.516 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207703276 940233226 /nfs/dbraw/zinc/23/32/26/940233226.db2.gz VHJSWGVHKXFOKG-RAIGVLPGSA-N 2 2 287.835 1.516 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208365993 940325176 /nfs/dbraw/zinc/32/51/76/940325176.db2.gz VJMNEZIVIQTTSJ-MGPQQGTHSA-N 2 2 286.379 1.117 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365993 940325179 /nfs/dbraw/zinc/32/51/79/940325179.db2.gz VJMNEZIVIQTTSJ-MGPQQGTHSA-N 2 2 286.379 1.117 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208994570 940419706 /nfs/dbraw/zinc/41/97/06/940419706.db2.gz BHMLXYMBKZRUDU-RBSFLKMASA-N 2 2 288.395 1.294 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208994570 940419707 /nfs/dbraw/zinc/41/97/07/940419707.db2.gz BHMLXYMBKZRUDU-RBSFLKMASA-N 2 2 288.395 1.294 20 30 CDEDLP C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219311358 941328382 /nfs/dbraw/zinc/32/83/82/941328382.db2.gz YEPIXXXPZFLUOU-AWEZNQCLSA-N 2 2 289.455 1.530 20 30 CDEDLP N#C[C@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1ccccc1 ZINC001219558591 941355473 /nfs/dbraw/zinc/35/54/73/941355473.db2.gz RWBOVUDBRYEXPH-HOTGVXAUSA-N 2 2 294.358 1.640 20 30 CDEDLP C=CCC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224980621 941811480 /nfs/dbraw/zinc/81/14/80/941811480.db2.gz LCVKPSNUEFIJFY-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246105955 947957125 /nfs/dbraw/zinc/95/71/25/947957125.db2.gz DHKIBLPESSCOHI-CQDKDKBSSA-N 2 2 261.344 1.779 20 30 CDEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnn4ccc(C#N)cc34)C2)C1 ZINC001249118725 949396563 /nfs/dbraw/zinc/39/65/63/949396563.db2.gz KBLRSGBIFNRJPB-KRWDZBQOSA-N 2 2 295.390 1.734 20 30 CDEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnn4ccc(C#N)cc34)C2)C1 ZINC001249118725 949396586 /nfs/dbraw/zinc/39/65/86/949396586.db2.gz KBLRSGBIFNRJPB-KRWDZBQOSA-N 2 2 295.390 1.734 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnn4ccc(C#N)cc34)C2)C1 ZINC001249118725 949396609 /nfs/dbraw/zinc/39/66/09/949396609.db2.gz KBLRSGBIFNRJPB-KRWDZBQOSA-N 2 2 295.390 1.734 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnn4ccc(C#N)cc34)C2)C1 ZINC001249118725 949396631 /nfs/dbraw/zinc/39/66/31/949396631.db2.gz KBLRSGBIFNRJPB-KRWDZBQOSA-N 2 2 295.390 1.734 20 30 CDEDLP CC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001251814232 950839898 /nfs/dbraw/zinc/83/98/98/950839898.db2.gz ZFYIHERZSUVHTN-QGZVFWFLSA-N 2 2 287.407 1.883 20 30 CDEDLP C=CCOC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252483005 951348102 /nfs/dbraw/zinc/34/81/02/951348102.db2.gz PYOVBSXXDQZWSI-INIZCTEOSA-N 2 2 287.363 1.525 20 30 CDEDLP C=CCOC[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001252483752 951348798 /nfs/dbraw/zinc/34/87/98/951348798.db2.gz XDFDVJPPKVRDCM-SJORKVTESA-N 2 2 292.423 1.833 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1CCc2c(C[N@@H+](C)C(C)C)n[nH]c2C1 ZINC001252550707 951438909 /nfs/dbraw/zinc/43/89/09/951438909.db2.gz PQQGSKYPZXKULK-MRXNPFEDSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1CCc2c(C[N@H+](C)C(C)C)n[nH]c2C1 ZINC001252550707 951438916 /nfs/dbraw/zinc/43/89/16/951438916.db2.gz PQQGSKYPZXKULK-MRXNPFEDSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@@](C)(O)C[N@H+]1CCc2c(C[NH+](C)C(C)C)n[nH]c2C1 ZINC001252550707 951438920 /nfs/dbraw/zinc/43/89/20/951438920.db2.gz PQQGSKYPZXKULK-MRXNPFEDSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@@](C)(O)C[N@@H+]1CCc2c(C[NH+](C)C(C)C)n[nH]c2C1 ZINC001252550707 951438926 /nfs/dbraw/zinc/43/89/26/951438926.db2.gz PQQGSKYPZXKULK-MRXNPFEDSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1CCc2c(C[N@@H+](C)C(C)C)[nH]nc2C1 ZINC001252550707 951438934 /nfs/dbraw/zinc/43/89/34/951438934.db2.gz PQQGSKYPZXKULK-MRXNPFEDSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1CCc2c(C[N@H+](C)C(C)C)[nH]nc2C1 ZINC001252550707 951438935 /nfs/dbraw/zinc/43/89/35/951438935.db2.gz PQQGSKYPZXKULK-MRXNPFEDSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@@](C)(O)C[N@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1 ZINC001252550707 951438942 /nfs/dbraw/zinc/43/89/42/951438942.db2.gz PQQGSKYPZXKULK-MRXNPFEDSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@@](C)(O)C[N@@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1 ZINC001252550707 951438945 /nfs/dbraw/zinc/43/89/45/951438945.db2.gz PQQGSKYPZXKULK-MRXNPFEDSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001252579469 951471879 /nfs/dbraw/zinc/47/18/79/951471879.db2.gz MAZQQMRLBPGOLN-KRWDZBQOSA-N 2 2 290.407 1.883 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001366760230 957167732 /nfs/dbraw/zinc/16/77/32/957167732.db2.gz JALPZJJMJKUIQN-UHFFFAOYSA-N 2 2 296.802 1.525 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001366760230 957167738 /nfs/dbraw/zinc/16/77/38/957167738.db2.gz JALPZJJMJKUIQN-UHFFFAOYSA-N 2 2 296.802 1.525 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001367015551 957339326 /nfs/dbraw/zinc/33/93/26/957339326.db2.gz ITNYZCGXVRCOSL-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001367015551 957339333 /nfs/dbraw/zinc/33/93/33/957339333.db2.gz ITNYZCGXVRCOSL-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001336732130 960516444 /nfs/dbraw/zinc/51/64/44/960516444.db2.gz AOFAHBQYSJBKHQ-CYBMUJFWSA-N 2 2 276.384 1.027 20 30 CDEDLP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001434536969 961665370 /nfs/dbraw/zinc/66/53/70/961665370.db2.gz FEQPRJJSSPQQRD-YHNBSYBMSA-N 2 2 278.444 1.683 20 30 CDEDLP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001434536969 961665384 /nfs/dbraw/zinc/66/53/84/961665384.db2.gz FEQPRJJSSPQQRD-YHNBSYBMSA-N 2 2 278.444 1.683 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001439876559 963887147 /nfs/dbraw/zinc/88/71/47/963887147.db2.gz YNSNPIIPZCYBEP-CQSZACIVSA-N 2 2 296.802 1.525 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001439876559 963887152 /nfs/dbraw/zinc/88/71/52/963887152.db2.gz YNSNPIIPZCYBEP-CQSZACIVSA-N 2 2 296.802 1.525 20 30 CDEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001347037672 965342448 /nfs/dbraw/zinc/34/24/48/965342448.db2.gz BNLBFRKRQCTYCM-HUUCEWRRSA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001347037672 965342454 /nfs/dbraw/zinc/34/24/54/965342454.db2.gz BNLBFRKRQCTYCM-HUUCEWRRSA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001347037672 965342456 /nfs/dbraw/zinc/34/24/56/965342456.db2.gz BNLBFRKRQCTYCM-HUUCEWRRSA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001347037672 965342463 /nfs/dbraw/zinc/34/24/63/965342463.db2.gz BNLBFRKRQCTYCM-HUUCEWRRSA-N 2 2 278.396 1.500 20 30 CDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001351680374 966975215 /nfs/dbraw/zinc/97/52/15/966975215.db2.gz WHXVWNCYGDRUEF-OAHLLOKOSA-N 2 2 286.379 1.571 20 30 CDEDLP C[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001351680374 966975218 /nfs/dbraw/zinc/97/52/18/966975218.db2.gz WHXVWNCYGDRUEF-OAHLLOKOSA-N 2 2 286.379 1.571 20 30 CDEDLP C=CCC[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200293154 967859814 /nfs/dbraw/zinc/85/98/14/967859814.db2.gz XQBZDSFBOCDHFE-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100526099 968605079 /nfs/dbraw/zinc/60/50/79/968605079.db2.gz NMZNWJXQKJGUJY-UHFFFAOYSA-N 2 2 276.384 1.023 20 30 CDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC1CC1 ZINC000848992313 969385093 /nfs/dbraw/zinc/38/50/93/969385093.db2.gz LLCLAYRMEMDIRN-UHFFFAOYSA-N 2 2 261.373 1.089 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001372527375 973000114 /nfs/dbraw/zinc/00/01/14/973000114.db2.gz VIQRARLMWHVMOP-AWEZNQCLSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001372527375 973000119 /nfs/dbraw/zinc/00/01/19/973000119.db2.gz VIQRARLMWHVMOP-AWEZNQCLSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001372527375 973000127 /nfs/dbraw/zinc/00/01/27/973000127.db2.gz VIQRARLMWHVMOP-AWEZNQCLSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001372527375 973000133 /nfs/dbraw/zinc/00/01/33/973000133.db2.gz VIQRARLMWHVMOP-AWEZNQCLSA-N 2 2 299.846 1.804 20 30 CDEDLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001418286669 973728625 /nfs/dbraw/zinc/72/86/25/973728625.db2.gz SJYLGNOYUWQWJA-LBPRGKRZSA-N 2 2 297.362 1.118 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001389455888 975835794 /nfs/dbraw/zinc/83/57/94/975835794.db2.gz FJFSQARODFJWFG-OLZOCXBDSA-N 2 2 287.835 1.516 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001389455888 975835809 /nfs/dbraw/zinc/83/58/09/975835809.db2.gz FJFSQARODFJWFG-OLZOCXBDSA-N 2 2 287.835 1.516 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000564857656 365529806 /nfs/dbraw/zinc/52/98/06/365529806.db2.gz OFPJNBLVASRCCU-AEFFLSMTSA-N 2 2 299.418 1.980 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000564857656 365529812 /nfs/dbraw/zinc/52/98/12/365529812.db2.gz OFPJNBLVASRCCU-AEFFLSMTSA-N 2 2 299.418 1.980 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635530649 361769366 /nfs/dbraw/zinc/76/93/66/361769366.db2.gz GRSVPJIFYZCOLK-CHWSQXEVSA-N 2 2 274.368 1.280 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635530649 361769369 /nfs/dbraw/zinc/76/93/69/361769369.db2.gz GRSVPJIFYZCOLK-CHWSQXEVSA-N 2 2 274.368 1.280 20 30 CDEDLP CC[N@H+](C)C[C@H](O)C[NH+](C)Cc1cccc(C#N)c1 ZINC000311973620 342166121 /nfs/dbraw/zinc/16/61/21/342166121.db2.gz PJOPQQHMSLAXJV-HNNXBMFYSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1cccc(C#N)c1 ZINC000311973620 342166122 /nfs/dbraw/zinc/16/61/22/342166122.db2.gz PJOPQQHMSLAXJV-HNNXBMFYSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000311973620 342166123 /nfs/dbraw/zinc/16/61/23/342166123.db2.gz PJOPQQHMSLAXJV-HNNXBMFYSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000311973620 342166124 /nfs/dbraw/zinc/16/61/24/342166124.db2.gz PJOPQQHMSLAXJV-HNNXBMFYSA-N 2 2 261.369 1.303 20 30 CDEDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C#N)cc1 ZINC000596654441 343372326 /nfs/dbraw/zinc/37/23/26/343372326.db2.gz OOZRQDOLWFZNNV-SNVBAGLBSA-N 2 2 283.335 1.363 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000565888998 365742914 /nfs/dbraw/zinc/74/29/14/365742914.db2.gz UJMVBIIJZNJUAT-LLVKDONJSA-N 2 2 265.382 1.164 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000565888998 365742921 /nfs/dbraw/zinc/74/29/21/365742921.db2.gz UJMVBIIJZNJUAT-LLVKDONJSA-N 2 2 265.382 1.164 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000602527706 344454794 /nfs/dbraw/zinc/45/47/94/344454794.db2.gz RSBWPFWZAAGUOU-ZDUSSCGKSA-N 2 2 253.390 1.363 20 30 CDEDLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602545496 344461750 /nfs/dbraw/zinc/46/17/50/344461750.db2.gz DKHCYJAGCIJPJC-GJZGRUSLSA-N 2 2 295.427 1.396 20 30 CDEDLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602545496 344461753 /nfs/dbraw/zinc/46/17/53/344461753.db2.gz DKHCYJAGCIJPJC-GJZGRUSLSA-N 2 2 295.427 1.396 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[NH+]1CCCC1 ZINC000602584857 344477046 /nfs/dbraw/zinc/47/70/46/344477046.db2.gz BVYGTJWKZSXDJF-AWEZNQCLSA-N 2 2 265.401 1.771 20 30 CDEDLP COC1CC[NH+](CC[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602591296 344479997 /nfs/dbraw/zinc/47/99/97/344479997.db2.gz YOVSIXPUYOVQQC-CYBMUJFWSA-N 2 2 253.390 1.627 20 30 CDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(C#N)n3)CC2)C1 ZINC000602471529 350112912 /nfs/dbraw/zinc/11/29/12/350112912.db2.gz AUPIWSQFUJTTEW-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(C#N)n3)CC2)C1 ZINC000602471529 350112913 /nfs/dbraw/zinc/11/29/13/350112913.db2.gz AUPIWSQFUJTTEW-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP C=CC[C@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085345 351410667 /nfs/dbraw/zinc/41/06/67/351410667.db2.gz OJOVKJRLHLVNEP-IHRRRGAJSA-N 2 2 267.417 1.517 20 30 CDEDLP C=CC[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085345 351410670 /nfs/dbraw/zinc/41/06/70/351410670.db2.gz OJOVKJRLHLVNEP-IHRRRGAJSA-N 2 2 267.417 1.517 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000228724113 358956907 /nfs/dbraw/zinc/95/69/07/358956907.db2.gz GAKOTHQCHOHYCH-MRXNPFEDSA-N 2 2 276.380 1.101 20 30 CDEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cn3)C2)C1 ZINC000571341441 359566371 /nfs/dbraw/zinc/56/63/71/359566371.db2.gz LGKMJVMFOOWKDP-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cn3)C2)C1 ZINC000571341441 359566377 /nfs/dbraw/zinc/56/63/77/359566377.db2.gz LGKMJVMFOOWKDP-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000571341441 359566381 /nfs/dbraw/zinc/56/63/81/359566381.db2.gz LGKMJVMFOOWKDP-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000571341441 359566385 /nfs/dbraw/zinc/56/63/85/359566385.db2.gz LGKMJVMFOOWKDP-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314978845 360425549 /nfs/dbraw/zinc/42/55/49/360425549.db2.gz QBUBTTCHXPVXNC-NSHDSACASA-N 2 2 295.408 1.535 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314978845 360425553 /nfs/dbraw/zinc/42/55/53/360425553.db2.gz QBUBTTCHXPVXNC-NSHDSACASA-N 2 2 295.408 1.535 20 30 CDEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000562391503 361368168 /nfs/dbraw/zinc/36/81/68/361368168.db2.gz HFXTWDAIMARIPB-UHFFFAOYSA-N 2 2 270.380 1.939 20 30 CDEDLP C=CC[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000496373201 366791676 /nfs/dbraw/zinc/79/16/76/366791676.db2.gz GUOMDWQMJAECLR-INIZCTEOSA-N 2 2 291.395 1.511 20 30 CDEDLP C=CC[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000496373201 366791680 /nfs/dbraw/zinc/79/16/80/366791680.db2.gz GUOMDWQMJAECLR-INIZCTEOSA-N 2 2 291.395 1.511 20 30 CDEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000305099208 370860271 /nfs/dbraw/zinc/86/02/71/370860271.db2.gz XABQSRYQMXJXEF-JKSUJKDBSA-N 2 2 282.428 1.358 20 30 CDEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000305099208 370860274 /nfs/dbraw/zinc/86/02/74/370860274.db2.gz XABQSRYQMXJXEF-JKSUJKDBSA-N 2 2 282.428 1.358 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000292828964 374309983 /nfs/dbraw/zinc/30/99/83/374309983.db2.gz QXXVEPNWZMHVKG-OAHLLOKOSA-N 2 2 258.369 1.424 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000292828964 374309986 /nfs/dbraw/zinc/30/99/86/374309986.db2.gz QXXVEPNWZMHVKG-OAHLLOKOSA-N 2 2 258.369 1.424 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000292828964 374309990 /nfs/dbraw/zinc/30/99/90/374309990.db2.gz QXXVEPNWZMHVKG-OAHLLOKOSA-N 2 2 258.369 1.424 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000292828964 374309992 /nfs/dbraw/zinc/30/99/92/374309992.db2.gz QXXVEPNWZMHVKG-OAHLLOKOSA-N 2 2 258.369 1.424 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874237 378101954 /nfs/dbraw/zinc/10/19/54/378101954.db2.gz PCOGLOXOSVMYRO-UHFFFAOYSA-N 2 2 253.390 1.104 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874237 378101961 /nfs/dbraw/zinc/10/19/61/378101961.db2.gz PCOGLOXOSVMYRO-UHFFFAOYSA-N 2 2 253.390 1.104 20 30 CDEDLP CN(C(=O)C(C)(C)C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370817545 390553631 /nfs/dbraw/zinc/55/36/31/390553631.db2.gz CTOQBTCOWWMCFQ-CQSZACIVSA-N 2 2 292.427 1.163 20 30 CDEDLP CN(C(=O)C(C)(C)C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370817545 390553636 /nfs/dbraw/zinc/55/36/36/390553636.db2.gz CTOQBTCOWWMCFQ-CQSZACIVSA-N 2 2 292.427 1.163 20 30 CDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCCC1 ZINC000262145377 391024410 /nfs/dbraw/zinc/02/44/10/391024410.db2.gz QJQSWRUXQQMVPC-UHFFFAOYSA-N 2 2 261.373 1.391 20 30 CDEDLP CC(C)CNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000303786357 391134654 /nfs/dbraw/zinc/13/46/54/391134654.db2.gz RHSUAKUUHDUHCK-UHFFFAOYSA-N 2 2 296.459 1.582 20 30 CDEDLP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000330397102 391414873 /nfs/dbraw/zinc/41/48/73/391414873.db2.gz BQGAAWWQPXNLFI-GFCCVEGCSA-N 2 2 279.388 1.156 20 30 CDEDLP CC[N@H+]1CCC[C@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000330397102 391414876 /nfs/dbraw/zinc/41/48/76/391414876.db2.gz BQGAAWWQPXNLFI-GFCCVEGCSA-N 2 2 279.388 1.156 20 30 CDEDLP CC#CCCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000362298341 391718022 /nfs/dbraw/zinc/71/80/22/391718022.db2.gz UXAYDSIDZXKVJU-UHFFFAOYSA-N 2 2 293.455 1.664 20 30 CDEDLP CC#CCCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000362298341 391718025 /nfs/dbraw/zinc/71/80/25/391718025.db2.gz UXAYDSIDZXKVJU-UHFFFAOYSA-N 2 2 293.455 1.664 20 30 CDEDLP Cn1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)cc1C#N ZINC000190742227 130142684 /nfs/dbraw/zinc/14/26/84/130142684.db2.gz PDXUVMBGMIJPTF-UHFFFAOYSA-N 2 2 279.347 1.877 20 30 CDEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@@H+]1C ZINC000191398714 130231451 /nfs/dbraw/zinc/23/14/51/130231451.db2.gz XYFUKWGCPRMBCN-OCCSQVGLSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@H+]1C ZINC000191398714 130231455 /nfs/dbraw/zinc/23/14/55/130231455.db2.gz XYFUKWGCPRMBCN-OCCSQVGLSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1C ZINC000191398714 130231458 /nfs/dbraw/zinc/23/14/58/130231458.db2.gz XYFUKWGCPRMBCN-OCCSQVGLSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1C ZINC000191398714 130231460 /nfs/dbraw/zinc/23/14/60/130231460.db2.gz XYFUKWGCPRMBCN-OCCSQVGLSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[N@@H+]1CCc2sccc2C1 ZINC000262674157 391810253 /nfs/dbraw/zinc/81/02/53/391810253.db2.gz SKVBKIGIMGGCAH-GHMZBOCLSA-N 2 2 278.425 1.432 20 30 CDEDLP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[N@H+]1CCc2sccc2C1 ZINC000262674157 391810256 /nfs/dbraw/zinc/81/02/56/391810256.db2.gz SKVBKIGIMGGCAH-GHMZBOCLSA-N 2 2 278.425 1.432 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1C#N ZINC000335836258 151061019 /nfs/dbraw/zinc/06/10/19/151061019.db2.gz FGOIAEPUFRILNO-UKRRQHHQSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1C#N ZINC000335836258 151061021 /nfs/dbraw/zinc/06/10/21/151061021.db2.gz FGOIAEPUFRILNO-UKRRQHHQSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1C#N ZINC000335836258 151061023 /nfs/dbraw/zinc/06/10/23/151061023.db2.gz FGOIAEPUFRILNO-UKRRQHHQSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1C#N ZINC000335836258 151061024 /nfs/dbraw/zinc/06/10/24/151061024.db2.gz FGOIAEPUFRILNO-UKRRQHHQSA-N 2 2 258.369 1.423 20 30 CDEDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000346133583 153064358 /nfs/dbraw/zinc/06/43/58/153064358.db2.gz JQYDMYRYUJZFFM-GXFFZTMASA-N 2 2 265.332 1.270 20 30 CDEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000359730404 158353065 /nfs/dbraw/zinc/35/30/65/158353065.db2.gz MFCUWBGUQMIUBN-ZDUSSCGKSA-N 2 2 276.384 1.097 20 30 CDEDLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000293113171 263138008 /nfs/dbraw/zinc/13/80/08/263138008.db2.gz OTVVILFPDCYWJZ-KGLIPLIRSA-N 2 2 286.379 1.904 20 30 CDEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000525885709 265032290 /nfs/dbraw/zinc/03/22/90/265032290.db2.gz GTZAKFYFOUGQPA-LBPRGKRZSA-N 2 2 287.367 1.152 20 30 CDEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000525885709 265032291 /nfs/dbraw/zinc/03/22/91/265032291.db2.gz GTZAKFYFOUGQPA-LBPRGKRZSA-N 2 2 287.367 1.152 20 30 CDEDLP C#CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285934150 275382735 /nfs/dbraw/zinc/38/27/35/275382735.db2.gz LWHJUDBVRPGNGO-SFHVURJKSA-N 2 2 283.419 1.512 20 30 CDEDLP C#CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285934150 275382736 /nfs/dbraw/zinc/38/27/36/275382736.db2.gz LWHJUDBVRPGNGO-SFHVURJKSA-N 2 2 283.419 1.512 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000424133969 330266345 /nfs/dbraw/zinc/26/63/45/330266345.db2.gz NATJMNSEZJCEOQ-CQSZACIVSA-N 2 2 283.335 1.832 20 30 CDEDLP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753634972 1159864831 /nfs/dbraw/zinc/86/48/31/1159864831.db2.gz VVLVIHQYXHAHRW-KBPBESRZSA-N 2 2 278.400 1.752 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000729355602 574753804 /nfs/dbraw/zinc/75/38/04/574753804.db2.gz VEKDTQSLYAMIFL-OAHLLOKOSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000730098576 574849318 /nfs/dbraw/zinc/84/93/18/574849318.db2.gz JTFMUYZGCJRONI-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000730098576 574849320 /nfs/dbraw/zinc/84/93/20/574849320.db2.gz JTFMUYZGCJRONI-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP CCOc1ccc(/C=[NH+]\CCN2CC[NH+](C)CC2)c(O)c1 ZINC000769727290 575379109 /nfs/dbraw/zinc/37/91/09/575379109.db2.gz FBVQBDRQGQAKHF-LGMDPLHJSA-N 2 2 291.395 1.457 20 30 CDEDLP C(=NNCC[NH+]1CCCCC1)c1cccc2[nH+]ccn21 ZINC000771097003 575548791 /nfs/dbraw/zinc/54/87/91/575548791.db2.gz IAKHIGQWTMXDOQ-UHFFFAOYSA-N 2 2 271.368 1.744 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000757575646 577043243 /nfs/dbraw/zinc/04/32/43/577043243.db2.gz JWIYXVQPJMFAMI-IRXDYDNUSA-N 2 2 297.402 1.387 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000757575646 577043245 /nfs/dbraw/zinc/04/32/45/577043245.db2.gz JWIYXVQPJMFAMI-IRXDYDNUSA-N 2 2 297.402 1.387 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000757575646 577043247 /nfs/dbraw/zinc/04/32/47/577043247.db2.gz JWIYXVQPJMFAMI-IRXDYDNUSA-N 2 2 297.402 1.387 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000757575646 577043250 /nfs/dbraw/zinc/04/32/50/577043250.db2.gz JWIYXVQPJMFAMI-IRXDYDNUSA-N 2 2 297.402 1.387 20 30 CDEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981222535 612957928 /nfs/dbraw/zinc/95/79/28/612957928.db2.gz COGKDCNRYMKHLU-ZIAGYGMSSA-N 2 2 296.374 1.598 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947981266 613017394 /nfs/dbraw/zinc/01/73/94/613017394.db2.gz UOBHFQSUESBNLQ-TZMCWYRMSA-N 2 2 288.395 1.253 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947981266 613017395 /nfs/dbraw/zinc/01/73/95/613017395.db2.gz UOBHFQSUESBNLQ-TZMCWYRMSA-N 2 2 288.395 1.253 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC ZINC000968893487 613199137 /nfs/dbraw/zinc/19/91/37/613199137.db2.gz LKYTWQKKQZSFCW-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC ZINC000968893487 613199139 /nfs/dbraw/zinc/19/91/39/613199139.db2.gz LKYTWQKKQZSFCW-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC ZINC000968893487 613199141 /nfs/dbraw/zinc/19/91/41/613199141.db2.gz LKYTWQKKQZSFCW-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC ZINC000968893487 613199142 /nfs/dbraw/zinc/19/91/42/613199142.db2.gz LKYTWQKKQZSFCW-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C=C(C)CC[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000957511748 613257815 /nfs/dbraw/zinc/25/78/15/613257815.db2.gz KVMAIVOCKPLBBJ-UHFFFAOYSA-N 2 2 290.411 1.463 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971810926 613632115 /nfs/dbraw/zinc/63/21/15/613632115.db2.gz LFIHGWMVTUXCJX-KGLIPLIRSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971810926 613632116 /nfs/dbraw/zinc/63/21/16/613632116.db2.gz LFIHGWMVTUXCJX-KGLIPLIRSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000948850053 613707467 /nfs/dbraw/zinc/70/74/67/613707467.db2.gz DQOWRONVXVEHES-CQSZACIVSA-N 2 2 265.401 1.191 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000948850053 613707470 /nfs/dbraw/zinc/70/74/70/613707470.db2.gz DQOWRONVXVEHES-CQSZACIVSA-N 2 2 265.401 1.191 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947758117 613744074 /nfs/dbraw/zinc/74/40/74/613744074.db2.gz IMDSUXHQIKENEF-VXGBXAGGSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947758117 613744076 /nfs/dbraw/zinc/74/40/76/613744076.db2.gz IMDSUXHQIKENEF-VXGBXAGGSA-N 2 2 262.357 1.107 20 30 CDEDLP CCC(CC)[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCOCC1 ZINC000104160325 617699169 /nfs/dbraw/zinc/69/91/69/617699169.db2.gz LAKBTXGRLDLXJA-AWEZNQCLSA-N 2 2 298.475 1.826 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488172 1162638437 /nfs/dbraw/zinc/63/84/37/1162638437.db2.gz NNURVCJCGCCSTH-KBPBESRZSA-N 2 2 290.411 1.506 20 30 CDEDLP C#CCC[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131560330 1162955184 /nfs/dbraw/zinc/95/51/84/1162955184.db2.gz IOUQPBIDJBDSKR-UHFFFAOYSA-N 2 2 259.353 1.350 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(OCCC#N)cc2)CC1 ZINC001168740138 1161491146 /nfs/dbraw/zinc/49/11/46/1161491146.db2.gz FBXQNXOQOODDEN-UHFFFAOYSA-N 2 2 287.367 1.573 20 30 CDEDLP C[NH2+]CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC001578704795 1171984933 /nfs/dbraw/zinc/98/49/33/1171984933.db2.gz GWLXXBFVLZKIHZ-UHFFFAOYSA-N 2 2 288.395 1.817 20 30 CDEDLP C[NH2+]CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC001578704795 1171984940 /nfs/dbraw/zinc/98/49/40/1171984940.db2.gz GWLXXBFVLZKIHZ-UHFFFAOYSA-N 2 2 288.395 1.817 20 30 CDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001692152525 1175683944 /nfs/dbraw/zinc/68/39/44/1175683944.db2.gz GRUFNUIWUQMFGW-CABCVRRESA-N 2 2 288.395 1.438 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001692152525 1175683947 /nfs/dbraw/zinc/68/39/47/1175683947.db2.gz GRUFNUIWUQMFGW-CABCVRRESA-N 2 2 288.395 1.438 20 30 CDEDLP C=C(C)C[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001752493775 1184871973 /nfs/dbraw/zinc/87/19/73/1184871973.db2.gz IXUFWVPPXDKXKP-CQSZACIVSA-N 2 2 276.384 1.321 20 30 CDEDLP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001752882307 1184948813 /nfs/dbraw/zinc/94/88/13/1184948813.db2.gz SBQDLTSTLIAPDS-CHWSQXEVSA-N 2 2 276.384 1.116 20 30 CDEDLP C=CCCC[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001754242933 1185526483 /nfs/dbraw/zinc/52/64/83/1185526483.db2.gz UPRXVNFKKYZZNU-LLVKDONJSA-N 2 2 250.346 1.013 20 30 CDEDLP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001755201834 1185853264 /nfs/dbraw/zinc/85/32/64/1185853264.db2.gz WUIFPNIQJZKIBA-AWEZNQCLSA-N 2 2 290.411 1.760 20 30 CDEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001755201834 1185853269 /nfs/dbraw/zinc/85/32/69/1185853269.db2.gz WUIFPNIQJZKIBA-AWEZNQCLSA-N 2 2 290.411 1.760 20 30 CDEDLP C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001755319949 1185915000 /nfs/dbraw/zinc/91/50/00/1185915000.db2.gz VRNYKXWPACOIDH-CHWSQXEVSA-N 2 2 278.400 1.743 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001755319949 1185915006 /nfs/dbraw/zinc/91/50/06/1185915006.db2.gz VRNYKXWPACOIDH-CHWSQXEVSA-N 2 2 278.400 1.743 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001755656612 1186027256 /nfs/dbraw/zinc/02/72/56/1186027256.db2.gz QTJOYWNMHZYQHT-GXTWGEPZSA-N 2 2 296.374 1.779 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033884493 783721530 /nfs/dbraw/zinc/72/15/30/783721530.db2.gz AEXMYDRLMNYSJR-OAHLLOKOSA-N 2 2 296.374 1.504 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033884493 783721532 /nfs/dbraw/zinc/72/15/32/783721532.db2.gz AEXMYDRLMNYSJR-OAHLLOKOSA-N 2 2 296.374 1.504 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027649221 783989044 /nfs/dbraw/zinc/98/90/44/783989044.db2.gz FWXHESQCYILCRF-AWEZNQCLSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027649221 783989051 /nfs/dbraw/zinc/98/90/51/783989051.db2.gz FWXHESQCYILCRF-AWEZNQCLSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046634942 784391001 /nfs/dbraw/zinc/39/10/01/784391001.db2.gz KAHLYTIISUCWCM-XJKCOSOUSA-N 2 2 288.395 1.290 20 30 CDEDLP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046634942 784391008 /nfs/dbraw/zinc/39/10/08/784391008.db2.gz KAHLYTIISUCWCM-XJKCOSOUSA-N 2 2 288.395 1.290 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000987348293 784624994 /nfs/dbraw/zinc/62/49/94/784624994.db2.gz MEJUWNBOTHLCIT-TZMCWYRMSA-N 2 2 276.384 1.118 20 30 CDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803621 784947603 /nfs/dbraw/zinc/94/76/03/784947603.db2.gz GPJOCHWSPSGLLV-HRCADAONSA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803621 784947615 /nfs/dbraw/zinc/94/76/15/784947615.db2.gz GPJOCHWSPSGLLV-HRCADAONSA-N 2 2 289.423 1.025 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874892069 785399802 /nfs/dbraw/zinc/39/98/02/785399802.db2.gz ZIZUIYFQXRDHPZ-OAHLLOKOSA-N 2 2 291.370 1.416 20 30 CDEDLP C=CC[NH+]1CCC(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001006348092 785801894 /nfs/dbraw/zinc/80/18/94/785801894.db2.gz NMVLLSMWTBWJPC-UHFFFAOYSA-N 2 2 276.384 1.369 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749856 785838401 /nfs/dbraw/zinc/83/84/01/785838401.db2.gz GJGPNGQKWSYRJJ-HUUCEWRRSA-N 2 2 286.379 1.041 20 30 CDEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817917423 785862994 /nfs/dbraw/zinc/86/29/94/785862994.db2.gz GHVYCQBPCAZWBE-ZFWWWQNUSA-N 2 2 289.379 1.446 20 30 CDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803622 786037797 /nfs/dbraw/zinc/03/77/97/786037797.db2.gz GPJOCHWSPSGLLV-JYJNAYRXSA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803622 786037801 /nfs/dbraw/zinc/03/78/01/786037801.db2.gz GPJOCHWSPSGLLV-JYJNAYRXSA-N 2 2 289.423 1.025 20 30 CDEDLP CNC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183887494 786047179 /nfs/dbraw/zinc/04/71/79/786047179.db2.gz OXZBKHUOOFOXGV-NSHDSACASA-N 2 2 288.317 1.842 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015016987 786066654 /nfs/dbraw/zinc/06/66/54/786066654.db2.gz ZFDFZDUJRZUXPQ-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015016987 786066664 /nfs/dbraw/zinc/06/66/64/786066664.db2.gz ZFDFZDUJRZUXPQ-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744360 786093355 /nfs/dbraw/zinc/09/33/55/786093355.db2.gz SCKCOJZDUCBBSL-HAQNSBGRSA-N 2 2 296.802 1.722 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030441473 787043258 /nfs/dbraw/zinc/04/32/58/787043258.db2.gz AHWCMCJFTZLJJD-HNNXBMFYSA-N 2 2 279.428 1.626 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030441473 787043268 /nfs/dbraw/zinc/04/32/68/787043268.db2.gz AHWCMCJFTZLJJD-HNNXBMFYSA-N 2 2 279.428 1.626 20 30 CDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001017946292 787051137 /nfs/dbraw/zinc/05/11/37/787051137.db2.gz UVCVLWPTNFASPX-HRCADAONSA-N 2 2 289.423 1.027 20 30 CDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001017946292 787051149 /nfs/dbraw/zinc/05/11/49/787051149.db2.gz UVCVLWPTNFASPX-HRCADAONSA-N 2 2 289.423 1.027 20 30 CDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001017946292 787051170 /nfs/dbraw/zinc/05/11/70/787051170.db2.gz UVCVLWPTNFASPX-HRCADAONSA-N 2 2 289.423 1.027 20 30 CDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001017946292 787051179 /nfs/dbraw/zinc/05/11/79/787051179.db2.gz UVCVLWPTNFASPX-HRCADAONSA-N 2 2 289.423 1.027 20 30 CDEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)N1CCCCC1 ZINC000170905311 787483762 /nfs/dbraw/zinc/48/37/62/787483762.db2.gz BONZSTKKHLGBBF-UHFFFAOYSA-N 2 2 261.373 1.684 20 30 CDEDLP Cc1cccn2cc(CCNC3=[NH+]C[C@@H](C)N3)[nH+]c12 ZINC000849003235 787714903 /nfs/dbraw/zinc/71/49/03/787714903.db2.gz YRXLYBDRTJCFNG-LLVKDONJSA-N 2 2 257.341 1.123 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001042718941 787830750 /nfs/dbraw/zinc/83/07/50/787830750.db2.gz XREFKQTUNOPJRL-HUUCEWRRSA-N 2 2 291.439 1.580 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001042718941 787830751 /nfs/dbraw/zinc/83/07/51/787830751.db2.gz XREFKQTUNOPJRL-HUUCEWRRSA-N 2 2 291.439 1.580 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999048506 787831248 /nfs/dbraw/zinc/83/12/48/787831248.db2.gz XFNSRFMORWWBNG-CYBMUJFWSA-N 2 2 276.384 1.499 20 30 CDEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027609745 787843668 /nfs/dbraw/zinc/84/36/68/787843668.db2.gz FFNQEGQSNRJPID-HIFRSBDPSA-N 2 2 288.395 1.144 20 30 CDEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027609745 787843669 /nfs/dbraw/zinc/84/36/69/787843669.db2.gz FFNQEGQSNRJPID-HIFRSBDPSA-N 2 2 288.395 1.144 20 30 CDEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001038258538 787863086 /nfs/dbraw/zinc/86/30/86/787863086.db2.gz GDWJCWZICMYFFP-KGLIPLIRSA-N 2 2 265.401 1.236 20 30 CDEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038258538 787863092 /nfs/dbraw/zinc/86/30/92/787863092.db2.gz GDWJCWZICMYFFP-KGLIPLIRSA-N 2 2 265.401 1.236 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038258538 787863093 /nfs/dbraw/zinc/86/30/93/787863093.db2.gz GDWJCWZICMYFFP-KGLIPLIRSA-N 2 2 265.401 1.236 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038258538 787863094 /nfs/dbraw/zinc/86/30/94/787863094.db2.gz GDWJCWZICMYFFP-KGLIPLIRSA-N 2 2 265.401 1.236 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992530154 787984798 /nfs/dbraw/zinc/98/47/98/787984798.db2.gz JMWOZRJJKNKBIQ-HOCLYGCPSA-N 2 2 286.379 1.020 20 30 CDEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992530154 787984833 /nfs/dbraw/zinc/98/48/33/787984833.db2.gz JMWOZRJJKNKBIQ-HOCLYGCPSA-N 2 2 286.379 1.020 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008982458 788009494 /nfs/dbraw/zinc/00/94/94/788009494.db2.gz TWYSOHZDJGHQMM-MRXNPFEDSA-N 2 2 291.439 1.322 20 30 CDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008982458 788009503 /nfs/dbraw/zinc/00/95/03/788009503.db2.gz TWYSOHZDJGHQMM-MRXNPFEDSA-N 2 2 291.439 1.322 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049625958 788022321 /nfs/dbraw/zinc/02/23/21/788022321.db2.gz NZKIHZNGALTOHD-HUUCEWRRSA-N 2 2 288.395 1.525 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049625958 788022334 /nfs/dbraw/zinc/02/23/34/788022334.db2.gz NZKIHZNGALTOHD-HUUCEWRRSA-N 2 2 288.395 1.525 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989612290 788062346 /nfs/dbraw/zinc/06/23/46/788062346.db2.gz KSZTZGSGSGLFCM-RYUDHWBXSA-N 2 2 262.357 1.107 20 30 CDEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCS[C@@H](C(C)C)C1 ZINC000261726452 788974644 /nfs/dbraw/zinc/97/46/44/788974644.db2.gz IYNIEHUUVHPYKJ-CYBMUJFWSA-N 2 2 284.473 1.341 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cncc(OC)c1C ZINC000883131053 789282817 /nfs/dbraw/zinc/28/28/17/789282817.db2.gz DOGNGJKYIXLZLK-UHFFFAOYSA-N 2 2 261.369 1.443 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cncc(OC)c1C ZINC000883131053 789282845 /nfs/dbraw/zinc/28/28/45/789282845.db2.gz DOGNGJKYIXLZLK-UHFFFAOYSA-N 2 2 261.369 1.443 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001019212903 789369276 /nfs/dbraw/zinc/36/92/76/789369276.db2.gz SUZJYOIMSPZBRU-ZDUSSCGKSA-N 2 2 262.357 1.040 20 30 CDEDLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC001208613709 894190281 /nfs/dbraw/zinc/19/02/81/894190281.db2.gz YNCMSIHZZBIQKQ-MRXNPFEDSA-N 2 2 299.422 1.417 20 30 CDEDLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC001208613709 894190288 /nfs/dbraw/zinc/19/02/88/894190288.db2.gz YNCMSIHZZBIQKQ-MRXNPFEDSA-N 2 2 299.422 1.417 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001020877328 894710547 /nfs/dbraw/zinc/71/05/47/894710547.db2.gz PINFXKHMSMMCNZ-JOCQHMNTSA-N 2 2 297.362 1.304 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528755 896708632 /nfs/dbraw/zinc/70/86/32/896708632.db2.gz IVSJQOHEKPRFGP-UHFFFAOYSA-N 2 2 262.357 1.014 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106712714 914171704 /nfs/dbraw/zinc/17/17/04/914171704.db2.gz IXLRPLAOHBTLLX-RBSFLKMASA-N 2 2 290.411 1.704 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCF)[C@@H]1CC ZINC001087607016 905719667 /nfs/dbraw/zinc/71/96/67/905719667.db2.gz GFDSRANIOGNPDQ-ZNMIVQPWSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCF)[C@@H]1CC ZINC001087607016 905719678 /nfs/dbraw/zinc/71/96/78/905719678.db2.gz GFDSRANIOGNPDQ-ZNMIVQPWSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCF)[C@@H]1CC ZINC001087607016 905719688 /nfs/dbraw/zinc/71/96/88/905719688.db2.gz GFDSRANIOGNPDQ-ZNMIVQPWSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCF)[C@@H]1CC ZINC001087607016 905719697 /nfs/dbraw/zinc/71/96/97/905719697.db2.gz GFDSRANIOGNPDQ-ZNMIVQPWSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[NH+]1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760191 910935268 /nfs/dbraw/zinc/93/52/68/910935268.db2.gz RUNSBTYLJVAUBY-HKUYNNGSSA-N 2 2 297.446 1.900 20 30 CDEDLP C#CC[NH+]1CCN([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171760191 910935281 /nfs/dbraw/zinc/93/52/81/910935281.db2.gz RUNSBTYLJVAUBY-HKUYNNGSSA-N 2 2 297.446 1.900 20 30 CDEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001172309205 911550450 /nfs/dbraw/zinc/55/04/50/911550450.db2.gz RYFYLCPNHBLSCC-CQSZACIVSA-N 2 2 287.407 1.536 20 30 CDEDLP C#CC[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649774 915547263 /nfs/dbraw/zinc/54/72/63/915547263.db2.gz ZGPHHXKKJFUTBV-UHFFFAOYSA-N 2 2 276.384 1.242 20 30 CDEDLP C#CC[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649774 915547278 /nfs/dbraw/zinc/54/72/78/915547278.db2.gz ZGPHHXKKJFUTBV-UHFFFAOYSA-N 2 2 276.384 1.242 20 30 CDEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182751267 918091576 /nfs/dbraw/zinc/09/15/76/918091576.db2.gz XIGLCQRARCDWLU-CZUORRHYSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001185967925 919832716 /nfs/dbraw/zinc/83/27/16/919832716.db2.gz FNBAKFQIYGIMJR-HUUCEWRRSA-N 2 2 290.411 1.991 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085628797 926230016 /nfs/dbraw/zinc/23/00/16/926230016.db2.gz FZWDKEGMEYJMJL-HUUCEWRRSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085628797 926230024 /nfs/dbraw/zinc/23/00/24/926230024.db2.gz FZWDKEGMEYJMJL-HUUCEWRRSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085628797 926230032 /nfs/dbraw/zinc/23/00/32/926230032.db2.gz FZWDKEGMEYJMJL-HUUCEWRRSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085628797 926230040 /nfs/dbraw/zinc/23/00/40/926230040.db2.gz FZWDKEGMEYJMJL-HUUCEWRRSA-N 2 2 277.412 1.027 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643226 937149523 /nfs/dbraw/zinc/14/95/23/937149523.db2.gz GXJXFSCZSPOREZ-ZIAGYGMSSA-N 2 2 290.411 1.223 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643226 937149525 /nfs/dbraw/zinc/14/95/25/937149525.db2.gz GXJXFSCZSPOREZ-ZIAGYGMSSA-N 2 2 290.411 1.223 20 30 CDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109218654 928840292 /nfs/dbraw/zinc/84/02/92/928840292.db2.gz QHPVIOGDYJYETI-RDBSUJKOSA-N 2 2 286.379 1.087 20 30 CDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109218654 928840302 /nfs/dbraw/zinc/84/03/02/928840302.db2.gz QHPVIOGDYJYETI-RDBSUJKOSA-N 2 2 286.379 1.087 20 30 CDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581370 928977780 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CC(C)CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000754282685 576890112 /nfs/dbraw/zinc/89/01/12/576890112.db2.gz ZWHPGQCUEJWVQH-UHFFFAOYSA-N 2 2 291.395 1.812 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957782502 613010079 /nfs/dbraw/zinc/01/00/79/613010079.db2.gz GCLODGRHNUTVAS-INIZCTEOSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CC2)C1 ZINC000950533506 613194391 /nfs/dbraw/zinc/19/43/91/613194391.db2.gz IMUJXNQSJHMXGC-INIZCTEOSA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CC2)C1 ZINC000950533506 613194393 /nfs/dbraw/zinc/19/43/93/613194393.db2.gz IMUJXNQSJHMXGC-INIZCTEOSA-N 2 2 289.423 1.027 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617695 613289348 /nfs/dbraw/zinc/28/93/48/613289348.db2.gz FCHXEZZPIUXUFO-LBPRGKRZSA-N 2 2 262.357 1.061 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617695 613289349 /nfs/dbraw/zinc/28/93/49/613289349.db2.gz 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C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042386053 795384225 /nfs/dbraw/zinc/38/42/25/795384225.db2.gz ZSECZZWLDAKJGY-CABCVRRESA-N 2 2 288.395 1.382 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042386053 795384234 /nfs/dbraw/zinc/38/42/34/795384234.db2.gz ZSECZZWLDAKJGY-CABCVRRESA-N 2 2 288.395 1.382 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994297496 795416649 /nfs/dbraw/zinc/41/66/49/795416649.db2.gz GVTVRQIUABOWQG-QWHCGFSZSA-N 2 2 276.384 1.416 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994297496 795416666 /nfs/dbraw/zinc/41/66/66/795416666.db2.gz GVTVRQIUABOWQG-QWHCGFSZSA-N 2 2 276.384 1.416 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC ZINC001037944859 795583794 /nfs/dbraw/zinc/58/37/94/795583794.db2.gz XHBYPQWHBNBLLA-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000126619796 796136682 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C[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)C[N@@H+]1Cc1ccccc1 ZINC001171753928 910930270 /nfs/dbraw/zinc/93/02/70/910930270.db2.gz YPTVMGKXMKBORZ-DJIMGWMZSA-N 2 2 284.407 1.447 20 30 CDEDLP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)C[N@H+]1Cc1ccccc1 ZINC001171753928 910930290 /nfs/dbraw/zinc/93/02/90/910930290.db2.gz YPTVMGKXMKBORZ-DJIMGWMZSA-N 2 2 284.407 1.447 20 30 CDEDLP C=CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122445 911314532 /nfs/dbraw/zinc/31/45/32/911314532.db2.gz QQRMBOWVDXUUAV-ZSHCYNCHSA-N 2 2 263.429 1.805 20 30 CDEDLP C=CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122445 911314552 /nfs/dbraw/zinc/31/45/52/911314552.db2.gz QQRMBOWVDXUUAV-ZSHCYNCHSA-N 2 2 263.429 1.805 20 30 CDEDLP C=CCN1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122445 911314571 /nfs/dbraw/zinc/31/45/71/911314571.db2.gz QQRMBOWVDXUUAV-ZSHCYNCHSA-N 2 2 263.429 1.805 20 30 CDEDLP C=CCN1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122445 911314590 /nfs/dbraw/zinc/31/45/90/911314590.db2.gz QQRMBOWVDXUUAV-ZSHCYNCHSA-N 2 2 263.429 1.805 20 30 CDEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179690055 915926822 /nfs/dbraw/zinc/92/68/22/915926822.db2.gz YNFSYUMHOIKNIC-UHFFFAOYSA-N 2 2 298.818 1.971 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000544264 936534169 /nfs/dbraw/zinc/53/41/69/936534169.db2.gz WWSIHCZKXJBMHO-LBPRGKRZSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696222 923867412 /nfs/dbraw/zinc/86/74/12/923867412.db2.gz QXVYEVJCWDVBCQ-CQSZACIVSA-N 2 2 290.411 1.760 20 30 CDEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696222 923867423 /nfs/dbraw/zinc/86/74/23/923867423.db2.gz QXVYEVJCWDVBCQ-CQSZACIVSA-N 2 2 290.411 1.760 20 30 CDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193798186 923904635 /nfs/dbraw/zinc/90/46/35/923904635.db2.gz ZTMYKNWZMTUBCI-HNNXBMFYSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193798186 923904646 /nfs/dbraw/zinc/90/46/46/923904646.db2.gz ZTMYKNWZMTUBCI-HNNXBMFYSA-N 2 2 290.411 1.462 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC)C[C@H]1C ZINC001079879351 924442743 /nfs/dbraw/zinc/44/27/43/924442743.db2.gz OCACABOYQBTQAA-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001079879351 924442749 /nfs/dbraw/zinc/44/27/49/924442749.db2.gz OCACABOYQBTQAA-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)C[C@H]1C ZINC001079879351 924442756 /nfs/dbraw/zinc/44/27/56/924442756.db2.gz OCACABOYQBTQAA-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)C[C@H]1C ZINC001079879351 924442760 /nfs/dbraw/zinc/44/27/60/924442760.db2.gz OCACABOYQBTQAA-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CCCC[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100920791 936945527 /nfs/dbraw/zinc/94/55/27/936945527.db2.gz AQKNPMRDPDTRFX-UHFFFAOYSA-N 2 2 290.411 1.711 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001085374710 925920770 /nfs/dbraw/zinc/92/07/70/925920770.db2.gz FLMMZGVXUZULSZ-VXGBXAGGSA-N 2 2 296.802 1.722 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085589328 926196378 /nfs/dbraw/zinc/19/63/78/926196378.db2.gz JLRUOUFUFFXTNV-HZPDHXFCSA-N 2 2 291.439 1.415 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085589328 926196384 /nfs/dbraw/zinc/19/63/84/926196384.db2.gz JLRUOUFUFFXTNV-HZPDHXFCSA-N 2 2 291.439 1.415 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085589328 926196390 /nfs/dbraw/zinc/19/63/90/926196390.db2.gz JLRUOUFUFFXTNV-HZPDHXFCSA-N 2 2 291.439 1.415 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085589328 926196393 /nfs/dbraw/zinc/19/63/93/926196393.db2.gz JLRUOUFUFFXTNV-HZPDHXFCSA-N 2 2 291.439 1.415 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699248 926298519 /nfs/dbraw/zinc/29/85/19/926298519.db2.gz JWKSEPUPNKANJY-OAHLLOKOSA-N 2 2 296.374 1.504 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699248 926298523 /nfs/dbraw/zinc/29/85/23/926298523.db2.gz JWKSEPUPNKANJY-OAHLLOKOSA-N 2 2 296.374 1.504 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085987083 926571273 /nfs/dbraw/zinc/57/12/73/926571273.db2.gz UAFSMUYABQHOHX-INIZCTEOSA-N 2 2 299.418 1.528 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085987083 926571279 /nfs/dbraw/zinc/57/12/79/926571279.db2.gz UAFSMUYABQHOHX-INIZCTEOSA-N 2 2 299.418 1.528 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086475319 927178405 /nfs/dbraw/zinc/17/84/05/927178405.db2.gz SPLZQEIQZSBCEQ-JHJVBQTASA-N 2 2 288.395 1.500 20 30 CDEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134230412 929656960 /nfs/dbraw/zinc/65/69/60/929656960.db2.gz XLLAXSACZBUTGK-OLZOCXBDSA-N 2 2 276.384 1.239 20 30 CDEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134745494 929881657 /nfs/dbraw/zinc/88/16/57/929881657.db2.gz WFSIBRUMSAHYHT-CHWSQXEVSA-N 2 2 289.379 1.139 20 30 CDEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798846 930427766 /nfs/dbraw/zinc/42/77/66/930427766.db2.gz MSLOMQUTLAPAEG-VXGBXAGGSA-N 2 2 264.373 1.401 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264095 938471736 /nfs/dbraw/zinc/47/17/36/938471736.db2.gz CDNTXWUGNMMHSA-UHFFFAOYSA-N 2 2 264.373 1.404 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044158 939183718 /nfs/dbraw/zinc/18/37/18/939183718.db2.gz MILITRMEHWSECK-UHFFFAOYSA-N 2 2 264.373 1.025 20 30 CDEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c12 ZINC001165293273 939541644 /nfs/dbraw/zinc/54/16/44/939541644.db2.gz UUQDKPMIUMEHHF-BXUZGUMPSA-N 2 2 297.362 1.249 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(F)c1 ZINC001205681041 939917065 /nfs/dbraw/zinc/91/70/65/939917065.db2.gz DSIGCRGGJVJHEH-HNNXBMFYSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(F)c1 ZINC001205681041 939917068 /nfs/dbraw/zinc/91/70/68/939917068.db2.gz DSIGCRGGJVJHEH-HNNXBMFYSA-N 2 2 277.343 1.373 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209350592 940463805 /nfs/dbraw/zinc/46/38/05/940463805.db2.gz CGJJXTJRBNRUPT-UMVBOHGHSA-N 2 2 290.411 1.601 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209350592 940463807 /nfs/dbraw/zinc/46/38/07/940463807.db2.gz CGJJXTJRBNRUPT-UMVBOHGHSA-N 2 2 290.411 1.601 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209350592 940463809 /nfs/dbraw/zinc/46/38/09/940463809.db2.gz CGJJXTJRBNRUPT-UMVBOHGHSA-N 2 2 290.411 1.601 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209350592 940463810 /nfs/dbraw/zinc/46/38/10/940463810.db2.gz CGJJXTJRBNRUPT-UMVBOHGHSA-N 2 2 290.411 1.601 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837638 940645196 /nfs/dbraw/zinc/64/51/96/940645196.db2.gz QJBYBXFPZAWFAB-KGLIPLIRSA-N 2 2 290.411 1.888 20 30 CDEDLP CC(C)C[C@H](C#N)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220702772 941464682 /nfs/dbraw/zinc/46/46/82/941464682.db2.gz GGNXJMMGRYODOM-KGLIPLIRSA-N 2 2 274.368 1.313 20 30 CDEDLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC#N ZINC001277943081 944147700 /nfs/dbraw/zinc/14/77/00/944147700.db2.gz MVBAAIBBNAEEAR-GOOCMWNKSA-N 2 2 281.400 1.496 20 30 CDEDLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC#N ZINC001277943081 944147702 /nfs/dbraw/zinc/14/77/02/944147702.db2.gz MVBAAIBBNAEEAR-GOOCMWNKSA-N 2 2 281.400 1.496 20 30 CDEDLP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CC[NH3+])C2 ZINC001235523846 944185114 /nfs/dbraw/zinc/18/51/14/944185114.db2.gz ZECLRDGMWJDKKD-UONOGXRCSA-N 2 2 254.374 1.019 20 30 CDEDLP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CC[NH3+])C2 ZINC001235523846 944185119 /nfs/dbraw/zinc/18/51/19/944185119.db2.gz ZECLRDGMWJDKKD-UONOGXRCSA-N 2 2 254.374 1.019 20 30 CDEDLP N#Cc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1Cl ZINC001236002231 944371806 /nfs/dbraw/zinc/37/18/06/944371806.db2.gz RZTBWKCHPIHGSC-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP N#Cc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1Cl ZINC001236002231 944371811 /nfs/dbraw/zinc/37/18/11/944371811.db2.gz RZTBWKCHPIHGSC-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP C=CCN(CC[N@H+](C)[C@H]1CCCC[C@H]1[NH3+])C(=O)OCC ZINC001236213204 944431594 /nfs/dbraw/zinc/43/15/94/944431594.db2.gz NWEWPXBYGIDKFL-KGLIPLIRSA-N 2 2 283.416 1.833 20 30 CDEDLP C=CCN(CC[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+])C(=O)OCC ZINC001236213204 944431596 /nfs/dbraw/zinc/43/15/96/944431596.db2.gz NWEWPXBYGIDKFL-KGLIPLIRSA-N 2 2 283.416 1.833 20 30 CDEDLP N#Cc1ccc2nc(C[N@H+]3CCc4[nH+]ccn4CC3)cn2c1 ZINC001237605868 944877743 /nfs/dbraw/zinc/87/77/43/944877743.db2.gz FCKNHXADICVMAF-UHFFFAOYSA-N 2 2 292.346 1.461 20 30 CDEDLP N#Cc1ccc2nc(C[N@@H+]3CCc4[nH+]ccn4CC3)cn2c1 ZINC001237605868 944877748 /nfs/dbraw/zinc/87/77/48/944877748.db2.gz FCKNHXADICVMAF-UHFFFAOYSA-N 2 2 292.346 1.461 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C)cnn2COC)CC1 ZINC001262353210 946601225 /nfs/dbraw/zinc/60/12/25/946601225.db2.gz MGLNEUHFUWCADJ-UHFFFAOYSA-N 2 2 278.400 1.535 20 30 CDEDLP N#Cc1ncccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242311203 946664754 /nfs/dbraw/zinc/66/47/54/946664754.db2.gz PYMRDCZVHDFXEP-UHFFFAOYSA-N 2 2 275.315 1.955 20 30 CDEDLP C=C1C[C@@H]2CC([NH2+][C@H]3C[NH2+]CCOC3)C[C@H](C1)C2 ZINC001246093796 947944849 /nfs/dbraw/zinc/94/48/49/947944849.db2.gz QFYLESCADYXCGO-IXXDHKBRSA-N 2 2 250.386 1.699 20 30 CDEDLP N#CC1CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246152464 947994057 /nfs/dbraw/zinc/99/40/57/947994057.db2.gz YYDVCYMCFXFRKF-NRXISQOPSA-N 3 2 276.428 1.533 20 30 CDEDLP C[C@@H]1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)C[NH2+]1 ZINC001246325133 948106986 /nfs/dbraw/zinc/10/69/86/948106986.db2.gz IAIBFUSAQPTNKP-OCCSQVGLSA-N 2 2 259.353 1.667 20 30 CDEDLP C=CCN1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1=O ZINC001256070983 948194089 /nfs/dbraw/zinc/19/40/89/948194089.db2.gz KJTNSTXUZZLCMP-OAHLLOKOSA-N 2 2 277.412 1.380 20 30 CDEDLP C=CCCNC(=S)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001247671877 948700094 /nfs/dbraw/zinc/70/00/94/948700094.db2.gz NYNXJTYIJYQHQW-UHFFFAOYSA-N 2 2 284.473 1.053 20 30 CDEDLP C=CCOC[C@@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001252488021 951352157 /nfs/dbraw/zinc/35/21/57/951352157.db2.gz DPWGVHUZRHNIHN-HNNXBMFYSA-N 2 2 291.395 1.204 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001253188260 951787334 /nfs/dbraw/zinc/78/73/34/951787334.db2.gz UDQDQVZSQMCFRN-KBPBESRZSA-N 2 2 253.390 1.315 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](C#N)CC1 ZINC001253188260 951787341 /nfs/dbraw/zinc/78/73/41/951787341.db2.gz UDQDQVZSQMCFRN-KBPBESRZSA-N 2 2 253.390 1.315 20 30 CDEDLP C=C[C@@H](O)C[NH+]1CCc2c(C[N@@H+](C)C(C)C)[nH]nc2C1 ZINC001253576311 951963951 /nfs/dbraw/zinc/96/39/51/951963951.db2.gz LXDNXVOHSQMVOE-GFCCVEGCSA-N 2 2 278.400 1.155 20 30 CDEDLP C=C[C@@H](O)C[N@@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1 ZINC001253576311 951963973 /nfs/dbraw/zinc/96/39/73/951963973.db2.gz LXDNXVOHSQMVOE-GFCCVEGCSA-N 2 2 278.400 1.155 20 30 CDEDLP N#CCCC[C@H]([NH3+])c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001325895309 954129593 /nfs/dbraw/zinc/12/95/93/954129593.db2.gz GZFKSGMMBCMAHS-NEPJUHHUSA-N 2 2 275.356 1.572 20 30 CDEDLP C#CC[NH2+]CC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001343591902 964055059 /nfs/dbraw/zinc/05/50/59/964055059.db2.gz JCRCBWUMDGUTFK-QGZVFWFLSA-N 2 2 299.418 1.332 20 30 CDEDLP C#CC[NH2+]CC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001343591902 964055065 /nfs/dbraw/zinc/05/50/65/964055065.db2.gz JCRCBWUMDGUTFK-QGZVFWFLSA-N 2 2 299.418 1.332 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100551581 968692959 /nfs/dbraw/zinc/69/29/59/968692959.db2.gz JPUUXTYKJURHSM-UHFFFAOYSA-N 2 2 276.384 1.334 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001400508145 977067285 /nfs/dbraw/zinc/06/72/85/977067285.db2.gz XNDQCIJPIZILRA-ZDUSSCGKSA-N 2 2 287.835 1.373 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)Cc2[nH]cc(CC)[nH+]2)CC1 ZINC000635531899 361774831 /nfs/dbraw/zinc/77/48/31/361774831.db2.gz VXDLBTYOCPIDOA-UHFFFAOYSA-N 2 2 276.384 1.281 20 30 CDEDLP C[C@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000609030378 342087664 /nfs/dbraw/zinc/08/76/64/342087664.db2.gz DLACPQYLPZZFIL-CQSZACIVSA-N 2 2 273.380 1.911 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000591764815 342645918 /nfs/dbraw/zinc/64/59/18/342645918.db2.gz KOBPIIMTNXQJPT-DOTOQJQBSA-N 2 2 285.391 1.590 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000591764815 342645919 /nfs/dbraw/zinc/64/59/19/342645919.db2.gz KOBPIIMTNXQJPT-DOTOQJQBSA-N 2 2 285.391 1.590 20 30 CDEDLP Cc1cccc2[nH+]c(CCNC(=O)[C@H]([NH3+])CCCC#N)cn21 ZINC000592345685 342686159 /nfs/dbraw/zinc/68/61/59/342686159.db2.gz IIIPFDSYMZHAGI-CQSZACIVSA-N 2 2 299.378 1.323 20 30 CDEDLP N#CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000594611914 342927067 /nfs/dbraw/zinc/92/70/67/342927067.db2.gz DHNGHCRGAQGDJL-CQSZACIVSA-N 2 2 263.385 1.523 20 30 CDEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C[C@@H](C)O1 ZINC000598701822 343889845 /nfs/dbraw/zinc/88/98/45/343889845.db2.gz ZDLKAARLZQBBHP-KFWWJZLASA-N 2 2 297.443 1.376 20 30 CDEDLP CC(C)[NH+]1CCC(C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000602335196 344403385 /nfs/dbraw/zinc/40/33/85/344403385.db2.gz VEOSOHOTAIMSQM-OAHLLOKOSA-N 2 2 280.416 1.067 20 30 CDEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(CCC#N)CC1 ZINC000611194923 346690361 /nfs/dbraw/zinc/69/03/61/346690361.db2.gz YTZLDZOEUOKJSE-UHFFFAOYSA-N 2 2 261.373 1.113 20 30 CDEDLP [NH2+]=C(NCCn1cc[nH+]c1)N[C@@H]1CCOc2ccccc21 ZINC000083030026 347111922 /nfs/dbraw/zinc/11/19/22/347111922.db2.gz OPYLSENLJDMDLX-CYBMUJFWSA-N 2 2 285.351 1.311 20 30 CDEDLP COc1cc(C[NH+]2CCC([NH2+]CCO)CC2)ccc1C#N ZINC000602024030 350045984 /nfs/dbraw/zinc/04/59/84/350045984.db2.gz ZJYNJBKZKPGNRS-UHFFFAOYSA-N 2 2 289.379 1.113 20 30 CDEDLP N#Cc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000602431713 350109708 /nfs/dbraw/zinc/10/97/08/350109708.db2.gz KFDFILDDGSYAND-UHFFFAOYSA-N 2 2 299.422 1.167 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264063473 362955547 /nfs/dbraw/zinc/95/55/47/362955547.db2.gz AGINPLILYJHXGX-CQSZACIVSA-N 2 2 278.375 1.909 20 30 CDEDLP CC(C)CNC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000264133334 362975664 /nfs/dbraw/zinc/97/56/64/362975664.db2.gz UTLNWBOXDLELNY-UHFFFAOYSA-N 2 2 259.357 1.437 20 30 CDEDLP N#Cc1csc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000344220680 356965367 /nfs/dbraw/zinc/96/53/67/356965367.db2.gz USVXSXSUTGGPFQ-ZDUSSCGKSA-N 2 2 292.408 1.049 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccncc3C#N)C2)CC1 ZINC000592069502 358584862 /nfs/dbraw/zinc/58/48/62/358584862.db2.gz RTTDUNSXIWOHNM-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccncc3C#N)C2)CC1 ZINC000592069502 358584865 /nfs/dbraw/zinc/58/48/65/358584865.db2.gz RTTDUNSXIWOHNM-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP C#CC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277068118 359555733 /nfs/dbraw/zinc/55/57/33/359555733.db2.gz WUTPADPNOQKLDP-WBVHZDCISA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277068118 359555736 /nfs/dbraw/zinc/55/57/36/359555736.db2.gz WUTPADPNOQKLDP-WBVHZDCISA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277068118 359555737 /nfs/dbraw/zinc/55/57/37/359555737.db2.gz WUTPADPNOQKLDP-WBVHZDCISA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277068118 359555738 /nfs/dbraw/zinc/55/57/38/359555738.db2.gz WUTPADPNOQKLDP-WBVHZDCISA-N 2 2 299.418 1.331 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000562300117 361235788 /nfs/dbraw/zinc/23/57/88/361235788.db2.gz FWXLBSNHJLUZQW-UONOGXRCSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000562300117 361235790 /nfs/dbraw/zinc/23/57/90/361235790.db2.gz FWXLBSNHJLUZQW-UONOGXRCSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000562300117 361235792 /nfs/dbraw/zinc/23/57/92/361235792.db2.gz FWXLBSNHJLUZQW-UONOGXRCSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000562300117 361235794 /nfs/dbraw/zinc/23/57/94/361235794.db2.gz FWXLBSNHJLUZQW-UONOGXRCSA-N 2 2 292.427 1.211 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C#N ZINC000248829889 367406587 /nfs/dbraw/zinc/40/65/87/367406587.db2.gz IBABFRCJZLLMNF-HOCLYGCPSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C#N ZINC000248829889 367406594 /nfs/dbraw/zinc/40/65/94/367406594.db2.gz IBABFRCJZLLMNF-HOCLYGCPSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000248829889 367406601 /nfs/dbraw/zinc/40/66/01/367406601.db2.gz IBABFRCJZLLMNF-HOCLYGCPSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N ZINC000248829889 367406606 /nfs/dbraw/zinc/40/66/06/367406606.db2.gz IBABFRCJZLLMNF-HOCLYGCPSA-N 2 2 272.396 1.813 20 30 CDEDLP C=C(CC)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000358501474 367730540 /nfs/dbraw/zinc/73/05/40/367730540.db2.gz UDMXXBXPOKNUPS-AWEZNQCLSA-N 2 2 265.401 1.191 20 30 CDEDLP C=C(CC)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000358501474 367730548 /nfs/dbraw/zinc/73/05/48/367730548.db2.gz UDMXXBXPOKNUPS-AWEZNQCLSA-N 2 2 265.401 1.191 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC(C)C)C(C)C)CC1 ZINC000490840038 261223028 /nfs/dbraw/zinc/22/30/28/261223028.db2.gz LHQYOKGFWPCJHT-UHFFFAOYSA-N 2 2 279.428 1.130 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC(C)C)C(C)C)CC1 ZINC000490840038 261223030 /nfs/dbraw/zinc/22/30/30/261223030.db2.gz LHQYOKGFWPCJHT-UHFFFAOYSA-N 2 2 279.428 1.130 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858476 376811476 /nfs/dbraw/zinc/81/14/76/376811476.db2.gz CVWAXNJYWLXZCB-CQSZACIVSA-N 2 2 280.416 1.022 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858476 376811479 /nfs/dbraw/zinc/81/14/79/376811479.db2.gz CVWAXNJYWLXZCB-CQSZACIVSA-N 2 2 280.416 1.022 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072858476 376811480 /nfs/dbraw/zinc/81/14/80/376811480.db2.gz CVWAXNJYWLXZCB-CQSZACIVSA-N 2 2 280.416 1.022 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072858476 376811483 /nfs/dbraw/zinc/81/14/83/376811483.db2.gz CVWAXNJYWLXZCB-CQSZACIVSA-N 2 2 280.416 1.022 20 30 CDEDLP C[C@@H](C#N)C[NH+](C)CCOCC[N@@H+](C)C[C@@H](C)C#N ZINC000343417858 378864499 /nfs/dbraw/zinc/86/44/99/378864499.db2.gz FMHOHDWHBULSSG-KBPBESRZSA-N 2 2 266.389 1.186 20 30 CDEDLP C[C@@H](C#N)C[NH+](C)CCOCC[N@H+](C)C[C@@H](C)C#N ZINC000343417858 378864506 /nfs/dbraw/zinc/86/45/06/378864506.db2.gz FMHOHDWHBULSSG-KBPBESRZSA-N 2 2 266.389 1.186 20 30 CDEDLP N#CCC[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000575053767 335059554 /nfs/dbraw/zinc/05/95/54/335059554.db2.gz YBMGLYHKLMFLQM-UHFFFAOYSA-N 2 2 273.380 1.647 20 30 CDEDLP C[C@H](CNC(=[NH2+])N(C)C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000262162406 391029054 /nfs/dbraw/zinc/02/90/54/391029054.db2.gz BEENISBKTFBUHT-LLVKDONJSA-N 2 2 292.452 1.904 20 30 CDEDLP C[C@H](CNC(=[NH2+])N(C)C1CC1)[N@H+]1CCc2sccc2C1 ZINC000262162406 391029057 /nfs/dbraw/zinc/02/90/57/391029057.db2.gz BEENISBKTFBUHT-LLVKDONJSA-N 2 2 292.452 1.904 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166348572 391556006 /nfs/dbraw/zinc/55/60/06/391556006.db2.gz HQEJWGOJOHJMIF-OAHLLOKOSA-N 2 2 275.396 1.839 20 30 CDEDLP C[C@@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCc2sccc2C1 ZINC000261893533 391724306 /nfs/dbraw/zinc/72/43/06/391724306.db2.gz UIKUMLRCBXTPKS-JTQLQIEISA-N 2 2 278.425 1.561 20 30 CDEDLP C[C@@H](CNC(=[NH2+])NC1CC1)[N@H+]1CCc2sccc2C1 ZINC000261893533 391724309 /nfs/dbraw/zinc/72/43/09/391724309.db2.gz UIKUMLRCBXTPKS-JTQLQIEISA-N 2 2 278.425 1.561 20 30 CDEDLP CCC#C[C@@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649624938 397879718 /nfs/dbraw/zinc/87/97/18/397879718.db2.gz QRIKQPLUDAGVIU-CQSZACIVSA-N 2 2 264.413 1.615 20 30 CDEDLP C=CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000662631647 413225198 /nfs/dbraw/zinc/22/51/98/413225198.db2.gz WZIVLIDENCGGCW-CHWSQXEVSA-N 2 2 253.390 1.080 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)C)C2)CC1 ZINC000490937647 261257417 /nfs/dbraw/zinc/25/74/17/261257417.db2.gz VMKFEQMWTRCIML-HNNXBMFYSA-N 2 2 291.439 1.132 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C2)CC1 ZINC000490937647 261257419 /nfs/dbraw/zinc/25/74/19/261257419.db2.gz VMKFEQMWTRCIML-HNNXBMFYSA-N 2 2 291.439 1.132 20 30 CDEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284554989 263087357 /nfs/dbraw/zinc/08/73/57/263087357.db2.gz WBLGXGZIPAWWIH-NSHDSACASA-N 2 2 252.318 1.049 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579266 328311221 /nfs/dbraw/zinc/31/12/21/328311221.db2.gz IVHKECZBKLPKNR-CQSZACIVSA-N 2 2 290.411 1.634 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579266 328311223 /nfs/dbraw/zinc/31/12/23/328311223.db2.gz IVHKECZBKLPKNR-CQSZACIVSA-N 2 2 290.411 1.634 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(CO)o2)CC1 ZINC000174363294 329156583 /nfs/dbraw/zinc/15/65/83/329156583.db2.gz FWDPOWWZNVJRFD-UHFFFAOYSA-N 2 2 264.369 1.902 20 30 CDEDLP C=C(C)CN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000183394592 329247667 /nfs/dbraw/zinc/24/76/67/329247667.db2.gz FKJSHBSLISAYKD-UHFFFAOYSA-N 2 2 282.432 1.230 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000424143164 330286992 /nfs/dbraw/zinc/28/69/92/330286992.db2.gz ZFNMYTMPUYTGES-LBPRGKRZSA-N 2 2 283.335 1.832 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000424177192 330317425 /nfs/dbraw/zinc/31/74/25/330317425.db2.gz ZEGASNXTOAUBPE-TZMCWYRMSA-N 2 2 261.373 1.181 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000424177192 330317426 /nfs/dbraw/zinc/31/74/26/330317426.db2.gz ZEGASNXTOAUBPE-TZMCWYRMSA-N 2 2 261.373 1.181 20 30 CDEDLP Cc1cc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc(C)[nH+]1 ZINC000424200374 330326560 /nfs/dbraw/zinc/32/65/60/330326560.db2.gz MBZRHWYVMWAGLV-ZDUSSCGKSA-N 2 2 260.341 1.336 20 30 CDEDLP N#CCC[C@H](C#N)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000515419782 330477058 /nfs/dbraw/zinc/47/70/58/330477058.db2.gz SGOFJUMHNHTVEP-OAHLLOKOSA-N 2 2 290.411 1.665 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000177907240 333065545 /nfs/dbraw/zinc/06/55/45/333065545.db2.gz YEFCDBLZKVVCDS-ZBFHGGJFSA-N 3 2 265.445 1.957 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000353317605 526421642 /nfs/dbraw/zinc/42/16/42/526421642.db2.gz WOLRGVVJTDMHCS-UHFFFAOYSA-N 2 2 262.357 1.109 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000261701520 536774796 /nfs/dbraw/zinc/77/47/96/536774796.db2.gz IOHYKEKQPVGICM-GJZGRUSLSA-N 2 2 271.364 1.608 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000261701520 536774800 /nfs/dbraw/zinc/77/48/00/536774800.db2.gz IOHYKEKQPVGICM-GJZGRUSLSA-N 2 2 271.364 1.608 20 30 CDEDLP C[NH+]1CCN([NH+]=C2CCCNc3ccccc32)CC1 ZINC000774308792 575197741 /nfs/dbraw/zinc/19/77/41/575197741.db2.gz CAUJYQOBMBRSSF-UHFFFAOYSA-N 2 2 258.369 1.844 20 30 CDEDLP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C#N ZINC000767689077 576220310 /nfs/dbraw/zinc/22/03/10/576220310.db2.gz LCJPHQZDGAJKLI-IAGOWNOFSA-N 2 2 285.391 1.820 20 30 CDEDLP Cc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1C#N ZINC000767689077 576220311 /nfs/dbraw/zinc/22/03/11/576220311.db2.gz LCJPHQZDGAJKLI-IAGOWNOFSA-N 2 2 285.391 1.820 20 30 CDEDLP 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ZINC001007705800 796744922 /nfs/dbraw/zinc/74/49/22/796744922.db2.gz OFRBZYJCEARFSA-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001032626119 797300152 /nfs/dbraw/zinc/30/01/52/797300152.db2.gz YURPGNLNVHVYGL-KBPBESRZSA-N 2 2 277.412 1.189 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001032626119 797300161 /nfs/dbraw/zinc/30/01/61/797300161.db2.gz YURPGNLNVHVYGL-KBPBESRZSA-N 2 2 277.412 1.189 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001032626119 797300172 /nfs/dbraw/zinc/30/01/72/797300172.db2.gz YURPGNLNVHVYGL-KBPBESRZSA-N 2 2 277.412 1.189 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001032626119 797300182 /nfs/dbraw/zinc/30/01/82/797300182.db2.gz YURPGNLNVHVYGL-KBPBESRZSA-N 2 2 277.412 1.189 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001036048852 797646352 /nfs/dbraw/zinc/64/63/52/797646352.db2.gz 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20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046834569 935976786 /nfs/dbraw/zinc/97/67/86/935976786.db2.gz SXZQDAKUKMNTNN-TZMCWYRMSA-N 2 2 285.819 1.271 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001121898187 937888340 /nfs/dbraw/zinc/88/83/40/937888340.db2.gz YDTOFHHSZDROQI-AWEZNQCLSA-N 2 2 288.395 1.414 20 30 CDEDLP C#CC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138954 939595081 /nfs/dbraw/zinc/59/50/81/939595081.db2.gz ULLJHUNIGJJRPX-UHFFFAOYSA-N 2 2 296.374 1.457 20 30 CDEDLP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203529364 939691429 /nfs/dbraw/zinc/69/14/29/939691429.db2.gz CNFJOVOIDXJWIC-CHWSQXEVSA-N 2 2 288.395 1.545 20 30 CDEDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000402324472 940894081 /nfs/dbraw/zinc/89/40/81/940894081.db2.gz LKDRHNUCIQSMPW-APHBMKBZSA-N 2 2 273.380 1.793 20 30 CDEDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000402324472 940894084 /nfs/dbraw/zinc/89/40/84/940894084.db2.gz LKDRHNUCIQSMPW-APHBMKBZSA-N 2 2 273.380 1.793 20 30 CDEDLP N#CCc1cccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC001218987911 941298152 /nfs/dbraw/zinc/29/81/52/941298152.db2.gz OZDDLPXIFNBZIN-UHFFFAOYSA-N 2 2 272.352 1.033 20 30 CDEDLP N#Cc1ccc(F)cc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222548568 941612765 /nfs/dbraw/zinc/61/27/65/941612765.db2.gz RVOHFMMPFNTFSD-UHFFFAOYSA-N 2 2 265.307 1.960 20 30 CDEDLP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235468487 944166124 /nfs/dbraw/zinc/16/61/24/944166124.db2.gz YKFNHMYNEJCQET-UKRRQHHQSA-N 2 2 265.401 1.367 20 30 CDEDLP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235468487 944166128 /nfs/dbraw/zinc/16/61/28/944166128.db2.gz YKFNHMYNEJCQET-UKRRQHHQSA-N 2 2 265.401 1.367 20 30 CDEDLP N#Cc1ccc2c(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)c[nH]c2c1 ZINC001235990241 944353189 /nfs/dbraw/zinc/35/31/89/944353189.db2.gz MCEQROIFZQSIRX-CZUORRHYSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1ccc2c(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)c[nH]c2c1 ZINC001235990241 944353193 /nfs/dbraw/zinc/35/31/93/944353193.db2.gz MCEQROIFZQSIRX-CZUORRHYSA-N 2 2 266.348 1.963 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236246731 944436586 /nfs/dbraw/zinc/43/65/86/944436586.db2.gz ITTHSAKDSGGDBD-MRXNPFEDSA-N 2 2 272.396 1.960 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236246731 944436588 /nfs/dbraw/zinc/43/65/88/944436588.db2.gz ITTHSAKDSGGDBD-MRXNPFEDSA-N 2 2 272.396 1.960 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001262264977 946558201 /nfs/dbraw/zinc/55/82/01/946558201.db2.gz HKGXXIAFPFRVPB-UHFFFAOYSA-N 2 2 285.351 1.411 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001262264977 946558209 /nfs/dbraw/zinc/55/82/09/946558209.db2.gz HKGXXIAFPFRVPB-UHFFFAOYSA-N 2 2 285.351 1.411 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246596882 948332235 /nfs/dbraw/zinc/33/22/35/948332235.db2.gz ZIBOWIACUGRASP-CQSZACIVSA-N 2 2 262.401 1.096 20 30 CDEDLP C[NH+]1CCC(CO)([NH2+]C2CCC(C#N)CC2)CC1 ZINC001256963954 948465268 /nfs/dbraw/zinc/46/52/68/948465268.db2.gz SKEQZJKDLCDCBO-UHFFFAOYSA-N 2 2 251.374 1.115 20 30 CDEDLP C=C[C@](C)(O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001252571172 951464716 /nfs/dbraw/zinc/46/47/16/951464716.db2.gz FNIXHEQNJCFHSR-KRWDZBQOSA-N 2 2 290.407 1.545 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001253210521 951808923 /nfs/dbraw/zinc/80/89/23/951808923.db2.gz OCRUDJTZROEZEG-LLVKDONJSA-N 2 2 267.398 1.412 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001422151572 955788514 /nfs/dbraw/zinc/78/85/14/955788514.db2.gz UBJKNGHVZISYTL-LBPRGKRZSA-N 2 2 298.818 1.590 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001366057661 956538108 /nfs/dbraw/zinc/53/81/08/956538108.db2.gz GKLBJDSZJGLJQY-CYBMUJFWSA-N 2 2 296.802 1.498 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419995914 962347162 /nfs/dbraw/zinc/34/71/62/962347162.db2.gz GCQKGPDWRPYRMK-NSHDSACASA-N 2 2 282.775 1.143 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001420321420 962736498 /nfs/dbraw/zinc/73/64/98/962736498.db2.gz WWGIBHZTLPCSPL-UHFFFAOYSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001420321420 962736506 /nfs/dbraw/zinc/73/65/06/962736506.db2.gz WWGIBHZTLPCSPL-UHFFFAOYSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001438728738 963538096 /nfs/dbraw/zinc/53/80/96/963538096.db2.gz BVLLYEJTKNFFBU-ZDUSSCGKSA-N 2 2 298.818 1.825 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001443621121 965538471 /nfs/dbraw/zinc/53/84/71/965538471.db2.gz ICRUFERBIQVWLL-UHFFFAOYSA-N 2 2 285.819 1.129 20 30 CDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200292361 967856471 /nfs/dbraw/zinc/85/64/71/967856471.db2.gz SQHKXTUPIHTXLR-UHFFFAOYSA-N 2 2 290.411 1.889 20 30 CDEDLP C#CCC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100716209 969005007 /nfs/dbraw/zinc/00/50/07/969005007.db2.gz BZOSNMANDDUZCN-WLYUNCDWSA-N 2 2 288.395 1.342 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848352194 969030162 /nfs/dbraw/zinc/03/01/62/969030162.db2.gz MWRGPZYLIJMBLF-PMPSAXMXSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848352194 969030176 /nfs/dbraw/zinc/03/01/76/969030176.db2.gz MWRGPZYLIJMBLF-PMPSAXMXSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000848352194 969030186 /nfs/dbraw/zinc/03/01/86/969030186.db2.gz MWRGPZYLIJMBLF-PMPSAXMXSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000848352194 969030190 /nfs/dbraw/zinc/03/01/90/969030190.db2.gz MWRGPZYLIJMBLF-PMPSAXMXSA-N 2 2 289.423 1.217 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376350379 974636133 /nfs/dbraw/zinc/63/61/33/974636133.db2.gz RYIYNINLNIXYOV-NWDGAFQWSA-N 2 2 296.802 1.531 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001378618403 975417364 /nfs/dbraw/zinc/41/73/64/975417364.db2.gz ZQRUPYORFOTYJU-AAEUAGOBSA-N 2 2 298.818 1.929 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001400001889 976801350 /nfs/dbraw/zinc/80/13/50/976801350.db2.gz IFQMYLFURMYZOA-CYBMUJFWSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001400001889 976801354 /nfs/dbraw/zinc/80/13/54/976801354.db2.gz IFQMYLFURMYZOA-CYBMUJFWSA-N 2 2 287.835 1.660 20 30 CDEDLP C[NH+]1CCN(Cc2ccc(C[NH2+]CCC#N)cc2)CC1 ZINC000591728071 342644406 /nfs/dbraw/zinc/64/44/06/342644406.db2.gz NBHCOTSLEXELHK-UHFFFAOYSA-N 2 2 272.396 1.437 20 30 CDEDLP CN1CC[NH+](Cc2ccc(C[NH2+]CCC#N)cc2)CC1 ZINC000591728071 342644407 /nfs/dbraw/zinc/64/44/07/342644407.db2.gz NBHCOTSLEXELHK-UHFFFAOYSA-N 2 2 272.396 1.437 20 30 CDEDLP N#CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000594606506 342925195 /nfs/dbraw/zinc/92/51/95/342925195.db2.gz LCFLPRLVHMMGPV-OAHLLOKOSA-N 2 2 277.412 1.913 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594614049 342928030 /nfs/dbraw/zinc/92/80/30/342928030.db2.gz YAWOQOHMRKFBRP-UKRRQHHQSA-N 2 2 265.401 1.912 20 30 CDEDLP N#Cc1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn2ccccc12 ZINC000107579716 342406868 /nfs/dbraw/zinc/40/68/68/342406868.db2.gz XDGDWSZCHPZSDU-BETUJISGSA-N 2 2 266.348 1.462 20 30 CDEDLP N#Cc1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn2ccccc12 ZINC000107579716 342406869 /nfs/dbraw/zinc/40/68/69/342406869.db2.gz XDGDWSZCHPZSDU-BETUJISGSA-N 2 2 266.348 1.462 20 30 CDEDLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672936 349847231 /nfs/dbraw/zinc/84/72/31/349847231.db2.gz JRUYEQYGXMLBLC-OLZOCXBDSA-N 2 2 251.374 1.379 20 30 CDEDLP COC1CC[NH+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000619672937 349847437 /nfs/dbraw/zinc/84/74/37/349847437.db2.gz JRUYEQYGXMLBLC-QWHCGFSZSA-N 2 2 251.374 1.379 20 30 CDEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000449136749 362627428 /nfs/dbraw/zinc/62/74/28/362627428.db2.gz CEAYQFVNVQTNIN-GJZGRUSLSA-N 2 2 253.434 1.957 20 30 CDEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000449136749 362627435 /nfs/dbraw/zinc/62/74/35/362627435.db2.gz CEAYQFVNVQTNIN-GJZGRUSLSA-N 2 2 253.434 1.957 20 30 CDEDLP CC[C@@H](C)NC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000264153771 362980949 /nfs/dbraw/zinc/98/09/49/362980949.db2.gz ADQPYNWVSDGTDR-GFCCVEGCSA-N 2 2 263.389 1.977 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492890852 366185206 /nfs/dbraw/zinc/18/52/06/366185206.db2.gz CAUAGQVMMBMGEM-ARJAWSKDSA-N 2 2 274.368 1.580 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)o1 ZINC000135176887 357755418 /nfs/dbraw/zinc/75/54/18/357755418.db2.gz LXKBIFQHZUKTAB-RISCZKNCSA-N 2 2 261.325 1.104 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)o1 ZINC000135176887 357755422 /nfs/dbraw/zinc/75/54/22/357755422.db2.gz LXKBIFQHZUKTAB-RISCZKNCSA-N 2 2 261.325 1.104 20 30 CDEDLP COCC#CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000677820615 482795911 /nfs/dbraw/zinc/79/59/11/482795911.db2.gz RBLNHKYQKQKWNJ-HNNXBMFYSA-N 2 2 250.386 1.300 20 30 CDEDLP COCC#CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000677820615 482795902 /nfs/dbraw/zinc/79/59/02/482795902.db2.gz RBLNHKYQKQKWNJ-HNNXBMFYSA-N 2 2 250.386 1.300 20 30 CDEDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000569501144 358518947 /nfs/dbraw/zinc/51/89/47/358518947.db2.gz MJVUVLDWXQBWHS-KGLIPLIRSA-N 2 2 265.401 1.504 20 30 CDEDLP C#CC[N@H+](C)CCCN[C@@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000294902608 199239895 /nfs/dbraw/zinc/23/98/95/199239895.db2.gz FPRGEIZOZDIBGT-OAHLLOKOSA-N 2 2 283.379 1.439 20 30 CDEDLP C#CC[N@@H+](C)CCCN[C@@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000294902608 199239897 /nfs/dbraw/zinc/23/98/97/199239897.db2.gz FPRGEIZOZDIBGT-OAHLLOKOSA-N 2 2 283.379 1.439 20 30 CDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)CC2 ZINC000570036854 359274303 /nfs/dbraw/zinc/27/43/03/359274303.db2.gz WJNKYASUKPTULF-UKRRQHHQSA-N 2 2 257.337 1.124 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247782693 361179015 /nfs/dbraw/zinc/17/90/15/361179015.db2.gz XVVBDJBXUKIFDG-QWHCGFSZSA-N 2 2 262.357 1.068 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247782693 361179019 /nfs/dbraw/zinc/17/90/19/361179019.db2.gz XVVBDJBXUKIFDG-QWHCGFSZSA-N 2 2 262.357 1.068 20 30 CDEDLP C=C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000570634698 363835749 /nfs/dbraw/zinc/83/57/49/363835749.db2.gz DXVPOSVDUIYOMJ-GOEBONIOSA-N 2 2 287.407 1.448 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nn1 ZINC000644166555 364084005 /nfs/dbraw/zinc/08/40/05/364084005.db2.gz ZYIUNMWKTNBSKD-RBSFLKMASA-N 2 2 275.400 1.474 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(C#N)c1 ZINC000423517586 374388781 /nfs/dbraw/zinc/38/87/81/374388781.db2.gz OCGZMXDJJNYQQI-WFASDCNBSA-N 2 2 258.369 1.112 20 30 CDEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1C ZINC000420282026 376319794 /nfs/dbraw/zinc/31/97/94/376319794.db2.gz AZPCICDWCWDVGL-CQSZACIVSA-N 2 2 275.396 1.754 20 30 CDEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1C ZINC000420282026 376319799 /nfs/dbraw/zinc/31/97/99/376319799.db2.gz AZPCICDWCWDVGL-CQSZACIVSA-N 2 2 275.396 1.754 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420357534 376334070 /nfs/dbraw/zinc/33/40/70/376334070.db2.gz ICHFUYLQXWDIDF-HNNXBMFYSA-N 2 2 279.428 1.684 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420371923 376341700 /nfs/dbraw/zinc/34/17/00/376341700.db2.gz PWJORRZZXINSBA-UMVBOHGHSA-N 2 2 265.401 1.163 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246222598 376569190 /nfs/dbraw/zinc/56/91/90/376569190.db2.gz QXVDDXPSYJGHIF-KBPBESRZSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246222598 376569197 /nfs/dbraw/zinc/56/91/97/376569197.db2.gz QXVDDXPSYJGHIF-KBPBESRZSA-N 2 2 265.401 1.095 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247148128 377060185 /nfs/dbraw/zinc/06/01/85/377060185.db2.gz XKLYEBOIQRPNHQ-KBPBESRZSA-N 2 2 280.416 1.021 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247148128 377060194 /nfs/dbraw/zinc/06/01/94/377060194.db2.gz XKLYEBOIQRPNHQ-KBPBESRZSA-N 2 2 280.416 1.021 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247148128 377060198 /nfs/dbraw/zinc/06/01/98/377060198.db2.gz XKLYEBOIQRPNHQ-KBPBESRZSA-N 2 2 280.416 1.021 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247148128 377060201 /nfs/dbraw/zinc/06/02/01/377060201.db2.gz XKLYEBOIQRPNHQ-KBPBESRZSA-N 2 2 280.416 1.021 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000633039992 378063137 /nfs/dbraw/zinc/06/31/37/378063137.db2.gz GBDXENXCZXMETD-UHFFFAOYSA-N 2 2 277.372 1.202 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267288686 391191043 /nfs/dbraw/zinc/19/10/43/391191043.db2.gz IBDLRBOTJLWRBV-GFCCVEGCSA-N 2 2 296.390 1.197 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267288686 391191047 /nfs/dbraw/zinc/19/10/47/391191047.db2.gz IBDLRBOTJLWRBV-GFCCVEGCSA-N 2 2 296.390 1.197 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000359383597 391592715 /nfs/dbraw/zinc/59/27/15/391592715.db2.gz DZHYUHSYXOJDRH-UHFFFAOYSA-N 2 2 292.383 1.116 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000261965779 391743548 /nfs/dbraw/zinc/74/35/48/391743548.db2.gz BCPYPWRVYWOBPZ-UHFFFAOYSA-N 2 2 284.367 1.556 20 30 CDEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000662165761 414547407 /nfs/dbraw/zinc/54/74/07/414547407.db2.gz ORPQLRKTAUQBDL-ZIAGYGMSSA-N 2 2 289.379 1.151 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000491475297 261624374 /nfs/dbraw/zinc/62/43/74/261624374.db2.gz VLWJFYJKGXACDT-GJZGRUSLSA-N 2 2 291.439 1.178 20 30 CDEDLP C[C@@H]1CN(CCC#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000343710556 288153954 /nfs/dbraw/zinc/15/39/54/288153954.db2.gz LVPGBHOCZRVIHH-CYBMUJFWSA-N 2 2 250.390 1.000 20 30 CDEDLP C[C@@H]1CN(CCC#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343710556 288153958 /nfs/dbraw/zinc/15/39/58/288153958.db2.gz LVPGBHOCZRVIHH-CYBMUJFWSA-N 2 2 250.390 1.000 20 30 CDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000577729876 317390535 /nfs/dbraw/zinc/39/05/35/317390535.db2.gz DTHWPZCUGZQTEF-NHYWBVRUSA-N 2 2 296.378 1.173 20 30 CDEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000577729876 317390538 /nfs/dbraw/zinc/39/05/38/317390538.db2.gz DTHWPZCUGZQTEF-NHYWBVRUSA-N 2 2 296.378 1.173 20 30 CDEDLP CC(C)(C)NC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000261978572 329993542 /nfs/dbraw/zinc/99/35/42/329993542.db2.gz HAQDWXHLPIWRJY-UHFFFAOYSA-N 2 2 263.389 1.465 20 30 CDEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccco1 ZINC000423582315 330212368 /nfs/dbraw/zinc/21/23/68/330212368.db2.gz ZVMJILXYQAOPID-QWHCGFSZSA-N 2 2 250.342 1.865 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)CC(C)C)CC1 ZINC000490760348 332112739 /nfs/dbraw/zinc/11/27/39/332112739.db2.gz LDLKTXQQHHUCJX-UHFFFAOYSA-N 2 2 279.428 1.132 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)CC(C)C)CC1 ZINC000490760348 332112741 /nfs/dbraw/zinc/11/27/41/332112741.db2.gz LDLKTXQQHHUCJX-UHFFFAOYSA-N 2 2 279.428 1.132 20 30 CDEDLP C#CCNC(=O)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000491731098 332312436 /nfs/dbraw/zinc/31/24/36/332312436.db2.gz PNOFAJQIMBTQBK-UHFFFAOYSA-N 2 2 296.374 1.296 20 30 CDEDLP C#CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163040753 334435552 /nfs/dbraw/zinc/43/55/52/334435552.db2.gz RFKJLGXENYGHIX-UHFFFAOYSA-N 2 2 250.265 1.256 20 30 CDEDLP COCC#CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000677820615 482795893 /nfs/dbraw/zinc/79/58/93/482795893.db2.gz RBLNHKYQKQKWNJ-HNNXBMFYSA-N 2 2 250.386 1.300 20 30 CDEDLP COCC#CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000677820615 482795897 /nfs/dbraw/zinc/79/58/97/482795897.db2.gz RBLNHKYQKQKWNJ-HNNXBMFYSA-N 2 2 250.386 1.300 20 30 CDEDLP C=CCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682417443 483220973 /nfs/dbraw/zinc/22/09/73/483220973.db2.gz LJIRFKGLODAVPI-AWEZNQCLSA-N 2 2 294.443 1.372 20 30 CDEDLP C=CCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682417443 483220977 /nfs/dbraw/zinc/22/09/77/483220977.db2.gz LJIRFKGLODAVPI-AWEZNQCLSA-N 2 2 294.443 1.372 20 30 CDEDLP Clc1cccc(C#CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000676556906 483528188 /nfs/dbraw/zinc/52/81/88/483528188.db2.gz AYVOYMGWWUYMFP-KBPBESRZSA-N 2 2 260.768 1.843 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000106245046 526605146 /nfs/dbraw/zinc/60/51/46/526605146.db2.gz IMPBRJBLRQARJP-UHFFFAOYSA-N 2 2 287.407 1.916 20 30 CDEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3ccccc3)cn2)CC1 ZINC000755463131 576946048 /nfs/dbraw/zinc/94/60/48/576946048.db2.gz ZSZJPUDQVVBDHM-UHFFFAOYSA-N 2 2 296.378 1.674 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966913743 613215324 /nfs/dbraw/zinc/21/53/24/613215324.db2.gz KFYXUUUSDLCTQD-WBMJQRKESA-N 2 2 296.374 1.636 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966913743 613215326 /nfs/dbraw/zinc/21/53/26/613215326.db2.gz KFYXUUUSDLCTQD-WBMJQRKESA-N 2 2 296.374 1.636 20 30 CDEDLP C=C(C)CC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000950962603 613258494 /nfs/dbraw/zinc/25/84/94/613258494.db2.gz SVGDTOOMPPIOCE-HNNXBMFYSA-N 2 2 290.411 1.945 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943177801 613271386 /nfs/dbraw/zinc/27/13/86/613271386.db2.gz QHTMGRPHZQWOQN-ZFWWWQNUSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943177801 613271388 /nfs/dbraw/zinc/27/13/88/613271388.db2.gz QHTMGRPHZQWOQN-ZFWWWQNUSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036948 613305554 /nfs/dbraw/zinc/30/55/54/613305554.db2.gz UPWDIXKZAVSRSD-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036948 613305555 /nfs/dbraw/zinc/30/55/55/613305555.db2.gz UPWDIXKZAVSRSD-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944441832 613781734 /nfs/dbraw/zinc/78/17/34/613781734.db2.gz AXTRVWMKJBNDLO-YPMHNXCESA-N 2 2 276.384 1.273 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944441832 613781736 /nfs/dbraw/zinc/78/17/36/613781736.db2.gz AXTRVWMKJBNDLO-YPMHNXCESA-N 2 2 276.384 1.273 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000970816076 613865305 /nfs/dbraw/zinc/86/53/05/613865305.db2.gz NFBVNFGDXABWBW-CABCVRRESA-N 2 2 288.395 1.061 20 30 CDEDLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(C#N)c1 ZINC000902796279 625415410 /nfs/dbraw/zinc/41/54/10/625415410.db2.gz OOTCECYZGKVAOX-GJZGRUSLSA-N 2 2 261.369 1.521 20 30 CDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000900690994 623378111 /nfs/dbraw/zinc/37/81/11/623378111.db2.gz UMWWFXGSKUVINN-HNNXBMFYSA-N 2 2 290.411 1.767 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906483999 627294112 /nfs/dbraw/zinc/29/41/12/627294112.db2.gz QEYKTQYWZZCGPV-UHFFFAOYSA-N 2 2 291.439 1.418 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969094 1159769513 /nfs/dbraw/zinc/76/95/13/1159769513.db2.gz GGWQZBNPSSFKSQ-CYBMUJFWSA-N 2 2 284.363 1.943 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969094 1159769542 /nfs/dbraw/zinc/76/95/42/1159769542.db2.gz GGWQZBNPSSFKSQ-CYBMUJFWSA-N 2 2 284.363 1.943 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167977762 1160130945 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C[NH+]=C(NCC[NH+]1CCC1)N1CCSC(C)(C)C1 ZINC000261914725 904096186 /nfs/dbraw/zinc/09/61/86/904096186.db2.gz JTLVKLCEWFXRAJ-UHFFFAOYSA-N 2 2 270.446 1.095 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167976316 904894939 /nfs/dbraw/zinc/89/49/39/904894939.db2.gz AFQNNBJVKYBNMJ-LBPRGKRZSA-N 2 2 264.373 1.260 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167976316 904894954 /nfs/dbraw/zinc/89/49/54/904894954.db2.gz AFQNNBJVKYBNMJ-LBPRGKRZSA-N 2 2 264.373 1.260 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088434407 907177433 /nfs/dbraw/zinc/17/74/33/907177433.db2.gz YXZUWSJTUZMAAE-HNNXBMFYSA-N 2 2 290.411 1.820 20 30 CDEDLP C#CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760192 910935766 /nfs/dbraw/zinc/93/57/66/910935766.db2.gz RUNSBTYLJVAUBY-IEBWSBKVSA-N 2 2 297.446 1.900 20 30 CDEDLP C#CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171760192 910935787 /nfs/dbraw/zinc/93/57/87/910935787.db2.gz RUNSBTYLJVAUBY-IEBWSBKVSA-N 2 2 297.446 1.900 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849087 911938898 /nfs/dbraw/zinc/93/88/98/911938898.db2.gz DHPBGIGMDQXWHN-UPJWGTAASA-N 2 2 288.395 1.595 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849087 911938909 /nfs/dbraw/zinc/93/89/09/911938909.db2.gz DHPBGIGMDQXWHN-UPJWGTAASA-N 2 2 288.395 1.595 20 30 CDEDLP N#Cc1cc(F)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206174961 911975063 /nfs/dbraw/zinc/97/50/63/911975063.db2.gz QNLWTTIXMMEBOE-UONOGXRCSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206174961 911975081 /nfs/dbraw/zinc/97/50/81/911975081.db2.gz QNLWTTIXMMEBOE-UONOGXRCSA-N 2 2 265.307 1.959 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929366 916071166 /nfs/dbraw/zinc/07/11/66/916071166.db2.gz KDRXUZVDWWNQDX-ZFWWWQNUSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)C[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179902630 916085544 /nfs/dbraw/zinc/08/55/44/916085544.db2.gz OTGVBAAMRGGCKW-UHFFFAOYSA-N 2 2 278.400 1.795 20 30 CDEDLP CC#CC[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180065222 916142744 /nfs/dbraw/zinc/14/27/44/916142744.db2.gz KEFCYTXWZSGFIM-UHFFFAOYSA-N 2 2 290.411 1.252 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052899362 936404753 /nfs/dbraw/zinc/40/47/53/936404753.db2.gz RZXRRGRVBCRJAM-AWEZNQCLSA-N 2 2 288.395 1.255 20 30 CDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1(C)C ZINC000996398804 918256662 /nfs/dbraw/zinc/25/66/62/918256662.db2.gz KUQXRYNKIDTIAA-GXTWGEPZSA-N 2 2 288.395 1.048 20 30 CDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996398804 918256673 /nfs/dbraw/zinc/25/66/73/918256673.db2.gz KUQXRYNKIDTIAA-GXTWGEPZSA-N 2 2 288.395 1.048 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184903250 919332166 /nfs/dbraw/zinc/33/21/66/919332166.db2.gz NTIWEOWFZBRRIN-CABCVRRESA-N 2 2 290.411 1.533 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221124 919929977 /nfs/dbraw/zinc/92/99/77/919929977.db2.gz HIZUWPQPOPVRGH-UONOGXRCSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186221124 919929987 /nfs/dbraw/zinc/92/99/87/919929987.db2.gz HIZUWPQPOPVRGH-UONOGXRCSA-N 2 2 290.411 1.745 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C#N)cc(C#N)c2)CC1 ZINC001168736624 921880214 /nfs/dbraw/zinc/88/02/14/921880214.db2.gz JKHIDRHBTPKRRH-UHFFFAOYSA-N 2 2 268.324 1.024 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351143 921973703 /nfs/dbraw/zinc/97/37/03/921973703.db2.gz RTRGXKHVBVHONO-UONOGXRCSA-N 2 2 299.846 1.612 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351143 921973716 /nfs/dbraw/zinc/97/37/16/921973716.db2.gz RTRGXKHVBVHONO-UONOGXRCSA-N 2 2 299.846 1.612 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351143 921973727 /nfs/dbraw/zinc/97/37/27/921973727.db2.gz RTRGXKHVBVHONO-UONOGXRCSA-N 2 2 299.846 1.612 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351143 921973738 /nfs/dbraw/zinc/97/37/38/921973738.db2.gz RTRGXKHVBVHONO-UONOGXRCSA-N 2 2 299.846 1.612 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001084774835 925421284 /nfs/dbraw/zinc/42/12/84/925421284.db2.gz GZRRDSQAUKBVMC-UKRRQHHQSA-N 2 2 288.395 1.071 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001085374037 925919176 /nfs/dbraw/zinc/91/91/76/925919176.db2.gz VSNULEYUPRSJRN-CHWSQXEVSA-N 2 2 276.384 1.545 20 30 CDEDLP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125484 926210710 /nfs/dbraw/zinc/21/07/10/926210710.db2.gz YYELGPSAVOCSPI-ZIAGYGMSSA-N 2 2 286.379 1.117 20 30 CDEDLP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125484 926210717 /nfs/dbraw/zinc/21/07/17/926210717.db2.gz YYELGPSAVOCSPI-ZIAGYGMSSA-N 2 2 286.379 1.117 20 30 CDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349395 927417165 /nfs/dbraw/zinc/41/71/65/927417165.db2.gz FDMKBSADGUQNMS-INIZCTEOSA-N 2 2 297.443 1.111 20 30 CDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349395 927417173 /nfs/dbraw/zinc/41/71/73/927417173.db2.gz FDMKBSADGUQNMS-INIZCTEOSA-N 2 2 297.443 1.111 20 30 CDEDLP N#Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c2sccc21 ZINC001169072295 927687615 /nfs/dbraw/zinc/68/76/15/927687615.db2.gz MAEQGANGWVJEGG-SNVBAGLBSA-N 2 2 299.359 1.216 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676335 928906797 /nfs/dbraw/zinc/90/67/97/928906797.db2.gz AEGIRJGXWMQROU-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676335 928906807 /nfs/dbraw/zinc/90/68/07/928906807.db2.gz AEGIRJGXWMQROU-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968551 929983407 /nfs/dbraw/zinc/98/34/07/929983407.db2.gz CSTAYVROVDTKAO-OLZOCXBDSA-N 2 2 284.363 1.454 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cncc(C(=O)OC)c1 ZINC000886615984 930922005 /nfs/dbraw/zinc/92/20/05/930922005.db2.gz RZJFHEGXDYMJQI-ZDUSSCGKSA-N 2 2 289.379 1.474 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cncc(C(=O)OC)c1 ZINC000886615984 930922012 /nfs/dbraw/zinc/92/20/12/930922012.db2.gz RZJFHEGXDYMJQI-ZDUSSCGKSA-N 2 2 289.379 1.474 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238168 932088554 /nfs/dbraw/zinc/08/85/54/932088554.db2.gz NGFUDWPRSNMNEW-CYBMUJFWSA-N 2 2 278.400 1.413 20 30 CDEDLP C#CCC[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146473806 932257161 /nfs/dbraw/zinc/25/71/61/932257161.db2.gz IDGDJHLUUXWUIT-UHFFFAOYSA-N 2 2 282.347 1.215 20 30 CDEDLP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)NO ZINC001257213979 932751444 /nfs/dbraw/zinc/75/14/44/932751444.db2.gz XYDDEISMBOTSJS-AAEUAGOBSA-N 2 2 271.405 1.369 20 30 CDEDLP CCCCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303790863 935043558 /nfs/dbraw/zinc/04/35/58/935043558.db2.gz WXWGESIAIRGZMB-CHWSQXEVSA-N 2 2 284.448 1.579 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018176495 935661697 /nfs/dbraw/zinc/66/16/97/935661697.db2.gz JFIJSBDMOSSZGD-OKILXGFUSA-N 2 2 288.395 1.214 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018176495 935661699 /nfs/dbraw/zinc/66/16/99/935661699.db2.gz JFIJSBDMOSSZGD-OKILXGFUSA-N 2 2 288.395 1.214 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042379391 935818552 /nfs/dbraw/zinc/81/85/52/935818552.db2.gz KUFYZMUTJPDWDH-CABCVRRESA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042379391 935818554 /nfs/dbraw/zinc/81/85/54/935818554.db2.gz KUFYZMUTJPDWDH-CABCVRRESA-N 2 2 288.395 1.382 20 30 CDEDLP Cc1ccc(C#N)c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258621 938601603 /nfs/dbraw/zinc/60/16/03/938601603.db2.gz DXKBHEFROQRWKA-AWEZNQCLSA-N 2 2 285.395 1.264 20 30 CDEDLP Cc1ccc(C#N)c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258621 938601604 /nfs/dbraw/zinc/60/16/04/938601604.db2.gz DXKBHEFROQRWKA-AWEZNQCLSA-N 2 2 285.395 1.264 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323731 938888994 /nfs/dbraw/zinc/88/89/94/938888994.db2.gz PIEXMOIROJIGBL-ZDUSSCGKSA-N 2 2 290.411 1.495 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323731 938888995 /nfs/dbraw/zinc/88/89/95/938888995.db2.gz PIEXMOIROJIGBL-ZDUSSCGKSA-N 2 2 290.411 1.495 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ncc(F)cc1C#N)CC[NH2+]CC2 ZINC001165351300 939549885 /nfs/dbraw/zinc/54/98/85/939549885.db2.gz BCUKQALISRXSKI-UHFFFAOYSA-N 2 2 271.299 1.275 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ncc(C#N)cc1Cl)CC[NH2+]CC2 ZINC001165352094 939549909 /nfs/dbraw/zinc/54/99/09/939549909.db2.gz OEIVYZQYQAKKJZ-UHFFFAOYSA-N 2 2 287.754 1.789 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ccc(C#N)c(C)n1)CC[NH2+]CC2 ZINC001165354488 939550532 /nfs/dbraw/zinc/55/05/32/939550532.db2.gz AZXZMPRHPKSTEA-UHFFFAOYSA-N 2 2 267.336 1.444 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166322802 939604284 /nfs/dbraw/zinc/60/42/84/939604284.db2.gz UNNDKNFJHIGPLA-UHFFFAOYSA-N 2 2 290.411 1.415 20 30 CDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215854721 940911188 /nfs/dbraw/zinc/91/11/88/940911188.db2.gz IGHGTTJIWKXVCL-GZBFAFLISA-N 2 2 288.395 1.048 20 30 CDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215854721 940911192 /nfs/dbraw/zinc/91/11/92/940911192.db2.gz IGHGTTJIWKXVCL-GZBFAFLISA-N 2 2 288.395 1.048 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216392902 940936739 /nfs/dbraw/zinc/93/67/39/940936739.db2.gz SITLXPJCRLVMOK-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP Cc1cc(C#N)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)s1 ZINC001218554499 941235505 /nfs/dbraw/zinc/23/55/05/941235505.db2.gz KAKZCXFTIMLSHR-SNVBAGLBSA-N 2 2 275.337 1.160 20 30 CDEDLP C[NH+](C)Cc1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229701278 942513481 /nfs/dbraw/zinc/51/34/81/942513481.db2.gz HHLQGVJFZFELAG-RCKFOTBSSA-N 2 2 288.391 1.739 20 30 CDEDLP C[NH+](C)Cc1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229701278 942513483 /nfs/dbraw/zinc/51/34/83/942513483.db2.gz HHLQGVJFZFELAG-RCKFOTBSSA-N 2 2 288.391 1.739 20 30 CDEDLP C#CC[NH+]1CCN(Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232146614 943151429 /nfs/dbraw/zinc/15/14/29/943151429.db2.gz VUUPGOFWPUATIM-UHFFFAOYSA-N 2 2 289.398 1.638 20 30 CDEDLP Cn1cc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c2cc(C#N)ccc21 ZINC001235990577 944355791 /nfs/dbraw/zinc/35/57/91/944355791.db2.gz MRYWBOOTOJENPF-RHSMWYFYSA-N 2 2 280.375 1.973 20 30 CDEDLP Cn1cc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c2cc(C#N)ccc21 ZINC001235990577 944355798 /nfs/dbraw/zinc/35/57/98/944355798.db2.gz MRYWBOOTOJENPF-RHSMWYFYSA-N 2 2 280.375 1.973 20 30 CDEDLP C=CCC[C@H](O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001252591745 951484865 /nfs/dbraw/zinc/48/48/65/951484865.db2.gz ASGLJVZHHDPFEO-AWEZNQCLSA-N 2 2 290.411 1.572 20 30 CDEDLP C#C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC001308883364 956593785 /nfs/dbraw/zinc/59/37/85/956593785.db2.gz RFULHYWZMAVFHW-SQWLQELKSA-N 2 2 264.413 1.613 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cccnc2N(C)C)CC1 ZINC001342914381 963857404 /nfs/dbraw/zinc/85/74/04/963857404.db2.gz QFNIOZCKGYBUOG-UHFFFAOYSA-N 2 2 274.412 1.888 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443328042 965443141 /nfs/dbraw/zinc/44/31/41/965443141.db2.gz KINUBGBEPXBMMX-LBPRGKRZSA-N 2 2 296.802 1.485 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443328042 965443153 /nfs/dbraw/zinc/44/31/53/965443153.db2.gz KINUBGBEPXBMMX-LBPRGKRZSA-N 2 2 296.802 1.485 20 30 CDEDLP C=C(Cl)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001444095152 965735726 /nfs/dbraw/zinc/73/57/26/965735726.db2.gz YUHFJMYXGBZISP-UHFFFAOYSA-N 2 2 296.802 1.723 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001373800303 973648130 /nfs/dbraw/zinc/64/81/30/973648130.db2.gz IVDACALQUJVTET-JTQLQIEISA-N 2 2 270.764 1.189 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001418563114 973974019 /nfs/dbraw/zinc/97/40/19/973974019.db2.gz CSOYSIVWCQYHAX-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001418563114 973974030 /nfs/dbraw/zinc/97/40/30/973974030.db2.gz CSOYSIVWCQYHAX-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001501987182 974667290 /nfs/dbraw/zinc/66/72/90/974667290.db2.gz PWSQWQUZOYLQFK-UHFFFAOYSA-N 2 2 296.802 1.654 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CCn1cc[nH+]c1 ZINC001391711369 977059598 /nfs/dbraw/zinc/05/95/98/977059598.db2.gz PASXSVYUBTXIRL-GFCCVEGCSA-N 2 2 284.791 1.510 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133197076 1163604062 /nfs/dbraw/zinc/60/40/62/1163604062.db2.gz YISJSJGOMDHNFC-KBPBESRZSA-N 2 2 290.411 1.603 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(F)c1 ZINC000591570706 342637288 /nfs/dbraw/zinc/63/72/88/342637288.db2.gz DHHWSRWNEUVKKB-JKSUJKDBSA-N 2 2 289.354 1.554 20 30 CDEDLP CC[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000593461105 342803249 /nfs/dbraw/zinc/80/32/49/342803249.db2.gz HSNGJAYCOGUDQH-DZGCQCFKSA-N 2 2 292.427 1.163 20 30 CDEDLP CC[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000593461105 342803250 /nfs/dbraw/zinc/80/32/50/342803250.db2.gz HSNGJAYCOGUDQH-DZGCQCFKSA-N 2 2 292.427 1.163 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C/C=C/CO)CC2)cc1 ZINC000594975313 342992944 /nfs/dbraw/zinc/99/29/44/342992944.db2.gz QQNFVJZRPDNGKW-OWOJBTEDSA-N 2 2 285.391 1.661 20 30 CDEDLP N#CC1(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000595469976 343072242 /nfs/dbraw/zinc/07/22/42/343072242.db2.gz KYBSWBDBABTYGQ-AWEZNQCLSA-N 2 2 263.385 1.477 20 30 CDEDLP N#CC1(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000595469976 343072243 /nfs/dbraw/zinc/07/22/43/343072243.db2.gz KYBSWBDBABTYGQ-AWEZNQCLSA-N 2 2 263.385 1.477 20 30 CDEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)cn1)C2 ZINC000595503738 343079087 /nfs/dbraw/zinc/07/90/87/343079087.db2.gz AWJRDSBDGGZYHR-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)cn1)C2 ZINC000595503738 343079088 /nfs/dbraw/zinc/07/90/88/343079088.db2.gz AWJRDSBDGGZYHR-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C#N)cn1)C2 ZINC000595503738 343079090 /nfs/dbraw/zinc/07/90/90/343079090.db2.gz AWJRDSBDGGZYHR-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC000595503738 343079091 /nfs/dbraw/zinc/07/90/91/343079091.db2.gz AWJRDSBDGGZYHR-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000089926859 342394170 /nfs/dbraw/zinc/39/41/70/342394170.db2.gz SWGYOVSJGQVFMH-UHFFFAOYSA-N 2 2 298.365 1.733 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)OCC)no2)CC1 ZINC000602537640 344471272 /nfs/dbraw/zinc/47/12/72/344471272.db2.gz ALUSVKYGNUVCBD-UHFFFAOYSA-N 2 2 293.367 1.591 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)no2)CC1 ZINC000602538730 344471785 /nfs/dbraw/zinc/47/17/85/344471785.db2.gz HMDSLEDNOKVDEQ-UHFFFAOYSA-N 2 2 279.340 1.201 20 30 CDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000449386657 362680908 /nfs/dbraw/zinc/68/09/08/362680908.db2.gz JARFEXNEEONYAM-RBSFLKMASA-N 2 2 265.401 1.505 20 30 CDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000449386657 362680915 /nfs/dbraw/zinc/68/09/15/362680915.db2.gz JARFEXNEEONYAM-RBSFLKMASA-N 2 2 265.401 1.505 20 30 CDEDLP C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000619718390 348184274 /nfs/dbraw/zinc/18/42/74/348184274.db2.gz LJGYBVKDNHWCPX-KBPBESRZSA-N 2 2 284.400 1.147 20 30 CDEDLP C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000619718390 348184276 /nfs/dbraw/zinc/18/42/76/348184276.db2.gz LJGYBVKDNHWCPX-KBPBESRZSA-N 2 2 284.400 1.147 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000336253148 363229448 /nfs/dbraw/zinc/22/94/48/363229448.db2.gz RIZMNFTUXGYOTC-GDBMZVCRSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000336253148 363229450 /nfs/dbraw/zinc/22/94/50/363229450.db2.gz RIZMNFTUXGYOTC-GDBMZVCRSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000336253148 363229454 /nfs/dbraw/zinc/22/94/54/363229454.db2.gz RIZMNFTUXGYOTC-GDBMZVCRSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000336253148 363229457 /nfs/dbraw/zinc/22/94/57/363229457.db2.gz RIZMNFTUXGYOTC-GDBMZVCRSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000271711430 191287477 /nfs/dbraw/zinc/28/74/77/191287477.db2.gz PMQOFKPDMDOYDD-HNNXBMFYSA-N 2 2 290.411 1.794 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271711430 191287478 /nfs/dbraw/zinc/28/74/78/191287478.db2.gz PMQOFKPDMDOYDD-HNNXBMFYSA-N 2 2 290.411 1.794 20 30 CDEDLP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000341494988 357814142 /nfs/dbraw/zinc/81/41/42/357814142.db2.gz XECNZWIDIBBLNE-MRXNPFEDSA-N 2 2 273.380 1.411 20 30 CDEDLP COCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000341494988 357814145 /nfs/dbraw/zinc/81/41/45/357814145.db2.gz XECNZWIDIBBLNE-MRXNPFEDSA-N 2 2 273.380 1.411 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156333719 358097077 /nfs/dbraw/zinc/09/70/77/358097077.db2.gz GYNSQDJDYOVYHO-JSGCOSHPSA-N 2 2 275.352 1.225 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156333719 358097081 /nfs/dbraw/zinc/09/70/81/358097081.db2.gz GYNSQDJDYOVYHO-JSGCOSHPSA-N 2 2 275.352 1.225 20 30 CDEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000179267338 366525156 /nfs/dbraw/zinc/52/51/56/366525156.db2.gz YCXMWKLSVGLSTM-INIZCTEOSA-N 2 2 299.422 1.560 20 30 CDEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000179267338 366525165 /nfs/dbraw/zinc/52/51/65/366525165.db2.gz YCXMWKLSVGLSTM-INIZCTEOSA-N 2 2 299.422 1.560 20 30 CDEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000274216145 359494927 /nfs/dbraw/zinc/49/49/27/359494927.db2.gz UNWVHMDEJBEMPU-UHFFFAOYSA-N 2 2 252.321 1.865 20 30 CDEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000274216145 359494929 /nfs/dbraw/zinc/49/49/29/359494929.db2.gz UNWVHMDEJBEMPU-UHFFFAOYSA-N 2 2 252.321 1.865 20 30 CDEDLP CC(C)(C#N)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336802985 359847103 /nfs/dbraw/zinc/84/71/03/359847103.db2.gz WRXPWBXQCIJSGR-UHFFFAOYSA-N 2 2 261.373 1.467 20 30 CDEDLP C=CC[N@@H+](C)CCN(CC)CCC[NH+]1CCOCC1 ZINC000429708145 360870637 /nfs/dbraw/zinc/87/06/37/360870637.db2.gz KXRAPXJYKBNEIO-UHFFFAOYSA-N 2 2 269.433 1.148 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)CCC[NH+]1CCOCC1 ZINC000429708145 360870639 /nfs/dbraw/zinc/87/06/39/360870639.db2.gz KXRAPXJYKBNEIO-UHFFFAOYSA-N 2 2 269.433 1.148 20 30 CDEDLP C[N@@H+]1CCN(CCNC(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000329358240 361489301 /nfs/dbraw/zinc/48/93/01/361489301.db2.gz WYZPHDVJWCDWAZ-UHFFFAOYSA-N 2 2 293.415 1.325 20 30 CDEDLP C[N@H+]1CCN(CCNC(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000329358240 361489302 /nfs/dbraw/zinc/48/93/02/361489302.db2.gz WYZPHDVJWCDWAZ-UHFFFAOYSA-N 2 2 293.415 1.325 20 30 CDEDLP C[N@@H+]1CCN(CCNC(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000329358240 361489303 /nfs/dbraw/zinc/48/93/03/361489303.db2.gz WYZPHDVJWCDWAZ-UHFFFAOYSA-N 2 2 293.415 1.325 20 30 CDEDLP C[N@H+]1CCN(CCNC(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000329358240 361489304 /nfs/dbraw/zinc/48/93/04/361489304.db2.gz WYZPHDVJWCDWAZ-UHFFFAOYSA-N 2 2 293.415 1.325 20 30 CDEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000329677078 361702419 /nfs/dbraw/zinc/70/24/19/361702419.db2.gz VAGKCWCPTYYAGD-YGRLFVJLSA-N 2 2 274.368 1.850 20 30 CDEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000329677078 361702423 /nfs/dbraw/zinc/70/24/23/361702423.db2.gz VAGKCWCPTYYAGD-YGRLFVJLSA-N 2 2 274.368 1.850 20 30 CDEDLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000329677078 361702426 /nfs/dbraw/zinc/70/24/26/361702426.db2.gz VAGKCWCPTYYAGD-YGRLFVJLSA-N 2 2 274.368 1.850 20 30 CDEDLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000329677078 361702429 /nfs/dbraw/zinc/70/24/29/361702429.db2.gz VAGKCWCPTYYAGD-YGRLFVJLSA-N 2 2 274.368 1.850 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000638524455 370731037 /nfs/dbraw/zinc/73/10/37/370731037.db2.gz OJLONFPZNLTDNN-ZDUSSCGKSA-N 2 2 260.385 1.648 20 30 CDEDLP CCCCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912348 365162335 /nfs/dbraw/zinc/16/23/35/365162335.db2.gz AKSMPVYLXUVDOS-UHFFFAOYSA-N 2 2 272.356 1.472 20 30 CDEDLP CC[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328941055 376016304 /nfs/dbraw/zinc/01/63/04/376016304.db2.gz STINXPQZLZAOJD-LBPRGKRZSA-N 2 2 276.384 1.886 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247132474 377060219 /nfs/dbraw/zinc/06/02/19/377060219.db2.gz QOGDUFPCRRCQBL-LSDHHAIUSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247132474 377060223 /nfs/dbraw/zinc/06/02/23/377060223.db2.gz QOGDUFPCRRCQBL-LSDHHAIUSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289874255 378351147 /nfs/dbraw/zinc/35/11/47/378351147.db2.gz RKNLODBFCKYBHP-QGZVFWFLSA-N 2 2 272.392 1.577 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289874255 378351152 /nfs/dbraw/zinc/35/11/52/378351152.db2.gz RKNLODBFCKYBHP-QGZVFWFLSA-N 2 2 272.392 1.577 20 30 CDEDLP C#CC[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289874255 378351155 /nfs/dbraw/zinc/35/11/55/378351155.db2.gz RKNLODBFCKYBHP-QGZVFWFLSA-N 2 2 272.392 1.577 20 30 CDEDLP C#CC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289874255 378351159 /nfs/dbraw/zinc/35/11/59/378351159.db2.gz RKNLODBFCKYBHP-QGZVFWFLSA-N 2 2 272.392 1.577 20 30 CDEDLP Cc1nc(N2CC[NH+](CCCCC#N)CC2)cc[nH+]1 ZINC000183768526 391268721 /nfs/dbraw/zinc/26/87/21/391268721.db2.gz KUWOURNGSFQUDG-UHFFFAOYSA-N 2 2 259.357 1.601 20 30 CDEDLP CCC[NH+]1CCC(NC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000330391881 391414032 /nfs/dbraw/zinc/41/40/32/391414032.db2.gz AHGYRNYQCISLGJ-CYBMUJFWSA-N 2 2 293.415 1.650 20 30 CDEDLP CCC[NH+]1CCC([NH+]=C([O-])N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000330391881 391414034 /nfs/dbraw/zinc/41/40/34/391414034.db2.gz AHGYRNYQCISLGJ-CYBMUJFWSA-N 2 2 293.415 1.650 20 30 CDEDLP CCC[NH+]1CCC(NC([O-])=[NH+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000330391881 391414038 /nfs/dbraw/zinc/41/40/38/391414038.db2.gz AHGYRNYQCISLGJ-CYBMUJFWSA-N 2 2 293.415 1.650 20 30 CDEDLP C=CCN(C)CC[N@H+](CC)CCn1cc[nH+]c1C ZINC000411647432 391501977 /nfs/dbraw/zinc/50/19/77/391501977.db2.gz YACISCJOKFDIJT-UHFFFAOYSA-N 2 2 250.390 1.631 20 30 CDEDLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329727558 391760055 /nfs/dbraw/zinc/76/00/55/391760055.db2.gz CLCNSZTTYJUSNF-RYUDHWBXSA-N 2 2 287.367 1.904 20 30 CDEDLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329727558 391760058 /nfs/dbraw/zinc/76/00/58/391760058.db2.gz CLCNSZTTYJUSNF-RYUDHWBXSA-N 2 2 287.367 1.904 20 30 CDEDLP C[C@@H]1C[NH+]=C(NC[C@H](c2ccsc2)[NH+](C)C)N1 ZINC000262680711 391811922 /nfs/dbraw/zinc/81/19/22/391811922.db2.gz WAKNYRCKIBQIGO-MWLCHTKSSA-N 2 2 252.387 1.288 20 30 CDEDLP CC[NH+]1CCC(NC(=O)C[N@H+](CCC#N)CC2CC2)CC1 ZINC000362488443 391856232 /nfs/dbraw/zinc/85/62/32/391856232.db2.gz XYMAWQIZGBDWEJ-UHFFFAOYSA-N 2 2 292.427 1.213 20 30 CDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000362488443 391856240 /nfs/dbraw/zinc/85/62/40/391856240.db2.gz XYMAWQIZGBDWEJ-UHFFFAOYSA-N 2 2 292.427 1.213 20 30 CDEDLP Cc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425205906 392993961 /nfs/dbraw/zinc/99/39/61/392993961.db2.gz JAWZAOPPSBCYMV-ZIAGYGMSSA-N 2 2 288.395 1.595 20 30 CDEDLP CN(C(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1)C1CC1 ZINC000273316368 263015321 /nfs/dbraw/zinc/01/53/21/263015321.db2.gz DPRPFJCMYSDXAJ-UHFFFAOYSA-N 2 2 278.375 1.666 20 30 CDEDLP CN(C(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1)C1CC1 ZINC000273316368 263015322 /nfs/dbraw/zinc/01/53/22/263015322.db2.gz DPRPFJCMYSDXAJ-UHFFFAOYSA-N 2 2 278.375 1.666 20 30 CDEDLP CN(C(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000273340674 263015749 /nfs/dbraw/zinc/01/57/49/263015749.db2.gz MYIJFIDZTXHPCT-UHFFFAOYSA-N 2 2 283.379 1.840 20 30 CDEDLP CC[NH+](CC)CCC[NH+]1CCC(C#N)(COC)CC1 ZINC000341979589 263370209 /nfs/dbraw/zinc/37/02/09/263370209.db2.gz BMNGVDLRTFOYSH-UHFFFAOYSA-N 2 2 267.417 1.970 20 30 CDEDLP 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ILBVWXMHPZTAOX-ZNMIVQPWSA-N 2 2 279.428 1.434 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001017637679 818097305 /nfs/dbraw/zinc/09/73/05/818097305.db2.gz ILBVWXMHPZTAOX-ZNMIVQPWSA-N 2 2 279.428 1.434 20 30 CDEDLP C#CCC[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031772026 818249551 /nfs/dbraw/zinc/24/95/51/818249551.db2.gz CYNFZQUGFCOMNJ-UHFFFAOYSA-N 2 2 282.347 1.248 20 30 CDEDLP C=C(Cl)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848532524 818521254 /nfs/dbraw/zinc/52/12/54/818521254.db2.gz BDNYHARJXXCBSR-CYBMUJFWSA-N 2 2 258.793 1.972 20 30 CDEDLP C[C@@H]1C(N=NC2=[NH+]CCN2)CCC[N@@H+]1Cc1ccccc1 ZINC000841659893 818871256 /nfs/dbraw/zinc/87/12/56/818871256.db2.gz MXCSYZGPLZWTKQ-CYBMUJFWSA-N 2 2 285.395 1.576 20 30 CDEDLP C[C@@H]1C(N=NC2=[NH+]CCN2)CCC[N@H+]1Cc1ccccc1 ZINC000841659893 818871258 /nfs/dbraw/zinc/87/12/58/818871258.db2.gz MXCSYZGPLZWTKQ-CYBMUJFWSA-N 2 2 285.395 1.576 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049625957 818913313 /nfs/dbraw/zinc/91/33/13/818913313.db2.gz NZKIHZNGALTOHD-GJZGRUSLSA-N 2 2 288.395 1.525 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049625957 818913318 /nfs/dbraw/zinc/91/33/18/818913318.db2.gz NZKIHZNGALTOHD-GJZGRUSLSA-N 2 2 288.395 1.525 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071994128 819100639 /nfs/dbraw/zinc/10/06/39/819100639.db2.gz CUCQJUHRWLYRKU-KGLIPLIRSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071994128 819100647 /nfs/dbraw/zinc/10/06/47/819100647.db2.gz CUCQJUHRWLYRKU-KGLIPLIRSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001055864 819140289 /nfs/dbraw/zinc/14/02/89/819140289.db2.gz NPKCOZJCVWFZDH-GFCCVEGCSA-N 2 2 282.775 1.216 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC=C(C)C ZINC001038365403 819325880 /nfs/dbraw/zinc/32/58/80/819325880.db2.gz CBCADTHNWZNWBC-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC=C(C)C ZINC001038365403 819325887 /nfs/dbraw/zinc/32/58/87/819325887.db2.gz CBCADTHNWZNWBC-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC=C(C)C ZINC001038365403 819325892 /nfs/dbraw/zinc/32/58/92/819325892.db2.gz CBCADTHNWZNWBC-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC=C(C)C ZINC001038365403 819325895 /nfs/dbraw/zinc/32/58/95/819325895.db2.gz CBCADTHNWZNWBC-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCC)C1 ZINC001042963905 820033045 /nfs/dbraw/zinc/03/30/45/820033045.db2.gz VMCZJYWCHQVWSM-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCC)C1 ZINC001042963905 820033058 /nfs/dbraw/zinc/03/30/58/820033058.db2.gz VMCZJYWCHQVWSM-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]12 ZINC001026366845 820284022 /nfs/dbraw/zinc/28/40/22/820284022.db2.gz QZAITHHMOIFEIK-VHDGCEQUSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCC(=O)N2)CC1 ZINC000813325322 820846308 /nfs/dbraw/zinc/84/63/08/820846308.db2.gz BRMHYUAMGDZKMJ-TZMCWYRMSA-N 2 2 265.401 1.284 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072081143 820886931 /nfs/dbraw/zinc/88/69/31/820886931.db2.gz HHIPFQFUDGZMFA-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072081143 820886941 /nfs/dbraw/zinc/88/69/41/820886941.db2.gz HHIPFQFUDGZMFA-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001017570690 821750763 /nfs/dbraw/zinc/75/07/63/821750763.db2.gz FNPFIFQXEIAWBX-XUWVNRHRSA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001017570690 821750778 /nfs/dbraw/zinc/75/07/78/821750778.db2.gz FNPFIFQXEIAWBX-XUWVNRHRSA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001017570690 821750811 /nfs/dbraw/zinc/75/08/11/821750811.db2.gz FNPFIFQXEIAWBX-XUWVNRHRSA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001017570690 821750822 /nfs/dbraw/zinc/75/08/22/821750822.db2.gz FNPFIFQXEIAWBX-XUWVNRHRSA-N 2 2 289.423 1.025 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018176902 822403635 /nfs/dbraw/zinc/40/36/35/822403635.db2.gz RZOMDUXOPWHUBQ-OKILXGFUSA-N 2 2 288.395 1.214 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018176902 822403641 /nfs/dbraw/zinc/40/36/41/822403641.db2.gz RZOMDUXOPWHUBQ-OKILXGFUSA-N 2 2 288.395 1.214 20 30 CDEDLP C=CC[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001006184564 822418328 /nfs/dbraw/zinc/41/83/28/822418328.db2.gz RZGUTLXFCHOFDW-UHFFFAOYSA-N 2 2 262.357 1.061 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001355 822549253 /nfs/dbraw/zinc/54/92/53/822549253.db2.gz VYRBNVFUSGTTDO-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001355 822549262 /nfs/dbraw/zinc/54/92/62/822549262.db2.gz VYRBNVFUSGTTDO-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848911368 822629014 /nfs/dbraw/zinc/62/90/14/822629014.db2.gz VCWNTIOSNYRGRT-HIFRSBDPSA-N 2 2 250.386 1.631 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799820 822631116 /nfs/dbraw/zinc/63/11/16/822631116.db2.gz QMQMINQPKWIRON-JOCQHMNTSA-N 2 2 296.802 1.653 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176870907 914315589 /nfs/dbraw/zinc/31/55/89/914315589.db2.gz NNNRFGCULOGRTN-UHFFFAOYSA-N 2 2 293.436 1.388 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176870907 914315603 /nfs/dbraw/zinc/31/56/03/914315603.db2.gz NNNRFGCULOGRTN-UHFFFAOYSA-N 2 2 293.436 1.388 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569287 914829496 /nfs/dbraw/zinc/82/94/96/914829496.db2.gz VCWKFKICSANIJU-CQSZACIVSA-N 2 2 288.395 1.123 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569287 914829515 /nfs/dbraw/zinc/82/95/15/914829515.db2.gz VCWKFKICSANIJU-CQSZACIVSA-N 2 2 288.395 1.123 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001088183601 906430248 /nfs/dbraw/zinc/43/02/48/906430248.db2.gz NXWRHFHRVIWFCX-KGLIPLIRSA-N 2 2 288.395 1.227 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001088183601 906430256 /nfs/dbraw/zinc/43/02/56/906430256.db2.gz NXWRHFHRVIWFCX-KGLIPLIRSA-N 2 2 288.395 1.227 20 30 CDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088434073 907176872 /nfs/dbraw/zinc/17/68/72/907176872.db2.gz OGZDKFPQQMRGAH-AWEZNQCLSA-N 2 2 276.384 1.430 20 30 CDEDLP N#Cc1c(Cl)ccnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867449 921707732 /nfs/dbraw/zinc/70/77/32/921707732.db2.gz QSDMVRKLXVPLTF-UHFFFAOYSA-N 2 2 279.775 1.442 20 30 CDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179691780 915931256 /nfs/dbraw/zinc/93/12/56/915931256.db2.gz ANUCMQLEUWCVQZ-YDHLFZDLSA-N 2 2 288.395 1.191 20 30 CDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179691780 915931263 /nfs/dbraw/zinc/93/12/63/915931263.db2.gz ANUCMQLEUWCVQZ-YDHLFZDLSA-N 2 2 288.395 1.191 20 30 CDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001180033423 916130102 /nfs/dbraw/zinc/13/01/02/916130102.db2.gz QFDCHVBGBABLHM-ZFWWWQNUSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1 ZINC001181988042 917530684 /nfs/dbraw/zinc/53/06/84/917530684.db2.gz ZWGKPLPBWRKBER-UHFFFAOYSA-N 2 2 265.401 1.049 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001054795156 936472490 /nfs/dbraw/zinc/47/24/90/936472490.db2.gz UIXSOLWRYIROMU-TZMCWYRMSA-N 2 2 290.411 1.549 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001054924463 936478830 /nfs/dbraw/zinc/47/88/30/936478830.db2.gz FPPPHWCULDODSQ-KBPBESRZSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183271675 918422178 /nfs/dbraw/zinc/42/21/78/918422178.db2.gz NLLYEDKOQAWYSE-MLGOLLRUSA-N 2 2 290.411 1.521 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492267 919145011 /nfs/dbraw/zinc/14/50/11/919145011.db2.gz PHDLZBQWFIRWBJ-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001036252778 923130514 /nfs/dbraw/zinc/13/05/14/923130514.db2.gz IUQATWXRRNDKFT-HIFRSBDPSA-N 2 2 290.411 1.365 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000837009568 936817995 /nfs/dbraw/zinc/81/79/95/936817995.db2.gz YIORYPHCUUNYEH-CABCVRRESA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000837009568 936817997 /nfs/dbraw/zinc/81/79/97/936817997.db2.gz YIORYPHCUUNYEH-CABCVRRESA-N 2 2 277.412 1.027 20 30 CDEDLP N#Cc1ccc(Cl)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205680774 924395312 /nfs/dbraw/zinc/39/53/12/924395312.db2.gz AFGFLAQALIANQA-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205680774 924395317 /nfs/dbraw/zinc/39/53/17/924395317.db2.gz AFGFLAQALIANQA-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085589329 926195939 /nfs/dbraw/zinc/19/59/39/926195939.db2.gz JLRUOUFUFFXTNV-JKSUJKDBSA-N 2 2 291.439 1.415 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085589329 926195945 /nfs/dbraw/zinc/19/59/45/926195945.db2.gz JLRUOUFUFFXTNV-JKSUJKDBSA-N 2 2 291.439 1.415 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085589329 926195949 /nfs/dbraw/zinc/19/59/49/926195949.db2.gz JLRUOUFUFFXTNV-JKSUJKDBSA-N 2 2 291.439 1.415 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085589329 926195955 /nfs/dbraw/zinc/19/59/55/926195955.db2.gz JLRUOUFUFFXTNV-JKSUJKDBSA-N 2 2 291.439 1.415 20 30 CDEDLP N#Cc1cc(-c2[nH]cc[nH+]2)ccc1N1CC[NH2+]CC1 ZINC001242015663 927279819 /nfs/dbraw/zinc/27/98/19/927279819.db2.gz LEDOZLVZRFFXGT-UHFFFAOYSA-N 2 2 253.309 1.358 20 30 CDEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086722247 929722137 /nfs/dbraw/zinc/72/21/37/929722137.db2.gz SDJIFXIYNZXOJU-REWJHTLYSA-N 2 2 288.395 1.574 20 30 CDEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086722247 929722140 /nfs/dbraw/zinc/72/21/40/929722140.db2.gz SDJIFXIYNZXOJU-REWJHTLYSA-N 2 2 288.395 1.574 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080168 930041310 /nfs/dbraw/zinc/04/13/10/930041310.db2.gz LXMQJSXOHNIWFB-LBPRGKRZSA-N 2 2 264.373 1.260 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080168 930041318 /nfs/dbraw/zinc/04/13/18/930041318.db2.gz LXMQJSXOHNIWFB-LBPRGKRZSA-N 2 2 264.373 1.260 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135132779 930068138 /nfs/dbraw/zinc/06/81/38/930068138.db2.gz UHMWLDUNMVBYKZ-UONOGXRCSA-N 2 2 278.400 1.722 20 30 CDEDLP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712164 932286941 /nfs/dbraw/zinc/28/69/41/932286941.db2.gz AKXCWWJDJCXMKD-HUUCEWRRSA-N 2 2 290.411 1.560 20 30 CDEDLP COc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)ncc1C#N ZINC001155052325 937627634 /nfs/dbraw/zinc/62/76/34/937627634.db2.gz AXBUCCWDAFJZSI-UHFFFAOYSA-N 2 2 284.323 1.010 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208368 935421283 /nfs/dbraw/zinc/42/12/83/935421283.db2.gz OZOKZQWQCKBRFD-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208368 935421285 /nfs/dbraw/zinc/42/12/85/935421285.db2.gz OZOKZQWQCKBRFD-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001018214770 935662989 /nfs/dbraw/zinc/66/29/89/935662989.db2.gz WIEOVUOGNQZYOP-OKILXGFUSA-N 2 2 288.395 1.512 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001018214770 935662991 /nfs/dbraw/zinc/66/29/91/935662991.db2.gz WIEOVUOGNQZYOP-OKILXGFUSA-N 2 2 288.395 1.512 20 30 CDEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001121962824 937895051 /nfs/dbraw/zinc/89/50/51/937895051.db2.gz QGAXWOXZBWDFPH-UHFFFAOYSA-N 2 2 288.395 1.545 20 30 CDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383278 938360608 /nfs/dbraw/zinc/36/06/08/938360608.db2.gz JTVUSYRWXKZEAF-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383278 938360610 /nfs/dbraw/zinc/36/06/10/938360610.db2.gz JTVUSYRWXKZEAF-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942536 938437036 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362627766 /nfs/dbraw/zinc/62/77/66/362627766.db2.gz CEAYQFVNVQTNIN-HUUCEWRRSA-N 2 2 253.434 1.957 20 30 CDEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000615224344 348397834 /nfs/dbraw/zinc/39/78/34/348397834.db2.gz KJTKPSBVUZUOGR-ZDUSSCGKSA-N 2 2 287.367 1.082 20 30 CDEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000615224344 348397835 /nfs/dbraw/zinc/39/78/35/348397835.db2.gz KJTKPSBVUZUOGR-ZDUSSCGKSA-N 2 2 287.367 1.082 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602667489 350139649 /nfs/dbraw/zinc/13/96/49/350139649.db2.gz PDZOVTMCNNSCTE-LBPRGKRZSA-N 2 2 267.336 1.676 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602667489 350139653 /nfs/dbraw/zinc/13/96/53/350139653.db2.gz PDZOVTMCNNSCTE-LBPRGKRZSA-N 2 2 267.336 1.676 20 30 CDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C#N)n3)C2)C1 ZINC000602671778 350141099 /nfs/dbraw/zinc/14/10/99/350141099.db2.gz IIWDSJKRLAMCAR-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C#N)n3)C2)C1 ZINC000602671778 350141102 /nfs/dbraw/zinc/14/11/02/350141102.db2.gz IIWDSJKRLAMCAR-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(C#N)n3)C2)C1 ZINC000602671778 350141104 /nfs/dbraw/zinc/14/11/04/350141104.db2.gz IIWDSJKRLAMCAR-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(C#N)n3)C2)C1 ZINC000602671778 350141106 /nfs/dbraw/zinc/14/11/06/350141106.db2.gz IIWDSJKRLAMCAR-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271601810 191235797 /nfs/dbraw/zinc/23/57/97/191235797.db2.gz AWXSZZPZKSNMFL-UHFFFAOYSA-N 2 2 276.384 1.406 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271601810 191235800 /nfs/dbraw/zinc/23/58/00/191235800.db2.gz AWXSZZPZKSNMFL-UHFFFAOYSA-N 2 2 276.384 1.406 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000157754455 188336745 /nfs/dbraw/zinc/33/67/45/188336745.db2.gz XPBBNNVNZHXAAZ-AWEZNQCLSA-N 2 2 262.401 1.902 20 30 CDEDLP C[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000328700698 538331503 /nfs/dbraw/zinc/33/15/03/538331503.db2.gz MXBHJJJALOMDIH-UHFFFAOYSA-N 2 2 291.399 1.597 20 30 CDEDLP Cn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000336327760 356150978 /nfs/dbraw/zinc/15/09/78/356150978.db2.gz YEBOGLZEHYBKBD-GFCCVEGCSA-N 2 2 255.325 1.198 20 30 CDEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)cnc12 ZINC000559272571 356454095 /nfs/dbraw/zinc/45/40/95/356454095.db2.gz PQSVLURUTVIHQI-UHFFFAOYSA-N 2 2 296.378 1.317 20 30 CDEDLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000566568904 358114028 /nfs/dbraw/zinc/11/40/28/358114028.db2.gz DEDJLOIDGIAUEJ-KRWDZBQOSA-N 2 2 287.407 1.835 20 30 CDEDLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000566568904 358114033 /nfs/dbraw/zinc/11/40/33/358114033.db2.gz DEDJLOIDGIAUEJ-KRWDZBQOSA-N 2 2 287.407 1.835 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000566568904 358114038 /nfs/dbraw/zinc/11/40/38/358114038.db2.gz DEDJLOIDGIAUEJ-KRWDZBQOSA-N 2 2 287.407 1.835 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000566568904 358114041 /nfs/dbraw/zinc/11/40/41/358114041.db2.gz DEDJLOIDGIAUEJ-KRWDZBQOSA-N 2 2 287.407 1.835 20 30 CDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000120353905 358793832 /nfs/dbraw/zinc/79/38/32/358793832.db2.gz GJPDKJHUHYEYIQ-AWEZNQCLSA-N 2 2 273.380 1.616 20 30 CDEDLP COc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000234949230 359034020 /nfs/dbraw/zinc/03/40/20/359034020.db2.gz ZDUHHIXUZCUEEE-GFCCVEGCSA-N 2 2 270.336 1.942 20 30 CDEDLP C#Cc1cccc(NC(=O)C[N@H+](C)CCn2cc[nH+]c2C)c1 ZINC000270825667 359416699 /nfs/dbraw/zinc/41/66/99/359416699.db2.gz KJXBROBZMPTXDC-UHFFFAOYSA-N 2 2 296.374 1.743 20 30 CDEDLP C#Cc1cccc(NC(=O)C[N@@H+](C)CCn2cc[nH+]c2C)c1 ZINC000270825667 359416703 /nfs/dbraw/zinc/41/67/03/359416703.db2.gz KJXBROBZMPTXDC-UHFFFAOYSA-N 2 2 296.374 1.743 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337443506 360135637 /nfs/dbraw/zinc/13/56/37/360135637.db2.gz HEJLFZZCDOSEOC-HNNXBMFYSA-N 2 2 252.402 1.997 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337443506 360135642 /nfs/dbraw/zinc/13/56/42/360135642.db2.gz HEJLFZZCDOSEOC-HNNXBMFYSA-N 2 2 252.402 1.997 20 30 CDEDLP C[C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1C1CC1 ZINC000329321265 361478467 /nfs/dbraw/zinc/47/84/67/361478467.db2.gz FDPJAGDZTPLPOQ-GHMZBOCLSA-N 2 2 262.357 1.924 20 30 CDEDLP C[C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1C1CC1 ZINC000329321265 361478471 /nfs/dbraw/zinc/47/84/71/361478471.db2.gz FDPJAGDZTPLPOQ-GHMZBOCLSA-N 2 2 262.357 1.924 20 30 CDEDLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000087823678 361677127 /nfs/dbraw/zinc/67/71/27/361677127.db2.gz SQANHWLEUHKDBZ-GFCCVEGCSA-N 2 2 270.336 1.942 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000570890725 364086151 /nfs/dbraw/zinc/08/61/51/364086151.db2.gz AQECDOWIQBBSBZ-GDBMZVCRSA-N 2 2 282.428 1.499 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000570890725 364086155 /nfs/dbraw/zinc/08/61/55/364086155.db2.gz AQECDOWIQBBSBZ-GDBMZVCRSA-N 2 2 282.428 1.499 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000490779826 364319949 /nfs/dbraw/zinc/31/99/49/364319949.db2.gz ZZJZHOYPPRWZCJ-CQSZACIVSA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000490779826 364319958 /nfs/dbraw/zinc/31/99/58/364319958.db2.gz ZZJZHOYPPRWZCJ-CQSZACIVSA-N 2 2 289.423 1.027 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245451921 376047911 /nfs/dbraw/zinc/04/79/11/376047911.db2.gz PXWBVZRAIOIFMW-CABCVRRESA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245451921 376047913 /nfs/dbraw/zinc/04/79/13/376047913.db2.gz PXWBVZRAIOIFMW-CABCVRRESA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245451921 376047915 /nfs/dbraw/zinc/04/79/15/376047915.db2.gz PXWBVZRAIOIFMW-CABCVRRESA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245451921 376047918 /nfs/dbraw/zinc/04/79/18/376047918.db2.gz PXWBVZRAIOIFMW-CABCVRRESA-N 2 2 294.443 1.268 20 30 CDEDLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000289431665 197344345 /nfs/dbraw/zinc/34/43/45/197344345.db2.gz XRKOZBPYZMWDMR-WBMJQRKESA-N 2 2 273.380 1.664 20 30 CDEDLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000289431665 197344346 /nfs/dbraw/zinc/34/43/46/197344346.db2.gz XRKOZBPYZMWDMR-WBMJQRKESA-N 2 2 273.380 1.664 20 30 CDEDLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1C#N ZINC000281674433 195331146 /nfs/dbraw/zinc/33/11/46/195331146.db2.gz LVONGJONNDCLGC-HNNXBMFYSA-N 2 2 289.379 1.113 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000104154784 390485156 /nfs/dbraw/zinc/48/51/56/390485156.db2.gz GLYAGBOWMBYGTF-NSHDSACASA-N 2 2 266.414 1.831 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244001 390671296 /nfs/dbraw/zinc/67/12/96/390671296.db2.gz KQXDUYAGOATKRC-CYBMUJFWSA-N 2 2 289.383 1.281 20 30 CDEDLP C[NH+]=C(NC1CCC1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261999481 391752470 /nfs/dbraw/zinc/75/24/70/391752470.db2.gz TZFZVEBMEQICGW-OCCSQVGLSA-N 2 2 275.400 1.894 20 30 CDEDLP CCc1ccc([C@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1 ZINC000262670933 391810468 /nfs/dbraw/zinc/81/04/68/391810468.db2.gz QVPOJIDVJDHJJX-HNNXBMFYSA-N 2 2 274.412 1.743 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989217 391870151 /nfs/dbraw/zinc/87/01/51/391870151.db2.gz IPSGMTRQVRJKSF-HNNXBMFYSA-N 2 2 281.444 1.827 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989217 391870156 /nfs/dbraw/zinc/87/01/56/391870156.db2.gz IPSGMTRQVRJKSF-HNNXBMFYSA-N 2 2 281.444 1.827 20 30 CDEDLP Cc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C#N)c[nH+]1 ZINC000425204690 392993723 /nfs/dbraw/zinc/99/37/23/392993723.db2.gz UTNNBFRMKKLLDI-HNNXBMFYSA-N 2 2 288.395 1.452 20 30 CDEDLP Cc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(C#N)c[nH+]1 ZINC000425204690 392993724 /nfs/dbraw/zinc/99/37/24/392993724.db2.gz UTNNBFRMKKLLDI-HNNXBMFYSA-N 2 2 288.395 1.452 20 30 CDEDLP Cc1cc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1C#N ZINC000487876575 393282577 /nfs/dbraw/zinc/28/25/77/393282577.db2.gz RQTBAOGRQHNFAP-UHFFFAOYSA-N 2 2 295.390 1.908 20 30 CDEDLP C=C(CNc1cc[nH+]c(C)n1)CNc1cc[nH+]c(C)n1 ZINC000664629401 413557026 /nfs/dbraw/zinc/55/70/26/413557026.db2.gz SAZIYEQBPOVNFP-UHFFFAOYSA-N 2 2 270.340 1.964 20 30 CDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1C[C@@H](C)C[C@H](C)C1 ZINC000073066892 260279788 /nfs/dbraw/zinc/27/97/88/260279788.db2.gz LVDDGLHQRFVWTB-KBPBESRZSA-N 2 2 277.416 1.827 20 30 CDEDLP C=CCc1cc(C[NH2+][C@H]2CC[NH2+]C2)cc(OC)c1O ZINC000414883616 263098466 /nfs/dbraw/zinc/09/84/66/263098466.db2.gz NPFPUHGVRQXPCH-ZDUSSCGKSA-N 2 2 262.353 1.581 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000353573037 263179206 /nfs/dbraw/zinc/17/92/06/263179206.db2.gz GXHZGBCYOHKGQC-NUEKZKHPSA-N 2 2 260.381 1.958 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353573037 263179207 /nfs/dbraw/zinc/17/92/07/263179207.db2.gz GXHZGBCYOHKGQC-NUEKZKHPSA-N 2 2 260.381 1.958 20 30 CDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H](C)C(C)C ZINC000262763228 328151860 /nfs/dbraw/zinc/15/18/60/328151860.db2.gz GLUROTPNJGOVPF-LLVKDONJSA-N 2 2 280.420 1.196 20 30 CDEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H](C)O1 ZINC000517232101 326863708 /nfs/dbraw/zinc/86/37/08/326863708.db2.gz WKXDZMNWOGMXCZ-OWYFMNJBSA-N 2 2 295.427 1.128 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564845608 327009393 /nfs/dbraw/zinc/00/93/93/327009393.db2.gz VEVQXHDSRXSTRP-INIZCTEOSA-N 3 2 281.444 1.072 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000564845608 327009394 /nfs/dbraw/zinc/00/93/94/327009394.db2.gz VEVQXHDSRXSTRP-INIZCTEOSA-N 3 2 281.444 1.072 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000429682901 330059392 /nfs/dbraw/zinc/05/93/92/330059392.db2.gz HNZXYHZEBKKBSO-QLFBSQMISA-N 2 2 263.385 1.333 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000429682901 330059393 /nfs/dbraw/zinc/05/93/93/330059393.db2.gz HNZXYHZEBKKBSO-QLFBSQMISA-N 2 2 263.385 1.333 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000424130229 330260634 /nfs/dbraw/zinc/26/06/34/330260634.db2.gz HFSFQGMHVYZZGU-CYBMUJFWSA-N 2 2 285.351 1.014 20 30 CDEDLP C[NH+](C)CCCN(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862883 332416422 /nfs/dbraw/zinc/41/64/22/332416422.db2.gz LJPSYRSNDBEKBZ-WAYWQWQTSA-N 2 2 275.356 1.117 20 30 CDEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000174959446 333011845 /nfs/dbraw/zinc/01/18/45/333011845.db2.gz WYFOESYYPKLPLJ-LSDHHAIUSA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000174959446 333011846 /nfs/dbraw/zinc/01/18/46/333011846.db2.gz WYFOESYYPKLPLJ-LSDHHAIUSA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000174959446 333011847 /nfs/dbraw/zinc/01/18/47/333011847.db2.gz WYFOESYYPKLPLJ-LSDHHAIUSA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000174959446 333011848 /nfs/dbraw/zinc/01/18/48/333011848.db2.gz WYFOESYYPKLPLJ-LSDHHAIUSA-N 2 2 294.443 1.411 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753634975 1159865518 /nfs/dbraw/zinc/86/55/18/1159865518.db2.gz VVLVIHQYXHAHRW-ZIAGYGMSSA-N 2 2 278.400 1.752 20 30 CDEDLP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753634974 1159864335 /nfs/dbraw/zinc/86/43/35/1159864335.db2.gz VVLVIHQYXHAHRW-UONOGXRCSA-N 2 2 278.400 1.752 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000988749552 1160646055 /nfs/dbraw/zinc/64/60/55/1160646055.db2.gz IJIALWPAYCEXEV-NWDGAFQWSA-N 2 2 296.802 1.674 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C)(CC)CC2)CC1 ZINC000748813493 576926364 /nfs/dbraw/zinc/92/63/64/576926364.db2.gz SMMKFESRJQYDQP-UHFFFAOYSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000749652229 576956754 /nfs/dbraw/zinc/95/67/54/576956754.db2.gz FKKKPAIUEKOGEF-OAHLLOKOSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000749652229 576956756 /nfs/dbraw/zinc/95/67/56/576956756.db2.gz FKKKPAIUEKOGEF-OAHLLOKOSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981556414 613159106 /nfs/dbraw/zinc/15/91/06/613159106.db2.gz JYFXDFHEEUHXKR-UHFFFAOYSA-N 2 2 282.347 1.115 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981556414 613159107 /nfs/dbraw/zinc/15/91/07/613159107.db2.gz 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C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960558951 613345610 /nfs/dbraw/zinc/34/56/10/613345610.db2.gz LZNPIPPYSCSEFR-VIKVFOODSA-N 2 2 296.374 1.799 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972330109 613368064 /nfs/dbraw/zinc/36/80/64/613368064.db2.gz DNYWBFSYXSYXPU-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000972330109 613368065 /nfs/dbraw/zinc/36/80/65/613368065.db2.gz DNYWBFSYXSYXPU-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000972330109 613368066 /nfs/dbraw/zinc/36/80/66/613368066.db2.gz DNYWBFSYXSYXPU-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000972330109 613368067 /nfs/dbraw/zinc/36/80/67/613368067.db2.gz DNYWBFSYXSYXPU-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000951757828 613716265 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20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000873253043 826086704 /nfs/dbraw/zinc/08/67/04/826086704.db2.gz YDZIWNOVBMEJFG-CALCHBBNSA-N 3 2 298.434 1.850 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001007686419 826121541 /nfs/dbraw/zinc/12/15/41/826121541.db2.gz KJRDFOLZUMBGSG-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001007686419 826121545 /nfs/dbraw/zinc/12/15/45/826121545.db2.gz KJRDFOLZUMBGSG-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001036006019 826335846 /nfs/dbraw/zinc/33/58/46/826335846.db2.gz WBPJEZUQDBACTP-QWHCGFSZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734053 826343646 /nfs/dbraw/zinc/34/36/46/826343646.db2.gz LWSKJFTVBSPYLP-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734053 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1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001014780661 826431316 /nfs/dbraw/zinc/43/13/16/826431316.db2.gz URUNNEBHAUUKQQ-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)C1 ZINC001014780661 826431337 /nfs/dbraw/zinc/43/13/37/826431337.db2.gz URUNNEBHAUUKQQ-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)C1 ZINC001014780661 826431362 /nfs/dbraw/zinc/43/13/62/826431362.db2.gz URUNNEBHAUUKQQ-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038648501 826444814 /nfs/dbraw/zinc/44/48/14/826444814.db2.gz WJAJPHJQHMLHQR-AWEZNQCLSA-N 2 2 291.395 1.721 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038648501 826444823 /nfs/dbraw/zinc/44/48/23/826444823.db2.gz WJAJPHJQHMLHQR-AWEZNQCLSA-N 2 2 291.395 1.721 20 30 CDEDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000925622516 826558507 /nfs/dbraw/zinc/55/85/07/826558507.db2.gz POZPNIIBLIUJAA-SWLSCSKDSA-N 2 2 259.353 1.819 20 30 CDEDLP C#C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000781917546 826738150 /nfs/dbraw/zinc/73/81/50/826738150.db2.gz LQIYMTQISMQJLS-LSDHHAIUSA-N 2 2 250.386 1.633 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnnn2C)CC1 ZINC000820809804 827016886 /nfs/dbraw/zinc/01/68/86/827016886.db2.gz INGVAZXEZQZKBP-LBPRGKRZSA-N 2 2 263.389 1.506 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009224160 827079097 /nfs/dbraw/zinc/07/90/97/827079097.db2.gz JLTXXEHCSFYDMC-CYBMUJFWSA-N 2 2 297.830 1.415 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009224160 827079107 /nfs/dbraw/zinc/07/91/07/827079107.db2.gz JLTXXEHCSFYDMC-CYBMUJFWSA-N 2 2 297.830 1.415 20 30 CDEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817922044 827185028 /nfs/dbraw/zinc/18/50/28/827185028.db2.gz OCPOIDCEIKAZOU-KGLIPLIRSA-N 2 2 280.393 1.322 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801961 827187242 /nfs/dbraw/zinc/18/72/42/827187242.db2.gz VGFGOSVTTCJAJG-CQSZACIVSA-N 2 2 282.347 1.162 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801961 827187247 /nfs/dbraw/zinc/18/72/47/827187247.db2.gz VGFGOSVTTCJAJG-CQSZACIVSA-N 2 2 282.347 1.162 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000883131285 827243422 /nfs/dbraw/zinc/24/34/22/827243422.db2.gz UPFZVQWMHRJUQO-UHFFFAOYSA-N 2 2 257.381 1.615 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000883131285 827243441 /nfs/dbraw/zinc/24/34/41/827243441.db2.gz UPFZVQWMHRJUQO-UHFFFAOYSA-N 2 2 257.381 1.615 20 30 CDEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)Nc1ccccn1 ZINC000170905263 827282180 /nfs/dbraw/zinc/28/21/80/827282180.db2.gz GHGRGWUKVWCGFZ-UHFFFAOYSA-N 2 2 270.340 1.705 20 30 CDEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001006194673 827305756 /nfs/dbraw/zinc/30/57/56/827305756.db2.gz YVXVYJJCGVEXNP-UHFFFAOYSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004251797 827369826 /nfs/dbraw/zinc/36/98/26/827369826.db2.gz AKUCLBGSZHCYRK-UHFFFAOYSA-N 2 2 262.357 1.040 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038868329 827386941 /nfs/dbraw/zinc/38/69/41/827386941.db2.gz QTBKAKNWZWDYDK-HNNXBMFYSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038868329 827386959 /nfs/dbraw/zinc/38/69/59/827386959.db2.gz QTBKAKNWZWDYDK-HNNXBMFYSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016903355 827454401 /nfs/dbraw/zinc/45/44/01/827454401.db2.gz ZMLRAONBPBWNFH-CYBMUJFWSA-N 2 2 288.395 1.499 20 30 CDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000049235063 827922286 /nfs/dbraw/zinc/92/22/86/827922286.db2.gz GPYFPABJQJZRBL-IUODEOHRSA-N 2 2 270.336 1.466 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391267 827973240 /nfs/dbraw/zinc/97/32/40/827973240.db2.gz QFMQRWKOHWVXED-AWEZNQCLSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391267 827973279 /nfs/dbraw/zinc/97/32/79/827973279.db2.gz QFMQRWKOHWVXED-AWEZNQCLSA-N 2 2 299.846 1.613 20 30 CDEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175460203 913637622 /nfs/dbraw/zinc/63/76/22/913637622.db2.gz DLVQPNQKZONAMO-CYBMUJFWSA-N 2 2 278.400 1.793 20 30 CDEDLP N#CCc1cc(-n2nc(C[NH3+])c3ccccc32)cc[nH+]1 ZINC001167699846 898589057 /nfs/dbraw/zinc/58/90/57/898589057.db2.gz CPCAOFMUWQBIKF-UHFFFAOYSA-N 2 2 263.304 1.945 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167894728 901708694 /nfs/dbraw/zinc/70/86/94/901708694.db2.gz RLSIGVPRPBDTHP-UHFFFAOYSA-N 2 2 276.384 1.323 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001003703400 921405014 /nfs/dbraw/zinc/40/50/14/921405014.db2.gz UDCDCYQWLUPIJD-UHFFFAOYSA-N 2 2 262.357 1.109 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784259 910958759 /nfs/dbraw/zinc/95/87/59/910958759.db2.gz MFELEMYOSATFNN-AWEZNQCLSA-N 2 2 298.390 1.846 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116429 918290409 /nfs/dbraw/zinc/29/04/09/918290409.db2.gz PKUZGTZZUYECGP-CYBMUJFWSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116429 918290427 /nfs/dbraw/zinc/29/04/27/918290427.db2.gz PKUZGTZZUYECGP-CYBMUJFWSA-N 2 2 262.357 1.109 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184272637 918965366 /nfs/dbraw/zinc/96/53/66/918965366.db2.gz GZYNTHMEEICLGH-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072122098 936698934 /nfs/dbraw/zinc/69/89/34/936698934.db2.gz FQSHZACSCUYJRI-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072122098 936698936 /nfs/dbraw/zinc/69/89/36/936698936.db2.gz FQSHZACSCUYJRI-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194439210 924237748 /nfs/dbraw/zinc/23/77/48/924237748.db2.gz HTROSIDKFVDFJM-HNNXBMFYSA-N 2 2 290.411 1.772 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194439210 924237761 /nfs/dbraw/zinc/23/77/61/924237761.db2.gz HTROSIDKFVDFJM-HNNXBMFYSA-N 2 2 290.411 1.772 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001079990495 924462778 /nfs/dbraw/zinc/46/27/78/924462778.db2.gz FSNXENMLGOLUQU-MGPQQGTHSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001079990495 924462780 /nfs/dbraw/zinc/46/27/80/924462780.db2.gz FSNXENMLGOLUQU-MGPQQGTHSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080469972 924572444 /nfs/dbraw/zinc/57/24/44/924572444.db2.gz FTIATQCGEAZPEW-AAVRWANBSA-N 2 2 288.395 1.146 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687322 925357815 /nfs/dbraw/zinc/35/78/15/925357815.db2.gz WPOKGRDDPJVOAN-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687322 925357825 /nfs/dbraw/zinc/35/78/25/925357825.db2.gz WPOKGRDDPJVOAN-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCc1cc(C)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072791 927687555 /nfs/dbraw/zinc/68/75/55/927687555.db2.gz YOXQYBVZOWFNMV-CYBMUJFWSA-N 2 2 272.352 1.166 20 30 CDEDLP CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001169125242 927737393 /nfs/dbraw/zinc/73/73/93/927737393.db2.gz XBXAQPCIORQHLK-NWBUJAPZSA-N 2 2 269.389 1.121 20 30 CDEDLP CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NO ZINC001169125242 927737397 /nfs/dbraw/zinc/73/73/97/927737397.db2.gz XBXAQPCIORQHLK-NWBUJAPZSA-N 2 2 269.389 1.121 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134517437 929778198 /nfs/dbraw/zinc/77/81/98/929778198.db2.gz HGKITMJXVHCNRQ-GFCCVEGCSA-N 2 2 250.346 1.116 20 30 CDEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135054759 930024042 /nfs/dbraw/zinc/02/40/42/930024042.db2.gz AWODQUXIYHVNNV-KGLIPLIRSA-N 2 2 290.411 1.249 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135575842 930275356 /nfs/dbraw/zinc/27/53/56/930275356.db2.gz MBCXFKGMOXHMCD-QWRGUYRKSA-N 2 2 284.791 1.578 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754617 930390013 /nfs/dbraw/zinc/39/00/13/930390013.db2.gz FGQNQXRSNYCBPN-LLVKDONJSA-N 2 2 250.346 1.013 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358879 932858891 /nfs/dbraw/zinc/85/88/91/932858891.db2.gz MMKOVEMOWBMESC-BFHYXJOUSA-N 2 2 288.395 1.411 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358879 932858893 /nfs/dbraw/zinc/85/88/93/932858893.db2.gz MMKOVEMOWBMESC-BFHYXJOUSA-N 2 2 288.395 1.411 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)C ZINC001038367320 935742137 /nfs/dbraw/zinc/74/21/37/935742137.db2.gz LRINYTBZEIZAFL-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)C ZINC001038367320 935742138 /nfs/dbraw/zinc/74/21/38/935742138.db2.gz LRINYTBZEIZAFL-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)C ZINC001038367320 935742141 /nfs/dbraw/zinc/74/21/41/935742141.db2.gz LRINYTBZEIZAFL-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)C ZINC001038367320 935742143 /nfs/dbraw/zinc/74/21/43/935742143.db2.gz LRINYTBZEIZAFL-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001097343022 936294854 /nfs/dbraw/zinc/29/48/54/936294854.db2.gz DQCBLAVZLXVBOU-LVQVYYBASA-N 2 2 289.423 1.216 20 30 CDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001097343022 936294857 /nfs/dbraw/zinc/29/48/57/936294857.db2.gz DQCBLAVZLXVBOU-LVQVYYBASA-N 2 2 289.423 1.216 20 30 CDEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001097343022 936294860 /nfs/dbraw/zinc/29/48/60/936294860.db2.gz DQCBLAVZLXVBOU-LVQVYYBASA-N 2 2 289.423 1.216 20 30 CDEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001097343022 936294862 /nfs/dbraw/zinc/29/48/62/936294862.db2.gz DQCBLAVZLXVBOU-LVQVYYBASA-N 2 2 289.423 1.216 20 30 CDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156623885 938396053 /nfs/dbraw/zinc/39/60/53/938396053.db2.gz QPMJBIMPLVHGMG-GFCCVEGCSA-N 2 2 276.384 1.111 20 30 CDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156623885 938396054 /nfs/dbraw/zinc/39/60/54/938396054.db2.gz QPMJBIMPLVHGMG-GFCCVEGCSA-N 2 2 276.384 1.111 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ncc(Cl)nc1C#N)CC[NH2+]CC2 ZINC001165351453 939550021 /nfs/dbraw/zinc/55/00/21/939550021.db2.gz FZKOEWQBANLIMF-UHFFFAOYSA-N 2 2 288.742 1.184 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166967335 939663604 /nfs/dbraw/zinc/66/36/04/939663604.db2.gz JXMLKZYKFHXPIU-CHWSQXEVSA-N 2 2 276.384 1.196 20 30 CDEDLP C=CCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206872433 940104840 /nfs/dbraw/zinc/10/48/40/940104840.db2.gz DYLARRLURAGTBB-UHFFFAOYSA-N 2 2 290.411 1.367 20 30 CDEDLP N#Cc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235038879 944017238 /nfs/dbraw/zinc/01/72/38/944017238.db2.gz RGOVCGDPODGADF-JKSUJKDBSA-N 2 2 255.365 1.927 20 30 CDEDLP N#Cc1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235038879 944017248 /nfs/dbraw/zinc/01/72/48/944017248.db2.gz RGOVCGDPODGADF-JKSUJKDBSA-N 2 2 255.365 1.927 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235124688 944064475 /nfs/dbraw/zinc/06/44/75/944064475.db2.gz TWNGWJDTSNHASK-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235124688 944064485 /nfs/dbraw/zinc/06/44/85/944064485.db2.gz TWNGWJDTSNHASK-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235124688 944064490 /nfs/dbraw/zinc/06/44/90/944064490.db2.gz TWNGWJDTSNHASK-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235124688 944064501 /nfs/dbraw/zinc/06/45/01/944064501.db2.gz TWNGWJDTSNHASK-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](CCC#N)CC2)C1 ZINC001277939492 944134242 /nfs/dbraw/zinc/13/42/42/944134242.db2.gz UVHIRNRXNXXFLQ-UHFFFAOYSA-N 2 2 278.444 1.640 20 30 CDEDLP CN(C)CC[N@H+]1CCCC2(CC[NH+](CCC#N)CC2)C1 ZINC001277939492 944134246 /nfs/dbraw/zinc/13/42/46/944134246.db2.gz UVHIRNRXNXXFLQ-UHFFFAOYSA-N 2 2 278.444 1.640 20 30 CDEDLP C=CC[NH2+]CCN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001237043049 944642604 /nfs/dbraw/zinc/64/26/04/944642604.db2.gz QGLLNGVULZNBOT-AWEZNQCLSA-N 2 2 287.398 1.958 20 30 CDEDLP O=C1C=C2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2S1 ZINC001246693399 948407266 /nfs/dbraw/zinc/40/72/66/948407266.db2.gz JPNQHPQTLINBTL-ZGVCCVRISA-N 2 2 264.394 1.544 20 30 CDEDLP O=C1C=C2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2S1 ZINC001246693399 948407269 /nfs/dbraw/zinc/40/72/69/948407269.db2.gz JPNQHPQTLINBTL-ZGVCCVRISA-N 2 2 264.394 1.544 20 30 CDEDLP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1CC[NH2+]CC1)CCO2 ZINC001246763749 948427388 /nfs/dbraw/zinc/42/73/88/948427388.db2.gz CLZIBWKBHGTCGK-NVXWUHKLSA-N 2 2 294.439 1.812 20 30 CDEDLP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CC[NH2+]CC1)CCO2 ZINC001246763749 948427391 /nfs/dbraw/zinc/42/73/91/948427391.db2.gz CLZIBWKBHGTCGK-NVXWUHKLSA-N 2 2 294.439 1.812 20 30 CDEDLP CCCCCCCC[C@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001252132714 951156931 /nfs/dbraw/zinc/15/69/31/951156931.db2.gz BZNPHYVBFBGAJG-HNNXBMFYSA-N 2 2 298.475 1.870 20 30 CDEDLP N#CC1(c2ccccc2)CC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329024106 955633161 /nfs/dbraw/zinc/63/31/61/955633161.db2.gz POUDXVNSBHMRNN-PJPMVMIDSA-N 2 2 253.349 1.418 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425940337 957646940 /nfs/dbraw/zinc/64/69/40/957646940.db2.gz AGBVNAGBHXARCS-NWDGAFQWSA-N 2 2 296.802 1.579 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001318360087 958057550 /nfs/dbraw/zinc/05/75/50/958057550.db2.gz FDJFBUOGFDUPGN-OAHLLOKOSA-N 2 2 288.395 1.186 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001318360087 958057565 /nfs/dbraw/zinc/05/75/65/958057565.db2.gz FDJFBUOGFDUPGN-OAHLLOKOSA-N 2 2 288.395 1.186 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001419180119 961473701 /nfs/dbraw/zinc/47/37/01/961473701.db2.gz OIZDUHZPGCCMTQ-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001419180119 961473712 /nfs/dbraw/zinc/47/37/12/961473712.db2.gz OIZDUHZPGCCMTQ-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001419180119 961473721 /nfs/dbraw/zinc/47/37/21/961473721.db2.gz OIZDUHZPGCCMTQ-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001419180119 961473741 /nfs/dbraw/zinc/47/37/41/961473741.db2.gz OIZDUHZPGCCMTQ-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001437266340 962779628 /nfs/dbraw/zinc/77/96/28/962779628.db2.gz CWSVSMWDONMPTB-GFCCVEGCSA-N 2 2 284.791 1.510 20 30 CDEDLP C=CC[C@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OCC ZINC001352023362 967066860 /nfs/dbraw/zinc/06/68/60/967066860.db2.gz VAFDWHZKQZENJG-ZDUSSCGKSA-N 2 2 254.374 1.426 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001375510601 974407439 /nfs/dbraw/zinc/40/74/39/974407439.db2.gz ONHDLHKNKDPOPP-PHIMTYICSA-N 2 2 282.775 1.189 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402178263 976161432 /nfs/dbraw/zinc/16/14/32/976161432.db2.gz ZLYNRZNTWJFOLE-LBPRGKRZSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402178263 976161442 /nfs/dbraw/zinc/16/14/42/976161442.db2.gz ZLYNRZNTWJFOLE-LBPRGKRZSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001402176653 976163691 /nfs/dbraw/zinc/16/36/91/976163691.db2.gz KRIRAWPSDPAIOV-GFCCVEGCSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001402176653 976163702 /nfs/dbraw/zinc/16/37/02/976163702.db2.gz KRIRAWPSDPAIOV-GFCCVEGCSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001402176653 976163706 /nfs/dbraw/zinc/16/37/06/976163706.db2.gz KRIRAWPSDPAIOV-GFCCVEGCSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001402176653 976163713 /nfs/dbraw/zinc/16/37/13/976163713.db2.gz KRIRAWPSDPAIOV-GFCCVEGCSA-N 2 2 285.819 1.414 20 30 CDEDLP C#CC[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001574637225 1170997406 /nfs/dbraw/zinc/99/74/06/1170997406.db2.gz KEISAYSSWXJWPO-MRXNPFEDSA-N 2 2 294.345 1.685 20 30 CDEDLP C#CC[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001574637225 1170997411 /nfs/dbraw/zinc/99/74/11/1170997411.db2.gz KEISAYSSWXJWPO-MRXNPFEDSA-N 2 2 294.345 1.685 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1[NH2+]CCc2occc21 ZINC001574920847 1171049868 /nfs/dbraw/zinc/04/98/68/1171049868.db2.gz LVCSSOSVLRFPQQ-HNNXBMFYSA-N 2 2 291.395 1.433 20 30 CDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cn3)CC[C@@H]21 ZINC000565159312 365597819 /nfs/dbraw/zinc/59/78/19/365597819.db2.gz XQINBHYYUIZJHY-ZBFHGGJFSA-N 2 2 270.380 1.869 20 30 CDEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cn3)CC[C@@H]21 ZINC000565159312 365597826 /nfs/dbraw/zinc/59/78/26/365597826.db2.gz XQINBHYYUIZJHY-ZBFHGGJFSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cn3)CC[C@@H]21 ZINC000565159312 365597831 /nfs/dbraw/zinc/59/78/31/365597831.db2.gz XQINBHYYUIZJHY-ZBFHGGJFSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cn3)CC[C@@H]21 ZINC000565159312 365597836 /nfs/dbraw/zinc/59/78/36/365597836.db2.gz XQINBHYYUIZJHY-ZBFHGGJFSA-N 2 2 270.380 1.869 20 30 CDEDLP Cc1cc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(C#N)c[nH+]1 ZINC000591819769 342647303 /nfs/dbraw/zinc/64/73/03/342647303.db2.gz BUZQOCXFVWLMAW-CQSZACIVSA-N 2 2 256.353 1.580 20 30 CDEDLP Cc1[nH+]cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1C ZINC000596982813 343429712 /nfs/dbraw/zinc/42/97/12/343429712.db2.gz JWQJUDKPQQTHDV-UHFFFAOYSA-N 2 2 296.378 1.317 20 30 CDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602838141 344619979 /nfs/dbraw/zinc/61/99/79/344619979.db2.gz RJRCYDUMQCLJRL-AWEZNQCLSA-N 2 2 277.412 1.865 20 30 CDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602838141 344619981 /nfs/dbraw/zinc/61/99/81/344619981.db2.gz RJRCYDUMQCLJRL-AWEZNQCLSA-N 2 2 277.412 1.865 20 30 CDEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(CCC#N)CC1 ZINC000611175420 346631473 /nfs/dbraw/zinc/63/14/73/346631473.db2.gz XWMWAQZDKPIBCA-OAHLLOKOSA-N 2 2 264.417 1.392 20 30 CDEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(CCC#N)CC1 ZINC000611175420 346631476 /nfs/dbraw/zinc/63/14/76/346631476.db2.gz XWMWAQZDKPIBCA-OAHLLOKOSA-N 2 2 264.417 1.392 20 30 CDEDLP COCC#CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000677480454 482683364 /nfs/dbraw/zinc/68/33/64/482683364.db2.gz TVEIGLSCSJTKND-OAHLLOKOSA-N 2 2 250.386 1.444 20 30 CDEDLP COCC#CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000677480454 482683367 /nfs/dbraw/zinc/68/33/67/482683367.db2.gz TVEIGLSCSJTKND-OAHLLOKOSA-N 2 2 250.386 1.444 20 30 CDEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1C[C@H]1C ZINC000176386324 366333324 /nfs/dbraw/zinc/33/33/24/366333324.db2.gz YTJPLCDYTDDTMT-OCCSQVGLSA-N 2 2 298.394 1.731 20 30 CDEDLP C[N@@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H](C[NH3+])C1 ZINC000516917171 358577831 /nfs/dbraw/zinc/57/78/31/358577831.db2.gz HLLAQDLTBDJPBJ-VIFPVBQESA-N 2 2 299.300 1.051 20 30 CDEDLP C[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H](C[NH3+])C1 ZINC000516917171 358577834 /nfs/dbraw/zinc/57/78/34/358577834.db2.gz HLLAQDLTBDJPBJ-VIFPVBQESA-N 2 2 299.300 1.051 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000289375477 359545508 /nfs/dbraw/zinc/54/55/08/359545508.db2.gz OXSAACBDYLMTLF-INIZCTEOSA-N 2 2 285.391 1.592 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000289375477 359545512 /nfs/dbraw/zinc/54/55/12/359545512.db2.gz OXSAACBDYLMTLF-INIZCTEOSA-N 2 2 285.391 1.592 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337689063 360348562 /nfs/dbraw/zinc/34/85/62/360348562.db2.gz SJPBQCLPJJGCCE-UHFFFAOYSA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337689063 360348567 /nfs/dbraw/zinc/34/85/67/360348567.db2.gz SJPBQCLPJJGCCE-UHFFFAOYSA-N 2 2 294.443 1.553 20 30 CDEDLP C=CCN(C)CC[N@H+](CC)CCCn1cc[nH+]c1 ZINC000429716451 360870757 /nfs/dbraw/zinc/87/07/57/360870757.db2.gz FXVBXUZXAJIFQS-UHFFFAOYSA-N 2 2 250.390 1.713 20 30 CDEDLP C=CCN(C)CC[N@@H+](CC)CCCn1cc[nH+]c1 ZINC000429716451 360870758 /nfs/dbraw/zinc/87/07/58/360870758.db2.gz FXVBXUZXAJIFQS-UHFFFAOYSA-N 2 2 250.390 1.713 20 30 CDEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@H](O)C[N@@H+](C)CC ZINC000562478910 361500581 /nfs/dbraw/zinc/50/05/81/361500581.db2.gz QFAMSURGEWZZBX-QGZVFWFLSA-N 2 2 287.407 1.859 20 30 CDEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@H](O)C[N@H+](C)CC ZINC000562478910 361500587 /nfs/dbraw/zinc/50/05/87/361500587.db2.gz QFAMSURGEWZZBX-QGZVFWFLSA-N 2 2 287.407 1.859 20 30 CDEDLP C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH+](C)CC ZINC000562478910 361500592 /nfs/dbraw/zinc/50/05/92/361500592.db2.gz QFAMSURGEWZZBX-QGZVFWFLSA-N 2 2 287.407 1.859 20 30 CDEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH+](C)CC ZINC000562478910 361500595 /nfs/dbraw/zinc/50/05/95/361500595.db2.gz QFAMSURGEWZZBX-QGZVFWFLSA-N 2 2 287.407 1.859 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000570890726 364085906 /nfs/dbraw/zinc/08/59/06/364085906.db2.gz AQECDOWIQBBSBZ-GOEBONIOSA-N 2 2 282.428 1.499 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000570890726 364085913 /nfs/dbraw/zinc/08/59/13/364085913.db2.gz AQECDOWIQBBSBZ-GOEBONIOSA-N 2 2 282.428 1.499 20 30 CDEDLP N#CC1(C[C@H](O)C[N@@H+](CC[NH3+])Cc2ccccc2)CCC1 ZINC001580038637 1172330018 /nfs/dbraw/zinc/33/00/18/1172330018.db2.gz PMGAUEAKLHOCOJ-INIZCTEOSA-N 2 2 287.407 1.892 20 30 CDEDLP N#CC1(C[C@H](O)C[N@H+](CC[NH3+])Cc2ccccc2)CCC1 ZINC001580038637 1172330024 /nfs/dbraw/zinc/33/00/24/1172330024.db2.gz PMGAUEAKLHOCOJ-INIZCTEOSA-N 2 2 287.407 1.892 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000358300513 367584234 /nfs/dbraw/zinc/58/42/34/367584234.db2.gz OZGWXEXNROOGMI-OAHLLOKOSA-N 2 2 294.443 1.065 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276584417 193390331 /nfs/dbraw/zinc/39/03/31/193390331.db2.gz CGKLJFBPBHFWSC-IAQYHMDHSA-N 2 2 258.369 1.469 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276584417 193390332 /nfs/dbraw/zinc/39/03/32/193390332.db2.gz CGKLJFBPBHFWSC-IAQYHMDHSA-N 2 2 258.369 1.469 20 30 CDEDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000358197965 373948613 /nfs/dbraw/zinc/94/86/13/373948613.db2.gz YGQDRUOGNZKVHW-CZUORRHYSA-N 2 2 273.380 1.867 20 30 CDEDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000358197965 373948619 /nfs/dbraw/zinc/94/86/19/373948619.db2.gz YGQDRUOGNZKVHW-CZUORRHYSA-N 2 2 273.380 1.867 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000247686447 377165069 /nfs/dbraw/zinc/16/50/69/377165069.db2.gz VATGQBBTCZACAO-ZIAGYGMSSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000247686447 377165078 /nfs/dbraw/zinc/16/50/78/377165078.db2.gz VATGQBBTCZACAO-ZIAGYGMSSA-N 2 2 267.417 1.341 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000152989412 390819154 /nfs/dbraw/zinc/81/91/54/390819154.db2.gz BAGDATFJORLFKH-HOCLYGCPSA-N 3 2 265.445 1.957 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000152989412 390819159 /nfs/dbraw/zinc/81/91/59/390819159.db2.gz BAGDATFJORLFKH-HOCLYGCPSA-N 3 2 265.445 1.957 20 30 CDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1ccco1 ZINC000262071060 390999469 /nfs/dbraw/zinc/99/94/69/390999469.db2.gz CHXUVOLYGFQQBY-UHFFFAOYSA-N 2 2 287.367 1.678 20 30 CDEDLP C#CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285934147 391719248 /nfs/dbraw/zinc/71/92/48/391719248.db2.gz LWHJUDBVRPGNGO-GOSISDBHSA-N 2 2 283.419 1.512 20 30 CDEDLP C#CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285934147 391719250 /nfs/dbraw/zinc/71/92/50/391719250.db2.gz LWHJUDBVRPGNGO-GOSISDBHSA-N 2 2 283.419 1.512 20 30 CDEDLP C[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261955892 391740801 /nfs/dbraw/zinc/74/08/01/391740801.db2.gz ITMPQBKRMPXWTO-ZQDZILKHSA-N 2 2 289.427 1.997 20 30 CDEDLP Cc1[nH+]ccn1-c1ncccc1CNC1=[NH+]C[C@H](C)N1 ZINC000262687813 391812639 /nfs/dbraw/zinc/81/26/39/391812639.db2.gz ZDDFCAKZFCMGGA-JTQLQIEISA-N 2 2 270.340 1.013 20 30 CDEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000657878473 413068128 /nfs/dbraw/zinc/06/81/28/413068128.db2.gz NKISJOGHCLQBJT-OWCLPIDISA-N 2 2 265.445 1.957 20 30 CDEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000657878473 413068131 /nfs/dbraw/zinc/06/81/31/413068131.db2.gz NKISJOGHCLQBJT-OWCLPIDISA-N 2 2 265.445 1.957 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1C#N ZINC000261679323 140374440 /nfs/dbraw/zinc/37/44/40/140374440.db2.gz GPJLSZKZHWLTLN-INIZCTEOSA-N 2 2 271.364 1.752 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1C#N ZINC000261679323 140374441 /nfs/dbraw/zinc/37/44/41/140374441.db2.gz GPJLSZKZHWLTLN-INIZCTEOSA-N 2 2 271.364 1.752 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000040490872 174291648 /nfs/dbraw/zinc/29/16/48/174291648.db2.gz HCDMYXYDIUZQIO-INIZCTEOSA-N 2 2 285.391 1.031 20 30 CDEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1C[C@@H]1C ZINC000176386279 327784369 /nfs/dbraw/zinc/78/43/69/327784369.db2.gz YTJPLCDYTDDTMT-GXTWGEPZSA-N 2 2 298.394 1.731 20 30 CDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCC[C@H](C)C1 ZINC000262816517 330033845 /nfs/dbraw/zinc/03/38/45/330033845.db2.gz WYMRCYZCTXDIBF-AWEZNQCLSA-N 2 2 298.500 1.733 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422979620 330162525 /nfs/dbraw/zinc/16/25/25/330162525.db2.gz NFTJTQNCMRPWHQ-ZFWWWQNUSA-N 3 2 251.418 1.744 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000422974563 330164591 /nfs/dbraw/zinc/16/45/91/330164591.db2.gz FIIJYHADWLGLIZ-ZBFHGGJFSA-N 3 2 281.444 1.384 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000490950156 332132452 /nfs/dbraw/zinc/13/24/52/332132452.db2.gz OWSNVHVSVMYTQB-MRXNPFEDSA-N 2 2 289.423 1.052 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000490950156 332132453 /nfs/dbraw/zinc/13/24/53/332132453.db2.gz OWSNVHVSVMYTQB-MRXNPFEDSA-N 2 2 289.423 1.052 20 30 CDEDLP C=CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665943329 482854145 /nfs/dbraw/zinc/85/41/45/482854145.db2.gz RILMUUDSPBTTTP-OAHLLOKOSA-N 2 2 294.443 1.372 20 30 CDEDLP C=CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665943329 482854147 /nfs/dbraw/zinc/85/41/47/482854147.db2.gz RILMUUDSPBTTTP-OAHLLOKOSA-N 2 2 294.443 1.372 20 30 CDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001755898210 1160641794 /nfs/dbraw/zinc/64/17/94/1160641794.db2.gz CYRAULGGBLJJLS-UHFFFAOYSA-N 2 2 299.846 1.829 20 30 CDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001755898210 1160641798 /nfs/dbraw/zinc/64/17/98/1160641798.db2.gz CYRAULGGBLJJLS-UHFFFAOYSA-N 2 2 299.846 1.829 20 30 CDEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)C[NH+](C)CCC)CC1 ZINC001755898210 1160641801 /nfs/dbraw/zinc/64/18/01/1160641801.db2.gz CYRAULGGBLJJLS-UHFFFAOYSA-N 2 2 299.846 1.829 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C[NH+](C)CCC)CC1 ZINC001755898210 1160641807 /nfs/dbraw/zinc/64/18/07/1160641807.db2.gz CYRAULGGBLJJLS-UHFFFAOYSA-N 2 2 299.846 1.829 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944157379 613535551 /nfs/dbraw/zinc/53/55/51/613535551.db2.gz ZYPGJPPDFRNFBM-ZFWWWQNUSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944157379 613535553 /nfs/dbraw/zinc/53/55/53/613535553.db2.gz ZYPGJPPDFRNFBM-ZFWWWQNUSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC000961053712 613566855 /nfs/dbraw/zinc/56/68/55/613566855.db2.gz AJQQWLGCOUYGTR-VIKVFOODSA-N 2 2 296.374 1.570 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC000961053712 613566858 /nfs/dbraw/zinc/56/68/58/613566858.db2.gz AJQQWLGCOUYGTR-VIKVFOODSA-N 2 2 296.374 1.570 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981555889 613698455 /nfs/dbraw/zinc/69/84/55/613698455.db2.gz CCHNCIZEBVLSRH-UHFFFAOYSA-N 2 2 284.363 1.668 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981555889 613698457 /nfs/dbraw/zinc/69/84/57/613698457.db2.gz CCHNCIZEBVLSRH-UHFFFAOYSA-N 2 2 284.363 1.668 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000948850052 613707706 /nfs/dbraw/zinc/70/77/06/613707706.db2.gz DQOWRONVXVEHES-AWEZNQCLSA-N 2 2 265.401 1.191 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948850052 613707710 /nfs/dbraw/zinc/70/77/10/613707710.db2.gz DQOWRONVXVEHES-AWEZNQCLSA-N 2 2 265.401 1.191 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947976058 613743451 /nfs/dbraw/zinc/74/34/51/613743451.db2.gz SLOLLYDCBFFVPO-WCQYABFASA-N 2 2 276.384 1.416 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947976058 613743452 /nfs/dbraw/zinc/74/34/52/613743452.db2.gz SLOLLYDCBFFVPO-WCQYABFASA-N 2 2 276.384 1.416 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900474409 623150419 /nfs/dbraw/zinc/15/04/19/623150419.db2.gz QIHBYRZBSDKJEG-HZPDHXFCSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900474409 623150430 /nfs/dbraw/zinc/15/04/30/623150430.db2.gz QIHBYRZBSDKJEG-HZPDHXFCSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900474408 623150977 /nfs/dbraw/zinc/15/09/77/623150977.db2.gz QIHBYRZBSDKJEG-HOTGVXAUSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900474408 623150985 /nfs/dbraw/zinc/15/09/85/623150985.db2.gz QIHBYRZBSDKJEG-HOTGVXAUSA-N 2 2 289.423 1.171 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130001220 1162516684 /nfs/dbraw/zinc/51/66/84/1162516684.db2.gz HSAKVQAFWJAQGS-ZDUSSCGKSA-N 2 2 298.818 1.929 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130165197 1162560879 /nfs/dbraw/zinc/56/08/79/1162560879.db2.gz RQZCFZWNFIGWPW-ZDUSSCGKSA-N 2 2 292.427 1.987 20 30 CDEDLP C=CC[NH2+][C@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001753011042 1184994576 /nfs/dbraw/zinc/99/45/76/1184994576.db2.gz KOUFMFAGNBDAKD-GFCCVEGCSA-N 2 2 272.352 1.618 20 30 CDEDLP C=C(C)C[N@@H+](C)CCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001753857346 1185366485 /nfs/dbraw/zinc/36/64/85/1185366485.db2.gz MOLVAZYBLOGHMR-UHFFFAOYSA-N 2 2 294.399 1.316 20 30 CDEDLP C=C(C)C[N@H+](C)CCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001753857346 1185366492 /nfs/dbraw/zinc/36/64/92/1185366492.db2.gz MOLVAZYBLOGHMR-UHFFFAOYSA-N 2 2 294.399 1.316 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049751624 828823694 /nfs/dbraw/zinc/82/36/94/828823694.db2.gz YPRCUXCEFACNGF-LSDHHAIUSA-N 2 2 286.379 1.041 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049751624 828823695 /nfs/dbraw/zinc/82/36/95/828823695.db2.gz YPRCUXCEFACNGF-LSDHHAIUSA-N 2 2 286.379 1.041 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027598413 828820896 /nfs/dbraw/zinc/82/08/96/828820896.db2.gz WMXSNDOKXQNXSO-CYBMUJFWSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027598413 828820897 /nfs/dbraw/zinc/82/08/97/828820897.db2.gz WMXSNDOKXQNXSO-CYBMUJFWSA-N 2 2 262.357 1.061 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001015000054 832107084 /nfs/dbraw/zinc/10/70/84/832107084.db2.gz NTVNERLRDHYYNL-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001015000054 832107087 /nfs/dbraw/zinc/10/70/87/832107087.db2.gz NTVNERLRDHYYNL-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002445602 832292389 /nfs/dbraw/zinc/29/23/89/832292389.db2.gz UKQIQSPOHWOHAG-CYBMUJFWSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002445602 832292398 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C=C(C)CC[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989562676 828880592 /nfs/dbraw/zinc/88/05/92/828880592.db2.gz JTMNOZADDOFLNR-UHFFFAOYSA-N 2 2 290.411 1.761 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001054721892 828885283 /nfs/dbraw/zinc/88/52/83/828885283.db2.gz OSBAPHWAHLBMBD-GXTWGEPZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001054721892 828885288 /nfs/dbraw/zinc/88/52/88/828885288.db2.gz OSBAPHWAHLBMBD-GXTWGEPZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C[C@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850409949 828886248 /nfs/dbraw/zinc/88/62/48/828886248.db2.gz DOSNLYGRKBDMMD-CQSZACIVSA-N 2 2 289.423 1.858 20 30 CDEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1(C)C ZINC000996398805 828887756 /nfs/dbraw/zinc/88/77/56/828887756.db2.gz KUQXRYNKIDTIAA-JSGCOSHPSA-N 2 2 288.395 1.048 20 30 CDEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996398805 828887757 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C=CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016995963 829021976 /nfs/dbraw/zinc/02/19/76/829021976.db2.gz WWPWHATWVIBAIY-CYBMUJFWSA-N 2 2 274.368 1.040 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420349 833386563 /nfs/dbraw/zinc/38/65/63/833386563.db2.gz ODCNYRQNRJLMLL-TZMCWYRMSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420349 833386565 /nfs/dbraw/zinc/38/65/65/833386565.db2.gz ODCNYRQNRJLMLL-TZMCWYRMSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420349 833386566 /nfs/dbraw/zinc/38/65/66/833386566.db2.gz ODCNYRQNRJLMLL-TZMCWYRMSA-N 2 2 299.846 1.613 20 30 CDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033206450 833395587 /nfs/dbraw/zinc/39/55/87/833395587.db2.gz JPPUSCSTCOESPH-KGLIPLIRSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033206450 833395588 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COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1C#N ZINC000817914883 829906608 /nfs/dbraw/zinc/90/66/08/829906608.db2.gz BLCSAUHLSYAFKD-BXUZGUMPSA-N 2 2 259.353 1.797 20 30 CDEDLP N#Cc1csc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000093492631 829988043 /nfs/dbraw/zinc/98/80/43/829988043.db2.gz CGNQQRSSBYAGTJ-OLZOCXBDSA-N 2 2 277.393 1.573 20 30 CDEDLP N#Cc1csc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000093492631 829988058 /nfs/dbraw/zinc/98/80/58/829988058.db2.gz CGNQQRSSBYAGTJ-OLZOCXBDSA-N 2 2 277.393 1.573 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052899521 830114990 /nfs/dbraw/zinc/11/49/90/830114990.db2.gz UWNMDGGDTSVHJI-CQSZACIVSA-N 2 2 290.411 1.807 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052899521 830115003 /nfs/dbraw/zinc/11/50/03/830115003.db2.gz UWNMDGGDTSVHJI-CQSZACIVSA-N 2 2 290.411 1.807 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420347 830308763 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CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000328244789 832856152 /nfs/dbraw/zinc/85/61/52/832856152.db2.gz HWRNSWFQXNNTPJ-UHFFFAOYSA-N 2 2 287.363 1.062 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000328244789 832856154 /nfs/dbraw/zinc/85/61/54/832856154.db2.gz HWRNSWFQXNNTPJ-UHFFFAOYSA-N 2 2 287.363 1.062 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992859289 832896474 /nfs/dbraw/zinc/89/64/74/832896474.db2.gz MXGGOENFOLWQNX-BFHYXJOUSA-N 2 2 288.395 1.355 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209866944 1167358167 /nfs/dbraw/zinc/35/81/67/1167358167.db2.gz WPJPYYHAXRDLMO-LSDHHAIUSA-N 2 2 288.395 1.438 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC=C(C)C ZINC001038365406 834077588 /nfs/dbraw/zinc/07/75/88/834077588.db2.gz CBCADTHNWZNWBC-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC=C(C)C ZINC001038365406 834077604 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CC[N@@H+](CC[NH+]=C(N(C)C)N(C)C)CCC(F)(F)F ZINC000849022377 834566605 /nfs/dbraw/zinc/56/66/05/834566605.db2.gz UOOCVIJOKQNFIP-UHFFFAOYSA-N 2 2 282.354 1.740 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015690696 834816798 /nfs/dbraw/zinc/81/67/98/834816798.db2.gz PLZMTQANKMRMRK-CHWSQXEVSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015690696 834816802 /nfs/dbraw/zinc/81/68/02/834816802.db2.gz PLZMTQANKMRMRK-CHWSQXEVSA-N 2 2 288.395 1.596 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046388700 834872024 /nfs/dbraw/zinc/87/20/24/834872024.db2.gz UVTINVTXRMJGON-XJKCOSOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046388700 834872025 /nfs/dbraw/zinc/87/20/25/834872025.db2.gz UVTINVTXRMJGON-XJKCOSOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001046388700 834872027 /nfs/dbraw/zinc/87/20/27/834872027.db2.gz UVTINVTXRMJGON-XJKCOSOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001046388700 834872030 /nfs/dbraw/zinc/87/20/30/834872030.db2.gz UVTINVTXRMJGON-XJKCOSOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001074718228 835450322 /nfs/dbraw/zinc/45/03/22/835450322.db2.gz CLMHYWBRQWZSFA-IHRRRGAJSA-N 2 2 288.395 1.211 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044187270 835627859 /nfs/dbraw/zinc/62/78/59/835627859.db2.gz ZVQBYTMEYVXUBF-CYBMUJFWSA-N 2 2 265.401 1.047 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044187270 835627864 /nfs/dbraw/zinc/62/78/64/835627864.db2.gz ZVQBYTMEYVXUBF-CYBMUJFWSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001095045750 912297370 /nfs/dbraw/zinc/29/73/70/912297370.db2.gz MFNUESZGMGWNQP-MJBXVCDLSA-N 2 2 288.395 1.416 20 30 CDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175880674 913821698 /nfs/dbraw/zinc/82/16/98/913821698.db2.gz CLUMGFJQHPDIIE-CYBMUJFWSA-N 2 2 276.384 1.240 20 30 CDEDLP C=CCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168493134 914088155 /nfs/dbraw/zinc/08/81/55/914088155.db2.gz NQXVQILYHVQTGF-UHFFFAOYSA-N 2 2 276.384 1.335 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(=C)C ZINC001038366685 899741738 /nfs/dbraw/zinc/74/17/38/899741738.db2.gz IMQPNAXLNZLPHA-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(=C)C ZINC001038366685 899741745 /nfs/dbraw/zinc/74/17/45/899741745.db2.gz IMQPNAXLNZLPHA-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(=C)C ZINC001038366685 899741753 /nfs/dbraw/zinc/74/17/53/899741753.db2.gz IMQPNAXLNZLPHA-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(=C)C ZINC001038366685 899741760 /nfs/dbraw/zinc/74/17/60/899741760.db2.gz IMQPNAXLNZLPHA-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101386 899890696 /nfs/dbraw/zinc/89/06/96/899890696.db2.gz JFGSBJQLDITRHZ-ZIAGYGMSSA-N 2 2 276.384 1.143 20 30 CDEDLP C=CCN(CC[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+])C(=O)OCC ZINC001236213214 914774182 /nfs/dbraw/zinc/77/41/82/914774182.db2.gz NWEWPXBYGIDKFL-ZIAGYGMSSA-N 2 2 283.416 1.833 20 30 CDEDLP C=CCN(CC[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+])C(=O)OCC ZINC001236213214 914774193 /nfs/dbraw/zinc/77/41/93/914774193.db2.gz NWEWPXBYGIDKFL-ZIAGYGMSSA-N 2 2 283.416 1.833 20 30 CDEDLP CC#CC[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168364014 909585013 /nfs/dbraw/zinc/58/50/13/909585013.db2.gz ZYXXVHVVPOHXKR-UHFFFAOYSA-N 2 2 298.390 1.304 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633229 909933834 /nfs/dbraw/zinc/93/38/34/909933834.db2.gz DMFPXBIRPSBBAQ-LSDHHAIUSA-N 2 2 288.395 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915979081 /nfs/dbraw/zinc/97/90/81/915979081.db2.gz PGZSSZSRZCWQTH-RDBSUJKOSA-N 2 2 290.411 1.886 20 30 CDEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182741933 918116129 /nfs/dbraw/zinc/11/61/29/918116129.db2.gz YAEPWEFZZKRLQJ-CZUORRHYSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115176 918307191 /nfs/dbraw/zinc/30/71/91/918307191.db2.gz DVNZKPCEOWQEPB-DZGCQCFKSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183115176 918307207 /nfs/dbraw/zinc/30/72/07/918307207.db2.gz DVNZKPCEOWQEPB-DZGCQCFKSA-N 2 2 290.411 1.888 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001185967884 919833826 /nfs/dbraw/zinc/83/38/26/919833826.db2.gz CTRTXYXRIVCKRY-ZIAGYGMSSA-N 2 2 274.368 1.048 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187091138 920362351 /nfs/dbraw/zinc/36/23/51/920362351.db2.gz GIRUNJBKJYKZIA-CYBMUJFWSA-N 2 2 290.411 1.844 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc3ncccc3cc2C#N)CC1 ZINC001168736905 921889118 /nfs/dbraw/zinc/88/91/18/921889118.db2.gz RQGNTSGGLBSXPS-UHFFFAOYSA-N 2 2 295.350 1.096 20 30 CDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193468476 923704833 /nfs/dbraw/zinc/70/48/33/923704833.db2.gz DTRCOWXJCINIJK-CYBMUJFWSA-N 2 2 288.395 1.243 20 30 CDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193468476 923704843 /nfs/dbraw/zinc/70/48/43/923704843.db2.gz DTRCOWXJCINIJK-CYBMUJFWSA-N 2 2 288.395 1.243 20 30 CDEDLP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449602 924220224 /nfs/dbraw/zinc/22/02/24/924220224.db2.gz VOOYYXKMXIJCTQ-CABCVRRESA-N 2 2 290.411 1.771 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449602 924220236 /nfs/dbraw/zinc/22/02/36/924220236.db2.gz VOOYYXKMXIJCTQ-CABCVRRESA-N 2 2 290.411 1.771 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001079947984 924452747 /nfs/dbraw/zinc/45/27/47/924452747.db2.gz SPMRSHOWXIKHMG-TZMCWYRMSA-N 2 2 290.411 1.549 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001079947984 924452758 /nfs/dbraw/zinc/45/27/58/924452758.db2.gz SPMRSHOWXIKHMG-TZMCWYRMSA-N 2 2 290.411 1.549 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080946687 924664277 /nfs/dbraw/zinc/66/42/77/924664277.db2.gz KWKROQDTHXNJJL-ZWNOBZJWSA-N 2 2 296.802 1.381 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080946687 924664286 /nfs/dbraw/zinc/66/42/86/924664286.db2.gz KWKROQDTHXNJJL-ZWNOBZJWSA-N 2 2 296.802 1.381 20 30 CDEDLP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203814609 924697298 /nfs/dbraw/zinc/69/72/98/924697298.db2.gz LJBWJIJQCONZON-ZIAGYGMSSA-N 2 2 288.395 1.476 20 30 CDEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269865 925106903 /nfs/dbraw/zinc/10/69/03/925106903.db2.gz UEEQVYVQFULBTJ-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269865 925106909 /nfs/dbraw/zinc/10/69/09/925106909.db2.gz UEEQVYVQFULBTJ-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C1CC[NH+](C)CC1 ZINC001273828101 926051617 /nfs/dbraw/zinc/05/16/17/926051617.db2.gz YMOOLMJCQLNJHL-KRWDZBQOSA-N 2 2 291.439 1.724 20 30 CDEDLP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C1CC[NH+](C)CC1 ZINC001273828101 926051627 /nfs/dbraw/zinc/05/16/27/926051627.db2.gz YMOOLMJCQLNJHL-KRWDZBQOSA-N 2 2 291.439 1.724 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103473542 937143660 /nfs/dbraw/zinc/14/36/60/937143660.db2.gz FJKRSOKGWWSODD-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103473542 937143662 /nfs/dbraw/zinc/14/36/62/937143662.db2.gz FJKRSOKGWWSODD-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545300 929780415 /nfs/dbraw/zinc/78/04/15/929780415.db2.gz NKFIUAPFTOROEP-NWDGAFQWSA-N 2 2 298.818 1.968 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545300 929780419 /nfs/dbraw/zinc/78/04/19/929780419.db2.gz NKFIUAPFTOROEP-NWDGAFQWSA-N 2 2 298.818 1.968 20 30 CDEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134548914 929783173 /nfs/dbraw/zinc/78/31/73/929783173.db2.gz KMIQLEYLWVPKTM-CHWSQXEVSA-N 2 2 278.400 1.791 20 30 CDEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134548914 929783181 /nfs/dbraw/zinc/78/31/81/929783181.db2.gz KMIQLEYLWVPKTM-CHWSQXEVSA-N 2 2 278.400 1.791 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134743761 929879465 /nfs/dbraw/zinc/87/94/65/929879465.db2.gz CIYXHWNISAKGCW-STQMWFEESA-N 2 2 291.395 1.692 20 30 CDEDLP CC(C)(C)C#CCNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001160393506 931522768 /nfs/dbraw/zinc/52/27/68/931522768.db2.gz KWAVWGXVCBNFOO-UHFFFAOYSA-N 2 2 272.396 1.953 20 30 CDEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707063 932286166 /nfs/dbraw/zinc/28/61/66/932286166.db2.gz NPDVCXLQNTZCKW-UONOGXRCSA-N 2 2 276.384 1.169 20 30 CDEDLP CC[NH+](CC)CCC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001258910393 935717483 /nfs/dbraw/zinc/71/74/83/935717483.db2.gz QYMOUSDHKKVQEO-UONOGXRCSA-N 2 2 252.406 1.294 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677482 938405033 /nfs/dbraw/zinc/40/50/33/938405033.db2.gz VUFPDGTVHREGCX-CQSZACIVSA-N 2 2 292.427 1.755 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677482 938405034 /nfs/dbraw/zinc/40/50/34/938405034.db2.gz VUFPDGTVHREGCX-CQSZACIVSA-N 2 2 292.427 1.755 20 30 CDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248152 938469350 /nfs/dbraw/zinc/46/93/50/938469350.db2.gz JSZXEEATFHHJGQ-CQSZACIVSA-N 2 2 276.384 1.123 20 30 CDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248152 938469352 /nfs/dbraw/zinc/46/93/52/938469352.db2.gz JSZXEEATFHHJGQ-CQSZACIVSA-N 2 2 276.384 1.123 20 30 CDEDLP N#CCc1cc[nH+]c(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1 ZINC001165432590 939564246 /nfs/dbraw/zinc/56/42/46/939564246.db2.gz KGDKOVYZHDDBFS-QWHCGFSZSA-N 2 2 274.343 1.661 20 30 CDEDLP C#CCCC[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001209270249 940455614 /nfs/dbraw/zinc/45/56/14/940455614.db2.gz XJGVNGBGBYJQSA-UHFFFAOYSA-N 2 2 299.422 1.612 20 30 CDEDLP CC(C)(S)CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220487668 941450187 /nfs/dbraw/zinc/45/01/87/941450187.db2.gz YCOPDYRGKDKITD-LLVKDONJSA-N 2 2 267.398 1.083 20 30 CDEDLP C=C(C)C[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225168183 941827174 /nfs/dbraw/zinc/82/71/74/941827174.db2.gz PEWFTOOWOCEPQU-UHFFFAOYSA-N 2 2 290.411 1.367 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225659051 941895223 /nfs/dbraw/zinc/89/52/23/941895223.db2.gz XIQFYFPEVMINND-UHFFFAOYSA-N 2 2 296.802 1.464 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230352610 942610988 /nfs/dbraw/zinc/61/09/88/942610988.db2.gz IBAUMQWSPAXNPZ-HUUCEWRRSA-N 2 2 290.411 1.866 20 30 CDEDLP N#Cc1ccc(F)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235992594 944360141 /nfs/dbraw/zinc/36/01/41/944360141.db2.gz DZCHFWIVFQOCGK-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235992594 944360154 /nfs/dbraw/zinc/36/01/54/944360154.db2.gz DZCHFWIVFQOCGK-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[NH2+]1 ZINC001246329513 948108739 /nfs/dbraw/zinc/10/87/39/948108739.db2.gz PTGRBYFHMBGOSK-TZMCWYRMSA-N 2 2 259.353 1.667 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246772111 948432606 /nfs/dbraw/zinc/43/26/06/948432606.db2.gz YHVDCWLAOAMMHU-VVLHAWIVSA-N 2 2 294.439 1.953 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246772111 948432609 /nfs/dbraw/zinc/43/26/09/948432609.db2.gz YHVDCWLAOAMMHU-VVLHAWIVSA-N 2 2 294.439 1.953 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001252596380 951490294 /nfs/dbraw/zinc/49/02/94/951490294.db2.gz PZQWKQAGFXPPDK-HNNXBMFYSA-N 2 2 264.413 1.731 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001252596380 951490305 /nfs/dbraw/zinc/49/03/05/951490305.db2.gz PZQWKQAGFXPPDK-HNNXBMFYSA-N 2 2 264.413 1.731 20 30 CDEDLP C=C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001253610098 951996814 /nfs/dbraw/zinc/99/68/14/951996814.db2.gz AJYNIWSPQSVKIA-YESZJQIVSA-N 2 2 290.407 1.412 20 30 CDEDLP C=C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001253610098 951996819 /nfs/dbraw/zinc/99/68/19/951996819.db2.gz AJYNIWSPQSVKIA-YESZJQIVSA-N 2 2 290.407 1.412 20 30 CDEDLP CO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001317894494 957808163 /nfs/dbraw/zinc/80/81/63/957808163.db2.gz WQQUWILCTOROKL-UHFFFAOYSA-N 2 2 251.305 1.558 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001404712737 975465419 /nfs/dbraw/zinc/46/54/19/975465419.db2.gz LTBFZRBJBHXWQN-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001404712737 975465423 /nfs/dbraw/zinc/46/54/23/975465423.db2.gz LTBFZRBJBHXWQN-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135061 1163579842 /nfs/dbraw/zinc/57/98/42/1163579842.db2.gz KZLUXGGQGUTGKC-KBPBESRZSA-N 2 2 290.411 1.603 20 30 CDEDLP Cc1[nH+]cc(C[NH2+]CCc2ccc(C#N)cc2)n1C ZINC000594955263 342983066 /nfs/dbraw/zinc/98/30/66/342983066.db2.gz MGTIOEHDWJAQFL-UHFFFAOYSA-N 2 2 254.337 1.933 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc(C#N)cc1 ZINC000596653294 343371788 /nfs/dbraw/zinc/37/17/88/343371788.db2.gz ZTZPVTGUKBZVMR-CZUORRHYSA-N 2 2 273.380 1.457 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@@H](CO)C3)CC2)cc1 ZINC000601140067 349911506 /nfs/dbraw/zinc/91/15/06/349911506.db2.gz QOKMWCIAWXPGDZ-MAEOIBBWSA-N 2 2 299.418 1.883 20 30 CDEDLP CC(C)(O)C[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000602693160 344541575 /nfs/dbraw/zinc/54/15/75/344541575.db2.gz BQOCELRIBDJSRX-UHFFFAOYSA-N 2 2 265.401 1.505 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+](C)C)CC1 ZINC000602694755 344542086 /nfs/dbraw/zinc/54/20/86/344542086.db2.gz JAMHTNMFYDZVTD-ZDUSSCGKSA-N 2 2 265.401 1.769 20 30 CDEDLP CCNC(NC[C@H](c1ccccc1)[NH+](C)C)=[NH+]CC ZINC000066242508 348977853 /nfs/dbraw/zinc/97/78/53/348977853.db2.gz MMFCKGBXHOJKMS-CQSZACIVSA-N 2 2 262.401 1.864 20 30 CDEDLP CC[NH+](CC)[C@@H](CNC(NC1CC1)=[NH+]C)c1ccco1 ZINC000264079439 362960490 /nfs/dbraw/zinc/96/04/90/362960490.db2.gz UBVQRCCZDFAQDC-ZDUSSCGKSA-N 2 2 278.400 1.990 20 30 CDEDLP C[C@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271864731 191374908 /nfs/dbraw/zinc/37/49/08/191374908.db2.gz LDWMHHPMFMZENF-AWEZNQCLSA-N 2 2 287.407 1.741 20 30 CDEDLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)cc(C#N)n1 ZINC000342815111 356277864 /nfs/dbraw/zinc/27/78/64/356277864.db2.gz BXNVIOJHMGJFDV-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000058064561 357376237 /nfs/dbraw/zinc/37/62/37/357376237.db2.gz MLWUUSFOGFVMID-ZDUSSCGKSA-N 2 2 276.384 1.897 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC000337176568 360010167 /nfs/dbraw/zinc/01/01/67/360010167.db2.gz JLJUIPYDGMKTDV-GJZGRUSLSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC000337176568 360010170 /nfs/dbraw/zinc/01/01/70/360010170.db2.gz JLJUIPYDGMKTDV-GJZGRUSLSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1=O ZINC000337187596 360031100 /nfs/dbraw/zinc/03/11/00/360031100.db2.gz PUIIZERDMBYLKG-HZPDHXFCSA-N 2 2 291.439 1.437 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1=O ZINC000337187596 360031105 /nfs/dbraw/zinc/03/11/05/360031105.db2.gz PUIIZERDMBYLKG-HZPDHXFCSA-N 2 2 291.439 1.437 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000337187596 360031109 /nfs/dbraw/zinc/03/11/09/360031109.db2.gz PUIIZERDMBYLKG-HZPDHXFCSA-N 2 2 291.439 1.437 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000337187596 360031110 /nfs/dbraw/zinc/03/11/10/360031110.db2.gz PUIIZERDMBYLKG-HZPDHXFCSA-N 2 2 291.439 1.437 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000429698015 360868792 /nfs/dbraw/zinc/86/87/92/360868792.db2.gz LRGGPFHUPBNFNN-OLZOCXBDSA-N 2 2 259.357 1.234 20 30 CDEDLP C=CC[N@H+](Cc1ccccc1F)C[C@](C)(O)C[NH2+]C ZINC000566351473 370691818 /nfs/dbraw/zinc/69/18/18/370691818.db2.gz KPFVGGCNSVSHBE-OAHLLOKOSA-N 2 2 266.360 1.784 20 30 CDEDLP C=CC[N@@H+](Cc1ccccc1F)C[C@](C)(O)C[NH2+]C ZINC000566351473 370691823 /nfs/dbraw/zinc/69/18/23/370691823.db2.gz KPFVGGCNSVSHBE-OAHLLOKOSA-N 2 2 266.360 1.784 20 30 CDEDLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C[NH+]1CCOCC1 ZINC000192884518 364054525 /nfs/dbraw/zinc/05/45/25/364054525.db2.gz JZLAHOIOWDKYPE-QLFBSQMISA-N 2 2 265.401 1.627 20 30 CDEDLP CC(C)[NH2+]C1(CO)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000566424563 370716112 /nfs/dbraw/zinc/71/61/12/370716112.db2.gz NNRLARVFLQURNG-UHFFFAOYSA-N 2 2 267.417 1.751 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000361229229 368700867 /nfs/dbraw/zinc/70/08/67/368700867.db2.gz MAIAYIZZIWLVDD-ZFWWWQNUSA-N 3 2 251.418 1.567 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000361229229 368700871 /nfs/dbraw/zinc/70/08/71/368700871.db2.gz MAIAYIZZIWLVDD-ZFWWWQNUSA-N 3 2 251.418 1.567 20 30 CDEDLP C[C@@H]1C[N@H+](CCCCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362704692 369112167 /nfs/dbraw/zinc/11/21/67/369112167.db2.gz VEZWIJGXUFBSSW-HZPDHXFCSA-N 2 2 278.444 1.638 20 30 CDEDLP C[C@@H]1C[N@@H+](CCCCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362704692 369112172 /nfs/dbraw/zinc/11/21/72/369112172.db2.gz VEZWIJGXUFBSSW-HZPDHXFCSA-N 2 2 278.444 1.638 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860815 369470920 /nfs/dbraw/zinc/47/09/20/369470920.db2.gz XLXGNTBBDZRWTI-KBPBESRZSA-N 2 2 267.417 1.483 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860815 369470925 /nfs/dbraw/zinc/47/09/25/369470925.db2.gz XLXGNTBBDZRWTI-KBPBESRZSA-N 2 2 267.417 1.483 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860815 369470927 /nfs/dbraw/zinc/47/09/27/369470927.db2.gz XLXGNTBBDZRWTI-KBPBESRZSA-N 2 2 267.417 1.483 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860815 369470931 /nfs/dbraw/zinc/47/09/31/369470931.db2.gz XLXGNTBBDZRWTI-KBPBESRZSA-N 2 2 267.417 1.483 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000564843722 370274529 /nfs/dbraw/zinc/27/45/29/370274529.db2.gz DODBVGBZQWPSNA-NSHDSACASA-N 2 2 266.307 1.540 20 30 CDEDLP CCn1c[nH+]cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000580704382 372259698 /nfs/dbraw/zinc/25/96/98/372259698.db2.gz RGHFDANQEQGBNY-HNNXBMFYSA-N 2 2 297.362 1.823 20 30 CDEDLP CCn1c[nH+]cc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000580704382 372259704 /nfs/dbraw/zinc/25/97/04/372259704.db2.gz RGHFDANQEQGBNY-HNNXBMFYSA-N 2 2 297.362 1.823 20 30 CDEDLP C=CCCC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578505616 372485846 /nfs/dbraw/zinc/48/58/46/372485846.db2.gz UXWRDPLVGVZTSB-STQMWFEESA-N 2 2 268.405 1.016 20 30 CDEDLP C=CCCC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578505616 372485847 /nfs/dbraw/zinc/48/58/47/372485847.db2.gz UXWRDPLVGVZTSB-STQMWFEESA-N 2 2 268.405 1.016 20 30 CDEDLP Cn1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1C#N ZINC000376769992 374569605 /nfs/dbraw/zinc/56/96/05/374569605.db2.gz XJOZPCLCOZMEMN-UHFFFAOYSA-N 2 2 269.352 1.719 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791830 390916831 /nfs/dbraw/zinc/91/68/31/390916831.db2.gz CEQAASNIQGZGEG-HUUCEWRRSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791830 390916833 /nfs/dbraw/zinc/91/68/33/390916833.db2.gz CEQAASNIQGZGEG-HUUCEWRRSA-N 2 2 292.427 1.165 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000270520965 391276296 /nfs/dbraw/zinc/27/62/96/391276296.db2.gz MBCDCYKJUAGCHA-UHFFFAOYSA-N 2 2 275.400 1.872 20 30 CDEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000411255195 391418089 /nfs/dbraw/zinc/41/80/89/391418089.db2.gz GMDKYDYTEIMYKG-GJZGRUSLSA-N 2 2 265.401 1.723 20 30 CDEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000411255195 391418091 /nfs/dbraw/zinc/41/80/91/391418091.db2.gz GMDKYDYTEIMYKG-GJZGRUSLSA-N 2 2 265.401 1.723 20 30 CDEDLP N#CCNC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361060195 391678804 /nfs/dbraw/zinc/67/88/04/391678804.db2.gz VDWAVYWFMBISKU-UHFFFAOYSA-N 2 2 289.383 1.015 20 30 CDEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])NC1CC1 ZINC000261697386 391680749 /nfs/dbraw/zinc/68/07/49/391680749.db2.gz BYXDFTYUTROESY-UHFFFAOYSA-N 2 2 257.341 1.411 20 30 CDEDLP CCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000261996115 391753091 /nfs/dbraw/zinc/75/30/91/391753091.db2.gz NYXVDYMHGCKCAQ-NSHDSACASA-N 2 2 280.441 1.809 20 30 CDEDLP CCCNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000261996115 391753092 /nfs/dbraw/zinc/75/30/92/391753092.db2.gz NYXVDYMHGCKCAQ-NSHDSACASA-N 2 2 280.441 1.809 20 30 CDEDLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329727557 391760488 /nfs/dbraw/zinc/76/04/88/391760488.db2.gz CLCNSZTTYJUSNF-NWDGAFQWSA-N 2 2 287.367 1.904 20 30 CDEDLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329727557 391760494 /nfs/dbraw/zinc/76/04/94/391760494.db2.gz CLCNSZTTYJUSNF-NWDGAFQWSA-N 2 2 287.367 1.904 20 30 CDEDLP C[C@@H]1C[NH+]=C(NC[C@@H](c2cccc(F)c2)[NH+](C)C)N1 ZINC000262649486 391806839 /nfs/dbraw/zinc/80/68/39/391806839.db2.gz KAFDPJRNOYWMLP-MFKMUULPSA-N 2 2 264.348 1.366 20 30 CDEDLP C[NH+]=C(NC[C@H](c1ccsc1)[NH+](C)C)N[C@H]1C[C@H]1C ZINC000262685176 391812888 /nfs/dbraw/zinc/81/28/88/391812888.db2.gz ADLLEVGTORHBAR-KGYLQXTDSA-N 2 2 280.441 1.924 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(C#N)cc1 ZINC000423509049 392964618 /nfs/dbraw/zinc/96/46/18/392964618.db2.gz IJZIFMSLYYNNLW-SWLSCSKDSA-N 2 2 258.369 1.112 20 30 CDEDLP Cc1cc(NCC2([NH+](C)C)CCOCC2)c(C#N)c[nH+]1 ZINC000425231192 392999300 /nfs/dbraw/zinc/99/93/00/392999300.db2.gz RYNPAGGWYUYSKM-UHFFFAOYSA-N 2 2 274.368 1.206 20 30 CDEDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000346133575 153063665 /nfs/dbraw/zinc/06/36/65/153063665.db2.gz JQYDMYRYUJZFFM-GWCFXTLKSA-N 2 2 265.332 1.270 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)/C=C/c1[nH+]ccn1CC ZINC000490936769 261257882 /nfs/dbraw/zinc/25/78/82/261257882.db2.gz RPBGZIYSSCPRFR-NPQIQWPPSA-N 2 2 287.363 1.557 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)/C=C/c1[nH+]ccn1CC ZINC000490936769 261257884 /nfs/dbraw/zinc/25/78/84/261257884.db2.gz RPBGZIYSSCPRFR-NPQIQWPPSA-N 2 2 287.363 1.557 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000331335338 264193245 /nfs/dbraw/zinc/19/32/45/264193245.db2.gz ULNBTYIBRXGYMS-FRRDWIJNSA-N 2 2 298.431 1.230 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000331335338 264193248 /nfs/dbraw/zinc/19/32/48/264193248.db2.gz ULNBTYIBRXGYMS-FRRDWIJNSA-N 2 2 298.431 1.230 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000331335338 264193251 /nfs/dbraw/zinc/19/32/51/264193251.db2.gz ULNBTYIBRXGYMS-FRRDWIJNSA-N 2 2 298.431 1.230 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000331335338 264193254 /nfs/dbraw/zinc/19/32/54/264193254.db2.gz ULNBTYIBRXGYMS-FRRDWIJNSA-N 2 2 298.431 1.230 20 30 CDEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CC1)c1ccsc1 ZINC000261877464 328143006 /nfs/dbraw/zinc/14/30/06/328143006.db2.gz QFQPJXJWVYLRPW-LLVKDONJSA-N 2 2 252.387 1.418 20 30 CDEDLP C=C(C)CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583079943 329311243 /nfs/dbraw/zinc/31/12/43/329311243.db2.gz SEMQIKMMMFTOFQ-HZSPNIEDSA-N 2 2 256.390 1.012 20 30 CDEDLP C=C(C)CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583079943 329311245 /nfs/dbraw/zinc/31/12/45/329311245.db2.gz SEMQIKMMMFTOFQ-HZSPNIEDSA-N 2 2 256.390 1.012 20 30 CDEDLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000424206524 330327769 /nfs/dbraw/zinc/32/77/69/330327769.db2.gz WSIBCPGONXQGAS-WDEREUQCSA-N 2 2 264.398 1.987 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1 ZINC000491662560 332271968 /nfs/dbraw/zinc/27/19/68/332271968.db2.gz RGIGQYAEEAWMPK-UHFFFAOYSA-N 2 2 274.368 1.106 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068430573 518860898 /nfs/dbraw/zinc/86/08/98/518860898.db2.gz FKURAXKXGVZFCR-UHFFFAOYSA-N 2 2 284.363 1.715 20 30 CDEDLP C=CCCCCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001113384536 1162165173 /nfs/dbraw/zinc/16/51/73/1162165173.db2.gz AWLHBKJPBMHMPJ-UHFFFAOYSA-N 2 2 290.411 1.843 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000764508260 575917149 /nfs/dbraw/zinc/91/71/49/575917149.db2.gz UPSUVIVQAYIEGZ-UHFFFAOYSA-N 2 2 272.352 1.377 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000951628256 613009577 /nfs/dbraw/zinc/00/95/77/613009577.db2.gz MKSKPTDJZCLEKQ-HOTGVXAUSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000951628256 613009578 /nfs/dbraw/zinc/00/95/78/613009578.db2.gz MKSKPTDJZCLEKQ-HOTGVXAUSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CC[NH+]1CC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970064286 613126723 /nfs/dbraw/zinc/12/67/23/613126723.db2.gz CHOGYLRWHHZBSB-LBPRGKRZSA-N 2 2 282.347 1.018 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968976158 613348768 /nfs/dbraw/zinc/34/87/68/613348768.db2.gz ASKVZOBTRAWIIZ-JHJVBQTASA-N 2 2 274.368 1.280 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968976158 613348769 /nfs/dbraw/zinc/34/87/69/613348769.db2.gz ASKVZOBTRAWIIZ-JHJVBQTASA-N 2 2 274.368 1.280 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969974587 613371658 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C=CC[N@@H+]1CC=C(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001755887004 1186101856 /nfs/dbraw/zinc/10/18/56/1186101856.db2.gz DALZTWBBTHICTH-UHFFFAOYSA-N 2 2 274.368 1.277 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045537 1164026243 /nfs/dbraw/zinc/02/62/43/1164026243.db2.gz KPGGNCCWYBMLGI-CHWSQXEVSA-N 2 2 276.384 1.196 20 30 CDEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228345 1164076554 /nfs/dbraw/zinc/07/65/54/1164076554.db2.gz NNZJCMXESYYRLM-CHWSQXEVSA-N 2 2 276.384 1.239 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192464 837386782 /nfs/dbraw/zinc/38/67/82/837386782.db2.gz SFSPVEGSICWOHF-CQSZACIVSA-N 2 2 296.374 1.733 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192464 837386795 /nfs/dbraw/zinc/38/67/95/837386795.db2.gz SFSPVEGSICWOHF-CQSZACIVSA-N 2 2 296.374 1.733 20 30 CDEDLP C#CC[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001054662854 837402328 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ZINC000989489360 841958298 /nfs/dbraw/zinc/95/82/98/841958298.db2.gz XJAOMZGUXFTTIE-PWSUYJOCSA-N 2 2 282.775 1.284 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000328103265 842354319 /nfs/dbraw/zinc/35/43/19/842354319.db2.gz LWRWRVIARKWQDH-UHFFFAOYSA-N 2 2 282.391 1.917 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000328103265 842354332 /nfs/dbraw/zinc/35/43/32/842354332.db2.gz LWRWRVIARKWQDH-UHFFFAOYSA-N 2 2 282.391 1.917 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350266 914081850 /nfs/dbraw/zinc/08/18/50/914081850.db2.gz APFHLSVRSMLOAJ-GFCCVEGCSA-N 2 2 276.384 1.158 20 30 CDEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172294890 911592636 /nfs/dbraw/zinc/59/26/36/911592636.db2.gz NMPIULCFKPHTKM-WFASDCNBSA-N 2 2 259.353 1.149 20 30 CDEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172294890 911592649 /nfs/dbraw/zinc/59/26/49/911592649.db2.gz NMPIULCFKPHTKM-WFASDCNBSA-N 2 2 259.353 1.149 20 30 CDEDLP C=CC[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547387 914886982 /nfs/dbraw/zinc/88/69/82/914886982.db2.gz KFPWTTYGLCSPBF-ZIAGYGMSSA-N 2 2 288.395 1.046 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001183629192 918595718 /nfs/dbraw/zinc/59/57/18/918595718.db2.gz KOLGOOBTCBWSTO-CYBMUJFWSA-N 2 2 282.347 1.390 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185501976 919634473 /nfs/dbraw/zinc/63/44/73/919634473.db2.gz JYRIQYHJQBSRAB-KGLIPLIRSA-N 2 2 290.411 1.223 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080851534 924646951 /nfs/dbraw/zinc/64/69/51/924646951.db2.gz OLFGJNJHGHMMJF-BXUZGUMPSA-N 2 2 276.384 1.273 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080851534 924646958 /nfs/dbraw/zinc/64/69/58/924646958.db2.gz OLFGJNJHGHMMJF-BXUZGUMPSA-N 2 2 276.384 1.273 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407749 937057051 /nfs/dbraw/zinc/05/70/51/937057051.db2.gz KDKWZDVHTPBQFV-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407749 937057054 /nfs/dbraw/zinc/05/70/54/937057054.db2.gz KDKWZDVHTPBQFV-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085638998 926237701 /nfs/dbraw/zinc/23/77/01/926237701.db2.gz GGBMYVBJBUNZLS-KGLIPLIRSA-N 2 2 288.395 1.479 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085638998 926237708 /nfs/dbraw/zinc/23/77/08/926237708.db2.gz GGBMYVBJBUNZLS-KGLIPLIRSA-N 2 2 288.395 1.479 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668640 926258526 /nfs/dbraw/zinc/25/85/26/926258526.db2.gz HYORQEMTQHWEBO-HNNXBMFYSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668640 926258535 /nfs/dbraw/zinc/25/85/35/926258535.db2.gz HYORQEMTQHWEBO-HNNXBMFYSA-N 2 2 289.423 1.028 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676888 926268336 /nfs/dbraw/zinc/26/83/36/926268336.db2.gz ZXLAGBDJXJGYCM-KGLIPLIRSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676888 926268341 /nfs/dbraw/zinc/26/83/41/926268341.db2.gz ZXLAGBDJXJGYCM-KGLIPLIRSA-N 2 2 288.395 1.164 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085687255 926285751 /nfs/dbraw/zinc/28/57/51/926285751.db2.gz LSLOAIFXEDLQAQ-HZPDHXFCSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085687255 926285755 /nfs/dbraw/zinc/28/57/55/926285755.db2.gz LSLOAIFXEDLQAQ-HZPDHXFCSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687255 926285761 /nfs/dbraw/zinc/28/57/61/926285761.db2.gz LSLOAIFXEDLQAQ-HZPDHXFCSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687255 926285769 /nfs/dbraw/zinc/28/57/69/926285769.db2.gz LSLOAIFXEDLQAQ-HZPDHXFCSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472255 937143367 /nfs/dbraw/zinc/14/33/67/937143367.db2.gz KJIDIQMVJUHGIW-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472255 937143371 /nfs/dbraw/zinc/14/33/71/937143371.db2.gz KJIDIQMVJUHGIW-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205213 927853415 /nfs/dbraw/zinc/85/34/15/927853415.db2.gz VGYYAMANJUYKFU-LBPRGKRZSA-N 2 2 264.373 1.403 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001112908923 929554799 /nfs/dbraw/zinc/55/47/99/929554799.db2.gz IUZYNBVTHKZZBD-CQSZACIVSA-N 2 2 285.407 1.387 20 30 CDEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135949174 930554736 /nfs/dbraw/zinc/55/47/36/930554736.db2.gz IYIPUMXCCRIQCC-STQMWFEESA-N 2 2 278.400 1.412 20 30 CDEDLP CCCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000104159986 931321477 /nfs/dbraw/zinc/32/14/77/931321477.db2.gz BFOJKJKIXPEKAK-ZDUSSCGKSA-N 2 2 270.421 1.048 20 30 CDEDLP C[C@@H](Nc1[nH+]ccc2[nH]cc(C#N)c21)[C@@H]1C[NH2+]CCO1 ZINC001159500307 938735648 /nfs/dbraw/zinc/73/56/48/938735648.db2.gz RSMQUGKQROBWSH-SKDRFNHKSA-N 2 2 271.324 1.223 20 30 CDEDLP C=CC[N@H+]1CCC[C@H]1CNc1cc(N(C)C)[nH+]cn1 ZINC001160951230 938848379 /nfs/dbraw/zinc/84/83/79/938848379.db2.gz ANAKVAPKRRWEHQ-LBPRGKRZSA-N 2 2 261.373 1.605 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H]1CNc1cc(N(C)C)[nH+]cn1 ZINC001160951230 938848383 /nfs/dbraw/zinc/84/83/83/938848383.db2.gz ANAKVAPKRRWEHQ-LBPRGKRZSA-N 2 2 261.373 1.605 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161324488 938888746 /nfs/dbraw/zinc/88/87/46/938888746.db2.gz WMQFZBXZIZSLSN-GFCCVEGCSA-N 2 2 276.384 1.105 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161324488 938888749 /nfs/dbraw/zinc/88/87/49/938888749.db2.gz WMQFZBXZIZSLSN-GFCCVEGCSA-N 2 2 276.384 1.105 20 30 CDEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c2c1 ZINC001165269413 939537784 /nfs/dbraw/zinc/53/77/84/939537784.db2.gz LBXHPOUHJCZODD-HOTGVXAUSA-N 2 2 294.358 1.674 20 30 CDEDLP Cc1[nH+]c2c(n1-c1cc(C#N)cc(Cl)n1)CC[NH2+]CC2 ZINC001165351729 939550131 /nfs/dbraw/zinc/55/01/31/939550131.db2.gz GXYLJECSMAGGQN-UHFFFAOYSA-N 2 2 287.754 1.789 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1F ZINC001205734192 939929747 /nfs/dbraw/zinc/92/97/47/939929747.db2.gz CFIDAKCNLNGCTG-HNNXBMFYSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1F ZINC001205734192 939929749 /nfs/dbraw/zinc/92/97/49/939929749.db2.gz CFIDAKCNLNGCTG-HNNXBMFYSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1ccn2ncc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206213453 939999081 /nfs/dbraw/zinc/99/90/81/939999081.db2.gz VIHVASUWSVHTLW-KBPBESRZSA-N 2 2 287.342 1.467 20 30 CDEDLP N#Cc1ccn2ncc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206213453 939999084 /nfs/dbraw/zinc/99/90/84/939999084.db2.gz VIHVASUWSVHTLW-KBPBESRZSA-N 2 2 287.342 1.467 20 30 CDEDLP N#Cc1ccn2ncc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c2c1 ZINC001206213455 939999350 /nfs/dbraw/zinc/99/93/50/939999350.db2.gz VIHVASUWSVHTLW-KGLIPLIRSA-N 2 2 287.342 1.467 20 30 CDEDLP N#Cc1ccn2ncc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c2c1 ZINC001206213455 939999352 /nfs/dbraw/zinc/99/93/52/939999352.db2.gz VIHVASUWSVHTLW-KGLIPLIRSA-N 2 2 287.342 1.467 20 30 CDEDLP N#Cc1c(F)ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1F ZINC001218914212 941287793 /nfs/dbraw/zinc/28/77/93/941287793.db2.gz UFRGICZFILLAMA-UHFFFAOYSA-N 2 2 294.305 1.117 20 30 CDEDLP N#CC1(CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCC1 ZINC001219632884 941366727 /nfs/dbraw/zinc/36/67/27/941366727.db2.gz SKNMWPQVFKGZBK-ZDUSSCGKSA-N 2 2 272.352 1.069 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222092208 941563654 /nfs/dbraw/zinc/56/36/54/941563654.db2.gz LDFXXALGRXVEIF-HNNXBMFYSA-N 2 2 290.411 1.820 20 30 CDEDLP CCc1cc(C#N)ccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235058841 944033404 /nfs/dbraw/zinc/03/34/04/944033404.db2.gz AKICVMIXBCCDCL-KRWDZBQOSA-N 2 2 284.407 1.258 20 30 CDEDLP CCc1cc(C#N)ccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235058841 944033411 /nfs/dbraw/zinc/03/34/11/944033411.db2.gz AKICVMIXBCCDCL-KRWDZBQOSA-N 2 2 284.407 1.258 20 30 CDEDLP COCC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254665778 947577684 /nfs/dbraw/zinc/57/76/84/947577684.db2.gz PZGNYOCWCMTLPX-UKRRQHHQSA-N 2 2 265.401 1.721 20 30 CDEDLP COCC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254665778 947577689 /nfs/dbraw/zinc/57/76/89/947577689.db2.gz PZGNYOCWCMTLPX-UKRRQHHQSA-N 2 2 265.401 1.721 20 30 CDEDLP C[NH+]1CCC([NH+]2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001256211216 948244122 /nfs/dbraw/zinc/24/41/22/948244122.db2.gz RMHUFYMPWIIPFF-UHFFFAOYSA-N 2 2 284.407 1.774 20 30 CDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654306 948389714 /nfs/dbraw/zinc/38/97/14/948389714.db2.gz JVMDOARJXIKQFG-UHOFOFEASA-N 2 2 255.365 1.912 20 30 CDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654306 948389723 /nfs/dbraw/zinc/38/97/23/948389723.db2.gz JVMDOARJXIKQFG-UHOFOFEASA-N 2 2 255.365 1.912 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246766060 948429648 /nfs/dbraw/zinc/42/96/48/948429648.db2.gz JQPQZVYMOVEMTB-OWCLPIDISA-N 2 2 280.412 1.565 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246766060 948429653 /nfs/dbraw/zinc/42/96/53/948429653.db2.gz JQPQZVYMOVEMTB-OWCLPIDISA-N 2 2 280.412 1.565 20 30 CDEDLP C=CCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132533586 1163355755 /nfs/dbraw/zinc/35/57/55/1163355755.db2.gz PACQXUNDIZSMBX-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132533586 1163355764 /nfs/dbraw/zinc/35/57/64/1163355764.db2.gz PACQXUNDIZSMBX-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135367 1163578757 /nfs/dbraw/zinc/57/87/57/1163578757.db2.gz PZZWYKKMRDSVJR-QWHCGFSZSA-N 2 2 276.384 1.212 20 30 CDEDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](O)c1cccc(C#N)c1 ZINC001576487335 1171436060 /nfs/dbraw/zinc/43/60/60/1171436060.db2.gz KOMNNMWBCMETTG-KBPBESRZSA-N 2 2 259.353 1.322 20 30 CDEDLP C[C@@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000609030377 342087568 /nfs/dbraw/zinc/08/75/68/342087568.db2.gz DLACPQYLPZZFIL-AWEZNQCLSA-N 2 2 273.380 1.911 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C(C)C)C2CCCC2)CC1 ZINC000081670511 342371841 /nfs/dbraw/zinc/37/18/41/342371841.db2.gz GCDWGMYIMIVWHE-UHFFFAOYSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C(C)C)C2CCCC2)CC1 ZINC000081670511 342371842 /nfs/dbraw/zinc/37/18/42/342371842.db2.gz GCDWGMYIMIVWHE-UHFFFAOYSA-N 2 2 291.439 1.417 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000565888999 365742445 /nfs/dbraw/zinc/74/24/45/365742445.db2.gz UJMVBIIJZNJUAT-NSHDSACASA-N 2 2 265.382 1.164 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000565888999 365742457 /nfs/dbraw/zinc/74/24/57/365742457.db2.gz UJMVBIIJZNJUAT-NSHDSACASA-N 2 2 265.382 1.164 20 30 CDEDLP CC#CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000159958228 362382085 /nfs/dbraw/zinc/38/20/85/362382085.db2.gz GRVCYIISEDDJTL-HOTGVXAUSA-N 2 2 263.429 1.500 20 30 CDEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000602485266 344449213 /nfs/dbraw/zinc/44/92/13/344449213.db2.gz WZQNLSLFCDBESX-IKGGRYGDSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@H](CCC#N)C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000602485266 344449215 /nfs/dbraw/zinc/44/92/15/344449215.db2.gz WZQNLSLFCDBESX-IKGGRYGDSA-N 2 2 292.471 1.884 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602507391 344457847 /nfs/dbraw/zinc/45/78/47/344457847.db2.gz IBUBEDNEJZRMDW-HUUCEWRRSA-N 2 2 267.417 1.873 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602507391 344457849 /nfs/dbraw/zinc/45/78/49/344457849.db2.gz IBUBEDNEJZRMDW-HUUCEWRRSA-N 2 2 267.417 1.873 20 30 CDEDLP COCCC[N@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602560987 344469002 /nfs/dbraw/zinc/46/90/02/344469002.db2.gz PCQBIAADRDHZCB-HNNXBMFYSA-N 2 2 297.443 1.643 20 30 CDEDLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602560987 344469004 /nfs/dbraw/zinc/46/90/04/344469004.db2.gz PCQBIAADRDHZCB-HNNXBMFYSA-N 2 2 297.443 1.643 20 30 CDEDLP Cc1cccn2c(C[NH2+]C3CCN(CC#N)CC3)c[nH+]c12 ZINC000610270908 346238549 /nfs/dbraw/zinc/23/85/49/346238549.db2.gz GQDIFMXCTOJWGD-UHFFFAOYSA-N 2 2 283.379 1.720 20 30 CDEDLP CC#CC[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000641768708 365835546 /nfs/dbraw/zinc/83/55/46/365835546.db2.gz GLGYIUBGGVCMRR-JQHSSLGASA-N 2 2 286.419 1.871 20 30 CDEDLP CC#CC[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000641768708 365835551 /nfs/dbraw/zinc/83/55/51/365835551.db2.gz GLGYIUBGGVCMRR-JQHSSLGASA-N 2 2 286.419 1.871 20 30 CDEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392778 346775991 /nfs/dbraw/zinc/77/59/91/346775991.db2.gz LSIHQSPDIOEZIT-AEFFLSMTSA-N 2 2 298.434 1.771 20 30 CDEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392778 346775992 /nfs/dbraw/zinc/77/59/92/346775992.db2.gz LSIHQSPDIOEZIT-AEFFLSMTSA-N 2 2 298.434 1.771 20 30 CDEDLP CCNC(NCCCCNc1cccc[nH+]1)=[NH+]CC ZINC000066246652 348977682 /nfs/dbraw/zinc/97/76/82/348977682.db2.gz CPIFCGBYZDDWIE-UHFFFAOYSA-N 2 2 263.389 1.849 20 30 CDEDLP N#Cc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)n1 ZINC000602620357 350133156 /nfs/dbraw/zinc/13/31/56/350133156.db2.gz BCTNXRSEWWYUNG-NSHDSACASA-N 2 2 253.309 1.254 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621778174 350774791 /nfs/dbraw/zinc/77/47/91/350774791.db2.gz LTANWOUPZCUVOC-UKRRQHHQSA-N 2 2 263.385 1.000 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621778174 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C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265472496 359330566 /nfs/dbraw/zinc/33/05/66/359330566.db2.gz IMCAMFOXOPFPJY-LLVKDONJSA-N 2 2 262.357 1.280 20 30 CDEDLP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000235004775 359682354 /nfs/dbraw/zinc/68/23/54/359682354.db2.gz SZTMUOZPOMRPAV-KBPBESRZSA-N 2 2 257.337 1.218 20 30 CDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157346918 360847414 /nfs/dbraw/zinc/84/74/14/360847414.db2.gz QOGDUFPCRRCQBL-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157346918 360847417 /nfs/dbraw/zinc/84/74/17/360847417.db2.gz QOGDUFPCRRCQBL-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C[NH+]1CCN(C(=O)CC[N@H+](CCC#N)CC(C)(C)C)CC1 ZINC000338316580 360857973 /nfs/dbraw/zinc/85/79/73/360857973.db2.gz QHFVRDMZXYKGKZ-UHFFFAOYSA-N 2 2 294.443 1.412 20 30 CDEDLP C[NH+]1CCN(C(=O)CC[N@@H+](CCC#N)CC(C)(C)C)CC1 ZINC000338316580 360857977 /nfs/dbraw/zinc/85/79/77/360857977.db2.gz QHFVRDMZXYKGKZ-UHFFFAOYSA-N 2 2 294.443 1.412 20 30 CDEDLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000329214244 227355437 /nfs/dbraw/zinc/35/54/37/227355437.db2.gz KWFWYLZUXDCJLW-LLVKDONJSA-N 2 2 262.357 1.783 20 30 CDEDLP C=CC[C@@H](CC)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000375597072 370871905 /nfs/dbraw/zinc/87/19/05/370871905.db2.gz LXPSWNNFPBKEHY-MRXNPFEDSA-N 2 2 295.471 1.727 20 30 CDEDLP C=CC[C@@H](CC)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000375597072 370871915 /nfs/dbraw/zinc/87/19/15/370871915.db2.gz LXPSWNNFPBKEHY-MRXNPFEDSA-N 2 2 295.471 1.727 20 30 CDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3(C#N)CC3)C2)CC1 ZINC000538348637 368270181 /nfs/dbraw/zinc/27/01/81/368270181.db2.gz CATFNWCAWWYFBC-OAHLLOKOSA-N 2 2 276.428 1.390 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000130390089 368822641 /nfs/dbraw/zinc/82/26/41/368822641.db2.gz AWKNANKEJRHDFE-AWEZNQCLSA-N 2 2 291.399 1.213 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130390089 368822644 /nfs/dbraw/zinc/82/26/44/368822644.db2.gz AWKNANKEJRHDFE-AWEZNQCLSA-N 2 2 291.399 1.213 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420353974 376334713 /nfs/dbraw/zinc/33/47/13/376334713.db2.gz CQDLHROSKGLDEG-LBPRGKRZSA-N 2 2 253.390 1.150 20 30 CDEDLP CC#CCN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420977453 376544878 /nfs/dbraw/zinc/54/48/78/376544878.db2.gz IDTHVOCRTOMNRR-UHFFFAOYSA-N 2 2 263.429 1.502 20 30 CDEDLP CC#CCN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420977453 376544884 /nfs/dbraw/zinc/54/48/84/376544884.db2.gz IDTHVOCRTOMNRR-UHFFFAOYSA-N 2 2 263.429 1.502 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)nn1 ZINC000655940908 412953202 /nfs/dbraw/zinc/95/32/02/412953202.db2.gz HCPBBCFIENTZCA-OAHLLOKOSA-N 2 2 277.416 1.851 20 30 CDEDLP C=CCC(C)(C)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000521031015 262199442 /nfs/dbraw/zinc/19/94/42/262199442.db2.gz MNPHBKONCAMYCT-KFWWJZLASA-N 2 2 284.444 1.648 20 30 CDEDLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CCC#N)c2)CCO1 ZINC000575052996 335059722 /nfs/dbraw/zinc/05/97/22/335059722.db2.gz YVISIJUAYBSNIS-CQSZACIVSA-N 2 2 273.380 1.911 20 30 CDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CCC#N)c2)CCO1 ZINC000575052996 335059723 /nfs/dbraw/zinc/05/97/23/335059723.db2.gz YVISIJUAYBSNIS-CQSZACIVSA-N 2 2 273.380 1.911 20 30 CDEDLP COc1cc[nH+]c(N2CC[NH+](CCCC#N)CC2)c1 ZINC000104718373 390490263 /nfs/dbraw/zinc/49/02/63/390490263.db2.gz YOLJGXNFLTXTPY-UHFFFAOYSA-N 2 2 260.341 1.516 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000104153823 390484860 /nfs/dbraw/zinc/48/48/60/390484860.db2.gz OGISVTDQVOBILN-TZMCWYRMSA-N 2 2 278.400 1.229 20 30 CDEDLP C=C(C)CC[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000449470913 390525101 /nfs/dbraw/zinc/52/51/01/390525101.db2.gz BMWAYDYLBNOWOM-UHFFFAOYSA-N 2 2 268.401 1.960 20 30 CDEDLP C[N@H+](CCNC(=[NH2+])NC1CC1)Cc1ccc(F)cc1 ZINC000267364964 391192496 /nfs/dbraw/zinc/19/24/96/391192496.db2.gz SLDJSLIQXSBAHO-UHFFFAOYSA-N 2 2 264.348 1.324 20 30 CDEDLP C[N@@H+](CCNC(=[NH2+])NC1CC1)Cc1ccc(F)cc1 ZINC000267364964 391192497 /nfs/dbraw/zinc/19/24/97/391192497.db2.gz SLDJSLIQXSBAHO-UHFFFAOYSA-N 2 2 264.348 1.324 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354223134 391411037 /nfs/dbraw/zinc/41/10/37/391411037.db2.gz NIRISIVYPPVVBX-LSDHHAIUSA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354223134 391411038 /nfs/dbraw/zinc/41/10/38/391411038.db2.gz NIRISIVYPPVVBX-LSDHHAIUSA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354223134 391411039 /nfs/dbraw/zinc/41/10/39/391411039.db2.gz NIRISIVYPPVVBX-LSDHHAIUSA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354223134 391411040 /nfs/dbraw/zinc/41/10/40/391411040.db2.gz NIRISIVYPPVVBX-LSDHHAIUSA-N 2 2 294.443 1.553 20 30 CDEDLP C[C@@H]1C[NH+]=C(NCc2ccc(-n3cc[nH+]c3)c(F)c2)N1 ZINC000262675896 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COCC#CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000684212790 482705485 /nfs/dbraw/zinc/70/54/85/482705485.db2.gz ZGZIMOQSGWRPPY-HDICACEKSA-N 2 2 284.403 1.700 20 30 CDEDLP COCC#CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000684212790 482705486 /nfs/dbraw/zinc/70/54/86/482705486.db2.gz ZGZIMOQSGWRPPY-HDICACEKSA-N 2 2 284.403 1.700 20 30 CDEDLP COCC#CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000684212790 482705487 /nfs/dbraw/zinc/70/54/87/482705487.db2.gz ZGZIMOQSGWRPPY-HDICACEKSA-N 2 2 284.403 1.700 20 30 CDEDLP COCC#CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000684212790 482705489 /nfs/dbraw/zinc/70/54/89/482705489.db2.gz ZGZIMOQSGWRPPY-HDICACEKSA-N 2 2 284.403 1.700 20 30 CDEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=[NH+]n1cnnc1 ZINC000734361295 575341452 /nfs/dbraw/zinc/34/14/52/575341452.db2.gz AYVHHLZEQXCOCU-GFCCVEGCSA-N 2 2 270.340 1.419 20 30 CDEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=[NH+]n1cnnc1 ZINC000734361295 575341456 /nfs/dbraw/zinc/34/14/56/575341456.db2.gz AYVHHLZEQXCOCU-GFCCVEGCSA-N 2 2 270.340 1.419 20 30 CDEDLP Cc1[nH+]c(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c2ccccn12 ZINC000753937966 576867721 /nfs/dbraw/zinc/86/77/21/576867721.db2.gz HVSCXADHRRMSAO-STQMWFEESA-N 2 2 296.378 1.837 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCC)CC1(C)C ZINC000974683078 613202892 /nfs/dbraw/zinc/20/28/92/613202892.db2.gz BMUWJBWHLIRBRU-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCC)CC1(C)C ZINC000974683078 613202893 /nfs/dbraw/zinc/20/28/93/613202893.db2.gz BMUWJBWHLIRBRU-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC)CC1(C)C ZINC000974683078 613202895 /nfs/dbraw/zinc/20/28/95/613202895.db2.gz BMUWJBWHLIRBRU-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC)CC1(C)C ZINC000974683078 613202897 /nfs/dbraw/zinc/20/28/97/613202897.db2.gz BMUWJBWHLIRBRU-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP 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C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027448713 846888674 /nfs/dbraw/zinc/88/86/74/846888674.db2.gz LRGAWTCDLRXDGO-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027448713 846888676 /nfs/dbraw/zinc/88/86/76/846888676.db2.gz LRGAWTCDLRXDGO-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027448713 846888681 /nfs/dbraw/zinc/88/86/81/846888681.db2.gz LRGAWTCDLRXDGO-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027448713 846888684 /nfs/dbraw/zinc/88/86/84/846888684.db2.gz LRGAWTCDLRXDGO-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC ZINC001037999668 846955342 /nfs/dbraw/zinc/95/53/42/846955342.db2.gz YOELXXRGRVHWEY-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001019203559 847286203 /nfs/dbraw/zinc/28/62/03/847286203.db2.gz VPGNOGIYLYGLJC-HNNXBMFYSA-N 2 2 296.374 1.862 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001054795155 847392902 /nfs/dbraw/zinc/39/29/02/847392902.db2.gz UIXSOLWRYIROMU-OCCSQVGLSA-N 2 2 290.411 1.549 20 30 CDEDLP C#CC[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001005584124 847591231 /nfs/dbraw/zinc/59/12/31/847591231.db2.gz QAXSQSTUSNEVBR-UHFFFAOYSA-N 2 2 296.374 1.733 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981563 912436590 /nfs/dbraw/zinc/43/65/90/912436590.db2.gz ASIPEQARAUJBOY-OCCSQVGLSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981563 912436598 /nfs/dbraw/zinc/43/65/98/912436598.db2.gz ASIPEQARAUJBOY-OCCSQVGLSA-N 2 2 276.384 1.118 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174580215 913220274 /nfs/dbraw/zinc/22/02/74/913220274.db2.gz IFNWXVQLXCIQQG-AWEZNQCLSA-N 2 2 276.384 1.171 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088749595 909271156 /nfs/dbraw/zinc/27/11/56/909271156.db2.gz DJQUUGPJDAEBDC-OLZOCXBDSA-N 2 2 296.802 1.523 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088749595 909271168 /nfs/dbraw/zinc/27/11/68/909271168.db2.gz DJQUUGPJDAEBDC-OLZOCXBDSA-N 2 2 296.802 1.523 20 30 CDEDLP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172487987 911724605 /nfs/dbraw/zinc/72/46/05/911724605.db2.gz KCFCTLOPSDVAJL-KBPBESRZSA-N 2 2 265.401 1.912 20 30 CDEDLP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172487987 911724616 /nfs/dbraw/zinc/72/46/16/911724616.db2.gz KCFCTLOPSDVAJL-KBPBESRZSA-N 2 2 265.401 1.912 20 30 CDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001181679619 917281310 /nfs/dbraw/zinc/28/13/10/917281310.db2.gz HJAQOQROHMGHFR-CZUORRHYSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001181679619 917281321 /nfs/dbraw/zinc/28/13/21/917281321.db2.gz HJAQOQROHMGHFR-CZUORRHYSA-N 2 2 288.395 1.050 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001182579855 917977447 /nfs/dbraw/zinc/97/74/47/917977447.db2.gz KLMQTKJKGOIOJL-OAHLLOKOSA-N 2 2 296.374 1.470 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785584 918417580 /nfs/dbraw/zinc/41/75/80/918417580.db2.gz OBAZGCOBUUVUSY-UHFFFAOYSA-N 2 2 290.411 1.434 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185370259 919579854 /nfs/dbraw/zinc/57/98/54/919579854.db2.gz HLOCPUBRGKINLZ-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC001139770823 936645387 /nfs/dbraw/zinc/64/53/87/936645387.db2.gz CDVNNZDUZKCPOF-OAHLLOKOSA-N 2 2 260.385 1.597 20 30 CDEDLP C=CCn1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC001139770823 936645389 /nfs/dbraw/zinc/64/53/89/936645389.db2.gz CDVNNZDUZKCPOF-OAHLLOKOSA-N 2 2 260.385 1.597 20 30 CDEDLP C=CCn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC001139770823 936645390 /nfs/dbraw/zinc/64/53/90/936645390.db2.gz CDVNNZDUZKCPOF-OAHLLOKOSA-N 2 2 260.385 1.597 20 30 CDEDLP C=CCn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC001139770823 936645391 /nfs/dbraw/zinc/64/53/91/936645391.db2.gz CDVNNZDUZKCPOF-OAHLLOKOSA-N 2 2 260.385 1.597 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194438928 924236885 /nfs/dbraw/zinc/23/68/85/924236885.db2.gz CGOOFBRTDVVJDJ-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194438928 924236892 /nfs/dbraw/zinc/23/68/92/924236892.db2.gz CGOOFBRTDVVJDJ-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC)C[C@H]21 ZINC001084418054 925245850 /nfs/dbraw/zinc/24/58/50/925245850.db2.gz SIPVSFDGYHOWEO-OWCLPIDISA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC)C[C@H]21 ZINC001084418054 925245861 /nfs/dbraw/zinc/24/58/61/925245861.db2.gz SIPVSFDGYHOWEO-OWCLPIDISA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC)C[C@H]21 ZINC001084418054 925245872 /nfs/dbraw/zinc/24/58/72/925245872.db2.gz SIPVSFDGYHOWEO-OWCLPIDISA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC)C[C@H]21 ZINC001084418054 925245880 /nfs/dbraw/zinc/24/58/80/925245880.db2.gz SIPVSFDGYHOWEO-OWCLPIDISA-N 2 2 289.423 1.027 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136053763 930626650 /nfs/dbraw/zinc/62/66/50/930626650.db2.gz DLFQYLGBDHVZKR-KBPBESRZSA-N 2 2 290.411 1.249 20 30 CDEDLP C=CCCC[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001274964593 931617951 /nfs/dbraw/zinc/61/79/51/931617951.db2.gz PKPWPHDTLJIKBH-IYBDPMFKSA-N 2 2 290.411 1.234 20 30 CDEDLP C=CCCC[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001274964593 931617954 /nfs/dbraw/zinc/61/79/54/931617954.db2.gz PKPWPHDTLJIKBH-IYBDPMFKSA-N 2 2 290.411 1.234 20 30 CDEDLP C=CC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204062416 932415782 /nfs/dbraw/zinc/41/57/82/932415782.db2.gz NAGBLNDCZYMXRU-UHFFFAOYSA-N 2 2 276.384 1.430 20 30 CDEDLP N#Cc1cc(F)c(Cl)nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867521 938937318 /nfs/dbraw/zinc/93/73/18/938937318.db2.gz SDKHEBUXIWUSAV-UHFFFAOYSA-N 2 2 297.765 1.581 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427757 939052552 /nfs/dbraw/zinc/05/25/52/939052552.db2.gz PFUVSGPXZJRDPW-UHFFFAOYSA-N 2 2 258.325 1.230 20 30 CDEDLP C[NH+](C)C1(CNc2cccc(CC#N)n2)CC[NH+](C)CC1 ZINC001164210459 939430435 /nfs/dbraw/zinc/43/04/35/939430435.db2.gz DHRMMTCQDKJUKT-UHFFFAOYSA-N 2 2 287.411 1.586 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206968711 940119024 /nfs/dbraw/zinc/11/90/24/940119024.db2.gz VOTFDAIUKAUQLG-UHFFFAOYSA-N 2 2 290.411 1.678 20 30 CDEDLP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C[NH3+])C1CC1 ZINC000402185830 940890562 /nfs/dbraw/zinc/89/05/62/940890562.db2.gz ZPGWBDOSFZCYDL-CABCVRRESA-N 2 2 259.353 1.261 20 30 CDEDLP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C[NH3+])C1CC1 ZINC000402185830 940890564 /nfs/dbraw/zinc/89/05/64/940890564.db2.gz ZPGWBDOSFZCYDL-CABCVRRESA-N 2 2 259.353 1.261 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630260 940956392 /nfs/dbraw/zinc/95/63/92/940956392.db2.gz AIKWDLYXVYLZKL-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC001220046887 941407889 /nfs/dbraw/zinc/40/78/89/941407889.db2.gz IIAXYPJPKNQEKP-NHYWBVRUSA-N 2 2 297.362 1.039 20 30 CDEDLP N#C[C@H]1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])C1 ZINC001254650188 947573177 /nfs/dbraw/zinc/57/31/77/947573177.db2.gz UAZXIWVQUWDJQO-QAETUUGQSA-N 2 2 284.407 1.480 20 30 CDEDLP CC[C@H](CC#N)[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001255170913 947764325 /nfs/dbraw/zinc/76/43/25/947764325.db2.gz ZPKMUVZUZRHMGE-BZUAXINKSA-N 2 2 295.427 1.348 20 30 CDEDLP CC[C@H](CC#N)[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001255170913 947764330 /nfs/dbraw/zinc/76/43/30/947764330.db2.gz ZPKMUVZUZRHMGE-BZUAXINKSA-N 2 2 295.427 1.348 20 30 CDEDLP CC[C@H](CC#N)[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001255170913 947764331 /nfs/dbraw/zinc/76/43/31/947764331.db2.gz ZPKMUVZUZRHMGE-BZUAXINKSA-N 2 2 295.427 1.348 20 30 CDEDLP CC[C@H](CC#N)[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001255170913 947764335 /nfs/dbraw/zinc/76/43/35/947764335.db2.gz ZPKMUVZUZRHMGE-BZUAXINKSA-N 2 2 295.427 1.348 20 30 CDEDLP C[C@H]([NH2+]Cc1cccc(OCC#N)c1)[C@H]1CCC[NH2+]1 ZINC001326038225 954193251 /nfs/dbraw/zinc/19/32/51/954193251.db2.gz PBECOCNEIBBYAJ-SWLSCSKDSA-N 2 2 259.353 1.819 20 30 CDEDLP N#Cc1cnn2cc(C[NH2+]CCC[NH+]3CCCC3)cnc12 ZINC001326627230 954463716 /nfs/dbraw/zinc/46/37/16/954463716.db2.gz NLYZYKNBCUZRPE-UHFFFAOYSA-N 2 2 284.367 1.176 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001367404933 957996758 /nfs/dbraw/zinc/99/67/58/957996758.db2.gz HEXBARUDPMVNAS-ZDUSSCGKSA-N 2 2 298.818 1.852 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2c(C)c[nH+]cc2C)CC1 ZINC001337510160 961245014 /nfs/dbraw/zinc/24/50/14/961245014.db2.gz PLPCTLWTPNLZOR-UHFFFAOYSA-N 2 2 271.364 1.404 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC001340173239 962791577 /nfs/dbraw/zinc/79/15/77/962791577.db2.gz PQEGMHZFGVKKNS-ZDUSSCGKSA-N 2 2 276.384 1.683 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001444925346 966003285 /nfs/dbraw/zinc/00/32/85/966003285.db2.gz WWVGRTZOPYXCNW-ZDUSSCGKSA-N 2 2 298.818 1.744 20 30 CDEDLP C=CCCC(C)(C)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353448228 967986309 /nfs/dbraw/zinc/98/63/09/967986309.db2.gz GNUGWXMJCFIJMW-UHFFFAOYSA-N 2 2 296.459 1.701 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100419013 968291614 /nfs/dbraw/zinc/29/16/14/968291614.db2.gz MDAPOSRSTCDTSJ-NWINJMCUSA-N 2 2 288.395 1.574 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100419013 968291619 /nfs/dbraw/zinc/29/16/19/968291619.db2.gz MDAPOSRSTCDTSJ-NWINJMCUSA-N 2 2 288.395 1.574 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001400517758 977069015 /nfs/dbraw/zinc/06/90/15/977069015.db2.gz BBMCJSGCISWVPP-UHFFFAOYSA-N 2 2 299.846 1.519 20 30 CDEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000591756306 342643901 /nfs/dbraw/zinc/64/39/01/342643901.db2.gz XXWMOJBDEDBMDX-BMFZPTHFSA-N 2 2 290.411 1.397 20 30 CDEDLP C[C@H](C#N)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591735022 342644832 /nfs/dbraw/zinc/64/48/32/342644832.db2.gz SSGGXJQDYNNEKS-HIFRSBDPSA-N 2 2 261.369 1.229 20 30 CDEDLP C[C@H](C#N)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591735022 342644833 /nfs/dbraw/zinc/64/48/33/342644833.db2.gz SSGGXJQDYNNEKS-HIFRSBDPSA-N 2 2 261.369 1.229 20 30 CDEDLP N#Cc1sccc1N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000594734536 342949882 /nfs/dbraw/zinc/94/98/82/342949882.db2.gz ANVFXSABENGJAP-ZDUSSCGKSA-N 2 2 290.436 1.741 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC3(C#N)CCC3)C2)CC1 ZINC000595311383 343032870 /nfs/dbraw/zinc/03/28/70/343032870.db2.gz GGDIKRIWYJLULH-OAHLLOKOSA-N 2 2 276.428 1.392 20 30 CDEDLP N#CC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000601966203 344298433 /nfs/dbraw/zinc/29/84/33/344298433.db2.gz QLAQBCURPVFPAU-SFHVURJKSA-N 2 2 299.418 1.907 20 30 CDEDLP N#CC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000601966203 344298434 /nfs/dbraw/zinc/29/84/34/344298434.db2.gz QLAQBCURPVFPAU-SFHVURJKSA-N 2 2 299.418 1.907 20 30 CDEDLP C[C@@H](CCC#N)C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000602430028 344423101 /nfs/dbraw/zinc/42/31/01/344423101.db2.gz HIPVSCTXYZQINW-ZDUSSCGKSA-N 2 2 253.390 1.315 20 30 CDEDLP C[C@@H](CCC#N)C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000602430028 344423102 /nfs/dbraw/zinc/42/31/02/344423102.db2.gz HIPVSCTXYZQINW-ZDUSSCGKSA-N 2 2 253.390 1.315 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602545211 344462037 /nfs/dbraw/zinc/46/20/37/344462037.db2.gz NYWXOPIEHDFKQC-UONOGXRCSA-N 2 2 277.412 1.912 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000602545211 344462039 /nfs/dbraw/zinc/46/20/39/344462039.db2.gz NYWXOPIEHDFKQC-UONOGXRCSA-N 2 2 277.412 1.912 20 30 CDEDLP CC#CC[C@@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000641767765 365831917 /nfs/dbraw/zinc/83/19/17/365831917.db2.gz QOLAUNIPPZDVDH-ZDUSSCGKSA-N 2 2 257.337 1.507 20 30 CDEDLP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000572595100 366062597 /nfs/dbraw/zinc/06/25/97/366062597.db2.gz SUWCFADMHBKLKZ-GJZGRUSLSA-N 2 2 262.401 1.997 20 30 CDEDLP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000572595100 366062599 /nfs/dbraw/zinc/06/25/99/366062599.db2.gz SUWCFADMHBKLKZ-GJZGRUSLSA-N 2 2 262.401 1.997 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000271796058 191332102 /nfs/dbraw/zinc/33/21/02/191332102.db2.gz OKCQVXLVTFBJAH-UHFFFAOYSA-N 2 2 291.399 1.212 20 30 CDEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000344240740 356967838 /nfs/dbraw/zinc/96/78/38/356967838.db2.gz SEJUQXRAERBYOM-ZDUSSCGKSA-N 2 2 293.436 1.802 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277318894 359560542 /nfs/dbraw/zinc/56/05/42/359560542.db2.gz VAIPXUPJZXOCMI-OAHLLOKOSA-N 2 2 279.428 1.603 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277318894 359560545 /nfs/dbraw/zinc/56/05/45/359560545.db2.gz VAIPXUPJZXOCMI-OAHLLOKOSA-N 2 2 279.428 1.603 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](CC)CC)C2)C1=O ZINC000337171998 360008179 /nfs/dbraw/zinc/00/81/79/360008179.db2.gz GHQWXDXSXIMISY-CABCVRRESA-N 2 2 279.428 1.437 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+](CC)CC)C2)C1=O ZINC000337171998 360008184 /nfs/dbraw/zinc/00/81/84/360008184.db2.gz GHQWXDXSXIMISY-CABCVRRESA-N 2 2 279.428 1.437 20 30 CDEDLP CC[C@@](C)(C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375738399 370946925 /nfs/dbraw/zinc/94/69/25/370946925.db2.gz NSHDGOSBIACCGY-CJNGLKHVSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[C@@](C)(C#N)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375738399 370946928 /nfs/dbraw/zinc/94/69/28/370946928.db2.gz NSHDGOSBIACCGY-CJNGLKHVSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C#N)o1 ZINC000347778871 372331852 /nfs/dbraw/zinc/33/18/52/372331852.db2.gz OJUPGNQPCVSZJJ-LBPRGKRZSA-N 2 2 263.341 1.352 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2cc[nH+]cc2O)CC1 ZINC000109891626 373657868 /nfs/dbraw/zinc/65/78/68/373657868.db2.gz QSHFJORHOHQVTO-UHFFFAOYSA-N 2 2 259.309 1.071 20 30 CDEDLP CCCCNC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267410142 391193585 /nfs/dbraw/zinc/19/35/85/391193585.db2.gz YCPWANPKXGALHM-UHFFFAOYSA-N 2 2 280.391 1.962 20 30 CDEDLP CCCCNC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267410142 391193592 /nfs/dbraw/zinc/19/35/92/391193592.db2.gz YCPWANPKXGALHM-UHFFFAOYSA-N 2 2 280.391 1.962 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354224048 391411069 /nfs/dbraw/zinc/41/10/69/391411069.db2.gz PMTCJRNJCIQRDQ-CVEARBPZSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354224048 391411071 /nfs/dbraw/zinc/41/10/71/391411071.db2.gz PMTCJRNJCIQRDQ-CVEARBPZSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354224048 391411072 /nfs/dbraw/zinc/41/10/72/391411072.db2.gz PMTCJRNJCIQRDQ-CVEARBPZSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354224048 391411074 /nfs/dbraw/zinc/41/10/74/391411074.db2.gz PMTCJRNJCIQRDQ-CVEARBPZSA-N 2 2 293.455 1.992 20 30 CDEDLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC1CCOCC1 ZINC000329936316 391802294 /nfs/dbraw/zinc/80/22/94/391802294.db2.gz KZBQDPNFILICIO-LBPRGKRZSA-N 2 2 292.383 1.725 20 30 CDEDLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC1CCOCC1 ZINC000329936316 391802298 /nfs/dbraw/zinc/80/22/98/391802298.db2.gz KZBQDPNFILICIO-LBPRGKRZSA-N 2 2 292.383 1.725 20 30 CDEDLP Cc1ccc([C@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1 ZINC000262686831 391812569 /nfs/dbraw/zinc/81/25/69/391812569.db2.gz YQOAZQRFGZLGDU-OCCSQVGLSA-N 2 2 260.385 1.535 20 30 CDEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404147245 392756688 /nfs/dbraw/zinc/75/66/88/392756688.db2.gz OZCKVFGTMHSYDC-AWEZNQCLSA-N 2 2 276.359 1.033 20 30 CDEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404147245 392756693 /nfs/dbraw/zinc/75/66/93/392756693.db2.gz OZCKVFGTMHSYDC-AWEZNQCLSA-N 2 2 276.359 1.033 20 30 CDEDLP C[N@@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@H](C[NH3+])C1 ZINC000516917170 392817924 /nfs/dbraw/zinc/81/79/24/392817924.db2.gz HLLAQDLTBDJPBJ-SECBINFHSA-N 2 2 299.300 1.051 20 30 CDEDLP C[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@H](C[NH3+])C1 ZINC000516917170 392817928 /nfs/dbraw/zinc/81/79/28/392817928.db2.gz HLLAQDLTBDJPBJ-SECBINFHSA-N 2 2 299.300 1.051 20 30 CDEDLP C=CCCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515467567 393134799 /nfs/dbraw/zinc/13/47/99/393134799.db2.gz DDGNVPUULFUOCG-HZSPNIEDSA-N 2 2 256.390 1.012 20 30 CDEDLP C=CCCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515467567 393134805 /nfs/dbraw/zinc/13/48/05/393134805.db2.gz DDGNVPUULFUOCG-HZSPNIEDSA-N 2 2 256.390 1.012 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H](C)C[NH+](C)C)nn1 ZINC000657471922 414369012 /nfs/dbraw/zinc/36/90/12/414369012.db2.gz JULBVWHVDMYVGM-LBPRGKRZSA-N 2 2 251.378 1.142 20 30 CDEDLP C=CC[C@H](CO)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000341878877 263362517 /nfs/dbraw/zinc/36/25/17/263362517.db2.gz NPDZBELXBIBFJF-AWEZNQCLSA-N 2 2 275.396 1.825 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000171690376 329078199 /nfs/dbraw/zinc/07/81/99/329078199.db2.gz ZTYXJVVWZCFFHA-LBPRGKRZSA-N 2 2 253.390 1.140 20 30 CDEDLP CN(C)C(NCc1ccccc1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000262478776 330016363 /nfs/dbraw/zinc/01/63/63/330016363.db2.gz QYYUQSXYUORKDI-OAHLLOKOSA-N 2 2 297.406 1.905 20 30 CDEDLP C=CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccco1 ZINC000423484765 330206650 /nfs/dbraw/zinc/20/66/50/330206650.db2.gz AKJRFYFKHYOPNV-ZIAGYGMSSA-N 2 2 263.385 1.780 20 30 CDEDLP Cc1ccn2cc(CNC(=O)[C@H]([NH3+])CCCC#N)[nH+]c2c1 ZINC000424137715 330274979 /nfs/dbraw/zinc/27/49/79/330274979.db2.gz SLAPZBLNDFTUIC-CYBMUJFWSA-N 2 2 285.351 1.280 20 30 CDEDLP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001754933227 1159489284 /nfs/dbraw/zinc/48/92/84/1159489284.db2.gz PBUUDLNDCIMCCU-CQSZACIVSA-N 2 2 290.411 1.747 20 30 CDEDLP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755239502 1159810633 /nfs/dbraw/zinc/81/06/33/1159810633.db2.gz CPMXZFXOORGKNT-UONOGXRCSA-N 2 2 290.411 1.433 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001088325462 1160367917 /nfs/dbraw/zinc/36/79/17/1160367917.db2.gz QAYZMIKFZREXLU-OAHLLOKOSA-N 2 2 288.395 1.336 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001088325462 1160367921 /nfs/dbraw/zinc/36/79/21/1160367921.db2.gz QAYZMIKFZREXLU-OAHLLOKOSA-N 2 2 288.395 1.336 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793910 526520931 /nfs/dbraw/zinc/52/09/31/526520931.db2.gz GFVYMECXSYHIDW-UHFFFAOYSA-N 2 2 290.411 1.945 20 30 CDEDLP C=C(Cl)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000759598502 576409725 /nfs/dbraw/zinc/40/97/25/576409725.db2.gz SGWZFABGNCAYDY-UHFFFAOYSA-N 2 2 288.823 1.064 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000765192348 575996622 /nfs/dbraw/zinc/99/66/22/575996622.db2.gz IGFNELWWVJVYJT-CVEARBPZSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000765192348 575996623 /nfs/dbraw/zinc/99/66/23/575996623.db2.gz IGFNELWWVJVYJT-CVEARBPZSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000765192348 575996624 /nfs/dbraw/zinc/99/66/24/575996624.db2.gz IGFNELWWVJVYJT-CVEARBPZSA-N 2 2 289.423 1.217 20 30 CDEDLP 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/nfs/dbraw/zinc/88/15/09/848881509.db2.gz CQSNFZXKLDVVPG-LLVKDONJSA-N 2 2 265.357 1.156 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044748526 849304903 /nfs/dbraw/zinc/30/49/03/849304903.db2.gz FBAZJQAKNQKAFN-CHWSQXEVSA-N 2 2 276.384 1.497 20 30 CDEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930704077 849365420 /nfs/dbraw/zinc/36/54/20/849365420.db2.gz UHIPXESKPKPEAM-UHFFFAOYSA-N 2 2 299.378 1.870 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001036311523 849383123 /nfs/dbraw/zinc/38/31/23/849383123.db2.gz CCKKIIZHXFFOMM-UONOGXRCSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000989258830 849523083 /nfs/dbraw/zinc/52/30/83/849523083.db2.gz KGHGLOWDJOMTHD-CHWSQXEVSA-N 2 2 296.802 1.605 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001038904050 850203877 /nfs/dbraw/zinc/20/38/77/850203877.db2.gz UFEGQGUXYUHBCT-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001038904050 850203880 /nfs/dbraw/zinc/20/38/80/850203880.db2.gz UFEGQGUXYUHBCT-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038904050 850203885 /nfs/dbraw/zinc/20/38/85/850203885.db2.gz UFEGQGUXYUHBCT-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038904050 850203889 /nfs/dbraw/zinc/20/38/89/850203889.db2.gz UFEGQGUXYUHBCT-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259826 850312350 /nfs/dbraw/zinc/31/23/50/850312350.db2.gz WGFQXNFVKOTMKS-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259826 850312363 /nfs/dbraw/zinc/31/23/63/850312363.db2.gz WGFQXNFVKOTMKS-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP N#CCCCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220191888 899495729 /nfs/dbraw/zinc/49/57/29/899495729.db2.gz SDPIXATXMSALKN-CYBMUJFWSA-N 2 2 260.341 1.069 20 30 CDEDLP N#CCc1cc(NCC[NH+]2CCSCC2)cc[nH+]1 ZINC001167838815 901276448 /nfs/dbraw/zinc/27/64/48/901276448.db2.gz HHMXUMJIEAOWDD-UHFFFAOYSA-N 2 2 262.382 1.030 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001089521011 914778649 /nfs/dbraw/zinc/77/86/49/914778649.db2.gz CZFVWRYVQGPURQ-ZDUSSCGKSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001089521011 914778665 /nfs/dbraw/zinc/77/86/65/914778665.db2.gz CZFVWRYVQGPURQ-ZDUSSCGKSA-N 2 2 290.411 1.745 20 30 CDEDLP C#CCC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179175815 915764888 /nfs/dbraw/zinc/76/48/88/915764888.db2.gz CNJXVFYGFQNIKB-UHFFFAOYSA-N 2 2 290.411 1.563 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823949 936402180 /nfs/dbraw/zinc/40/21/80/936402180.db2.gz SEESMKGTLLPWOZ-CYBMUJFWSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823949 936402183 /nfs/dbraw/zinc/40/21/83/936402183.db2.gz SEESMKGTLLPWOZ-CYBMUJFWSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001183584678 918555426 /nfs/dbraw/zinc/55/54/26/918555426.db2.gz QYEVSXUYPSWMFE-GDBMZVCRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185203229 919476639 /nfs/dbraw/zinc/47/66/39/919476639.db2.gz DYOSVCFAHMUGDJ-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078826777 920476410 /nfs/dbraw/zinc/47/64/10/920476410.db2.gz MYEFSIOJTQVBFF-KGLIPLIRSA-N 2 2 288.395 1.476 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967380 922666554 /nfs/dbraw/zinc/66/65/54/922666554.db2.gz OIYGKRITCSJSQS-LBPRGKRZSA-N 2 2 264.373 1.403 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967380 922666563 /nfs/dbraw/zinc/66/65/63/922666563.db2.gz OIYGKRITCSJSQS-LBPRGKRZSA-N 2 2 264.373 1.403 20 30 CDEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449603 924218343 /nfs/dbraw/zinc/21/83/43/924218343.db2.gz VOOYYXKMXIJCTQ-GJZGRUSLSA-N 2 2 290.411 1.771 20 30 CDEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449603 924218353 /nfs/dbraw/zinc/21/83/53/924218353.db2.gz VOOYYXKMXIJCTQ-GJZGRUSLSA-N 2 2 290.411 1.771 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001079990494 924462183 /nfs/dbraw/zinc/46/21/83/924462183.db2.gz FSNXENMLGOLUQU-HZSPNIEDSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001079990494 924462190 /nfs/dbraw/zinc/46/21/90/924462190.db2.gz FSNXENMLGOLUQU-HZSPNIEDSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CCCC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001196689598 924970637 /nfs/dbraw/zinc/97/06/37/924970637.db2.gz FRZGFBZFLJDPFD-UHFFFAOYSA-N 2 2 290.411 1.774 20 30 CDEDLP C=CCCC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001196689598 924970648 /nfs/dbraw/zinc/97/06/48/924970648.db2.gz FRZGFBZFLJDPFD-UHFFFAOYSA-N 2 2 290.411 1.774 20 30 CDEDLP C#CCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198368474 925405491 /nfs/dbraw/zinc/40/54/91/925405491.db2.gz XEYPBEANKJPRDG-UHFFFAOYSA-N 2 2 288.395 1.221 20 30 CDEDLP C#CCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198368474 925405496 /nfs/dbraw/zinc/40/54/96/925405496.db2.gz XEYPBEANKJPRDG-UHFFFAOYSA-N 2 2 288.395 1.221 20 30 CDEDLP C=CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248552 925696463 /nfs/dbraw/zinc/69/64/63/925696463.db2.gz DMSARYYAMSOVRY-UHFFFAOYSA-N 2 2 276.384 1.478 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673189 926274574 /nfs/dbraw/zinc/27/45/74/926274574.db2.gz RPRKWKOYPXWIGW-ZDUSSCGKSA-N 2 2 284.363 1.895 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673189 926274582 /nfs/dbraw/zinc/27/45/82/926274582.db2.gz RPRKWKOYPXWIGW-ZDUSSCGKSA-N 2 2 284.363 1.895 20 30 CDEDLP CC(C)[C@@H](C#N)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169075742 927694587 /nfs/dbraw/zinc/69/45/87/927694587.db2.gz WVOLIAZJVGPXQY-RHSMWYFYSA-N 2 2 298.390 1.998 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111825326 937238506 /nfs/dbraw/zinc/23/85/06/937238506.db2.gz ZQZZWJXYGKBWRE-HOCLYGCPSA-N 2 2 288.395 1.430 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111825326 937238510 /nfs/dbraw/zinc/23/85/10/937238510.db2.gz ZQZZWJXYGKBWRE-HOCLYGCPSA-N 2 2 288.395 1.430 20 30 CDEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112551833 929157505 /nfs/dbraw/zinc/15/75/05/929157505.db2.gz SDNPREGXFZHNNG-BBRMVZONSA-N 2 2 288.395 1.357 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135057594 930019658 /nfs/dbraw/zinc/01/96/58/930019658.db2.gz XVUDPPWQABKKIF-KBPBESRZSA-N 2 2 292.427 1.802 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135775287 930405784 /nfs/dbraw/zinc/40/57/84/930405784.db2.gz XBXNAEXBAPHDRH-WDEREUQCSA-N 2 2 284.791 1.578 20 30 CDEDLP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799763 930428908 /nfs/dbraw/zinc/42/89/08/930428908.db2.gz XNWRTMNGMOLPMO-OLZOCXBDSA-N 2 2 294.399 1.028 20 30 CDEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799169 930429193 /nfs/dbraw/zinc/42/91/93/930429193.db2.gz SHVOYIQZKPAPOI-QWHCGFSZSA-N 2 2 278.400 1.791 20 30 CDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(NC)[nH+]c1 ZINC001171069770 931483727 /nfs/dbraw/zinc/48/37/27/931483727.db2.gz OTFOYPWVRYNXFY-ZDUSSCGKSA-N 2 2 292.383 1.762 20 30 CDEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146713024 932287653 /nfs/dbraw/zinc/28/76/53/932287653.db2.gz HEFZYAZXTMMLNQ-HUUCEWRRSA-N 2 2 290.411 1.560 20 30 CDEDLP CCC(CC)[C@H](CNC(=[NH2+])N(CC)CC)[NH+]1CCOCC1 ZINC000303779571 935043866 /nfs/dbraw/zinc/04/38/66/935043866.db2.gz KQSQHGJMQSKPNY-HNNXBMFYSA-N 2 2 298.475 1.780 20 30 CDEDLP C=C[C@H](O)C[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001253604246 935341300 /nfs/dbraw/zinc/34/13/00/935341300.db2.gz HPYFOYHJQOQIAR-AWEZNQCLSA-N 2 2 261.369 1.435 20 30 CDEDLP N#C[C@@H]1CCCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001160642927 938806374 /nfs/dbraw/zinc/80/63/74/938806374.db2.gz RUULSYYKJXKQDJ-FZMZJTMJSA-N 2 2 272.352 1.021 20 30 CDEDLP N#CCc1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)[nH+]c1 ZINC001163270612 939236986 /nfs/dbraw/zinc/23/69/86/939236986.db2.gz ODOVURLBFOUSNM-ZBFHGGJFSA-N 2 2 286.379 1.718 20 30 CDEDLP Cc1ccnc(C#N)c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164216505 939432226 /nfs/dbraw/zinc/43/22/26/939432226.db2.gz FDQWOLSQHAYENZ-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164350414 939461209 /nfs/dbraw/zinc/46/12/09/939461209.db2.gz CQXTYYQGZQCQAB-UHFFFAOYSA-N 2 2 276.384 1.404 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1Cl ZINC001205688536 939919972 /nfs/dbraw/zinc/91/99/72/939919972.db2.gz JAPZBPRMIYKDFX-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1Cl ZINC001205688536 939919977 /nfs/dbraw/zinc/91/99/77/939919977.db2.gz JAPZBPRMIYKDFX-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP CC1(C[NH3+])C[NH+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001206722832 940081744 /nfs/dbraw/zinc/08/17/44/940081744.db2.gz GYXZZICRHHGREB-UHFFFAOYSA-N 2 2 254.337 1.820 20 30 CDEDLP C#CC[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872406 940105236 /nfs/dbraw/zinc/10/52/36/940105236.db2.gz CFLGVNXLTQBVIW-UHFFFAOYSA-N 2 2 288.395 1.149 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210717271 940707311 /nfs/dbraw/zinc/70/73/11/940707311.db2.gz FBMUXCAJYGJHSD-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210717271 940707313 /nfs/dbraw/zinc/70/73/13/940707313.db2.gz FBMUXCAJYGJHSD-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](CCC#N)C2 ZINC001277938872 944131410 /nfs/dbraw/zinc/13/14/10/944131410.db2.gz GYRHZISJNRZQDW-HNNXBMFYSA-N 2 2 264.417 1.250 20 30 CDEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](CCC#N)C2 ZINC001277938872 944131414 /nfs/dbraw/zinc/13/14/14/944131414.db2.gz GYRHZISJNRZQDW-HNNXBMFYSA-N 2 2 264.417 1.250 20 30 CDEDLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCC#N)C2 ZINC001277943089 944148404 /nfs/dbraw/zinc/14/84/04/944148404.db2.gz MYOHUXHFAQQBAV-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCC#N)C2 ZINC001277943089 944148406 /nfs/dbraw/zinc/14/84/06/944148406.db2.gz MYOHUXHFAQQBAV-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCC#N)C2 ZINC001277943089 944148409 /nfs/dbraw/zinc/14/84/09/944148409.db2.gz MYOHUXHFAQQBAV-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCC#N)C2 ZINC001277943089 944148412 /nfs/dbraw/zinc/14/84/12/944148412.db2.gz MYOHUXHFAQQBAV-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265232979 944292519 /nfs/dbraw/zinc/29/25/19/944292519.db2.gz JTIGZIHCMWNQMC-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265232979 944292526 /nfs/dbraw/zinc/29/25/26/944292526.db2.gz JTIGZIHCMWNQMC-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C[C@H]1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)C[NH2+]1 ZINC001246325132 948106650 /nfs/dbraw/zinc/10/66/50/948106650.db2.gz IAIBFUSAQPTNKP-JSGCOSHPSA-N 2 2 259.353 1.667 20 30 CDEDLP CCCC[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)CC[NH2+]1 ZINC001246590994 948325844 /nfs/dbraw/zinc/32/58/44/948325844.db2.gz GBBNHOPQBDFYHO-HZSPNIEDSA-N 2 2 250.390 1.095 20 30 CDEDLP C=C[C@](C)(O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001252547235 951433342 /nfs/dbraw/zinc/43/33/42/951433342.db2.gz GLHLEBNRORPGCK-HNNXBMFYSA-N 2 2 276.384 1.182 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1CCc2c(C[N@@H+](C)C(C)C)n[nH]c2C1 ZINC001252550706 951438208 /nfs/dbraw/zinc/43/82/08/951438208.db2.gz PQQGSKYPZXKULK-INIZCTEOSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1CCc2c(C[N@H+](C)C(C)C)n[nH]c2C1 ZINC001252550706 951438216 /nfs/dbraw/zinc/43/82/16/951438216.db2.gz PQQGSKYPZXKULK-INIZCTEOSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@](C)(O)C[N@H+]1CCc2c(C[NH+](C)C(C)C)n[nH]c2C1 ZINC001252550706 951438223 /nfs/dbraw/zinc/43/82/23/951438223.db2.gz PQQGSKYPZXKULK-INIZCTEOSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@](C)(O)C[N@@H+]1CCc2c(C[NH+](C)C(C)C)n[nH]c2C1 ZINC001252550706 951438227 /nfs/dbraw/zinc/43/82/27/951438227.db2.gz PQQGSKYPZXKULK-INIZCTEOSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1CCc2c(C[N@@H+](C)C(C)C)[nH]nc2C1 ZINC001252550706 951438234 /nfs/dbraw/zinc/43/82/34/951438234.db2.gz PQQGSKYPZXKULK-INIZCTEOSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1CCc2c(C[N@H+](C)C(C)C)[nH]nc2C1 ZINC001252550706 951438243 /nfs/dbraw/zinc/43/82/43/951438243.db2.gz PQQGSKYPZXKULK-INIZCTEOSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@](C)(O)C[N@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1 ZINC001252550706 951438249 /nfs/dbraw/zinc/43/82/49/951438249.db2.gz PQQGSKYPZXKULK-INIZCTEOSA-N 2 2 292.427 1.545 20 30 CDEDLP C=C[C@](C)(O)C[N@@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1 ZINC001252550706 951438257 /nfs/dbraw/zinc/43/82/57/951438257.db2.gz PQQGSKYPZXKULK-INIZCTEOSA-N 2 2 292.427 1.545 20 30 CDEDLP C=CCCCCCC[C@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001253250456 951826164 /nfs/dbraw/zinc/82/61/64/951826164.db2.gz ZROGPOTWUUSEBJ-HNNXBMFYSA-N 2 2 296.459 1.646 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001445799154 966340259 /nfs/dbraw/zinc/34/02/59/966340259.db2.gz ZGUSZGZFBDKKLV-VXGBXAGGSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001445799154 966340239 /nfs/dbraw/zinc/34/02/39/966340239.db2.gz ZGUSZGZFBDKKLV-VXGBXAGGSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001445799154 966340247 /nfs/dbraw/zinc/34/02/47/966340247.db2.gz ZGUSZGZFBDKKLV-VXGBXAGGSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001448119738 967003038 /nfs/dbraw/zinc/00/30/38/967003038.db2.gz TYPIXEWJIXQEAG-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CCC ZINC001448119738 967003043 /nfs/dbraw/zinc/00/30/43/967003043.db2.gz TYPIXEWJIXQEAG-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001448119738 967003047 /nfs/dbraw/zinc/00/30/47/967003047.db2.gz TYPIXEWJIXQEAG-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001448119738 967003051 /nfs/dbraw/zinc/00/30/51/967003051.db2.gz TYPIXEWJIXQEAG-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001378064268 975225768 /nfs/dbraw/zinc/22/57/68/975225768.db2.gz OAZXLOXLTXCFGC-GFCCVEGCSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001378064268 975225775 /nfs/dbraw/zinc/22/57/75/975225775.db2.gz OAZXLOXLTXCFGC-GFCCVEGCSA-N 2 2 287.835 1.660 20 30 CDEDLP N#CCC[C@H](C#N)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000591725341 342643122 /nfs/dbraw/zinc/64/31/22/342643122.db2.gz QXTDNPWRGJGTMR-CYBMUJFWSA-N 2 2 271.368 1.795 20 30 CDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000595895628 343183321 /nfs/dbraw/zinc/18/33/21/343183321.db2.gz QWRKAFWKHZEQBI-CVEARBPZSA-N 2 2 255.365 1.785 20 30 CDEDLP N#Cc1ccc(CC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000595895628 343183323 /nfs/dbraw/zinc/18/33/23/343183323.db2.gz QWRKAFWKHZEQBI-CVEARBPZSA-N 2 2 255.365 1.785 20 30 CDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H](C)C(C)C ZINC000263252874 362395853 /nfs/dbraw/zinc/39/58/53/362395853.db2.gz POBRWYOQDHUNCH-LBPRGKRZSA-N 2 2 277.416 1.929 20 30 CDEDLP COCC[N@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602530527 344455800 /nfs/dbraw/zinc/45/58/00/344455800.db2.gz RWCXJESDROOAKK-CQSZACIVSA-N 2 2 283.416 1.253 20 30 CDEDLP COCC[N@@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602530527 344455802 /nfs/dbraw/zinc/45/58/02/344455802.db2.gz RWCXJESDROOAKK-CQSZACIVSA-N 2 2 283.416 1.253 20 30 CDEDLP C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000618888255 345419366 /nfs/dbraw/zinc/41/93/66/345419366.db2.gz OXRYPOITFSQCIR-GJZGRUSLSA-N 2 2 265.401 1.580 20 30 CDEDLP C[C@@H](CCC#N)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000618888255 345419368 /nfs/dbraw/zinc/41/93/68/345419368.db2.gz OXRYPOITFSQCIR-GJZGRUSLSA-N 2 2 265.401 1.580 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000491676978 347586419 /nfs/dbraw/zinc/58/64/19/347586419.db2.gz PMKUGSPFKJXPII-OAHLLOKOSA-N 2 2 299.418 1.162 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000491676978 347586421 /nfs/dbraw/zinc/58/64/21/347586421.db2.gz PMKUGSPFKJXPII-OAHLLOKOSA-N 2 2 299.418 1.162 20 30 CDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000602508102 350115765 /nfs/dbraw/zinc/11/57/65/350115765.db2.gz RYRYNMNBUVNPJC-UHFFFAOYSA-N 2 2 256.353 1.670 20 30 CDEDLP CC[C@@H](C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000264085098 362962959 /nfs/dbraw/zinc/96/29/59/362962959.db2.gz IZDQXQKWRBALJK-LLVKDONJSA-N 2 2 286.383 1.779 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000299309875 357019453 /nfs/dbraw/zinc/01/94/53/357019453.db2.gz JJEUXGABBICRBO-QGZVFWFLSA-N 2 2 299.418 1.457 20 30 CDEDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C#N)n1 ZINC000602663437 357713601 /nfs/dbraw/zinc/71/36/01/357713601.db2.gz AIWCKMWMYPHJKF-SWLSCSKDSA-N 2 2 258.369 1.725 20 30 CDEDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C#N)n1 ZINC000602663437 357713603 /nfs/dbraw/zinc/71/36/03/357713603.db2.gz AIWCKMWMYPHJKF-SWLSCSKDSA-N 2 2 258.369 1.725 20 30 CDEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(C#N)n1 ZINC000602663437 357713604 /nfs/dbraw/zinc/71/36/04/357713604.db2.gz AIWCKMWMYPHJKF-SWLSCSKDSA-N 2 2 258.369 1.725 20 30 CDEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602663437 357713606 /nfs/dbraw/zinc/71/36/06/357713606.db2.gz AIWCKMWMYPHJKF-SWLSCSKDSA-N 2 2 258.369 1.725 20 30 CDEDLP CC(C)(CCC#N)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665566 360301471 /nfs/dbraw/zinc/30/14/71/360301471.db2.gz AJWKMAXGYRJNFF-HNNXBMFYSA-N 2 2 279.428 1.970 20 30 CDEDLP CC(C)(CCC#N)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665566 360301474 /nfs/dbraw/zinc/30/14/74/360301474.db2.gz AJWKMAXGYRJNFF-HNNXBMFYSA-N 2 2 279.428 1.970 20 30 CDEDLP C[N@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](CCO)CC1 ZINC000361826784 374054317 /nfs/dbraw/zinc/05/43/17/374054317.db2.gz CJXYWVLYZFIGCC-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](CCO)CC1 ZINC000361826784 374054327 /nfs/dbraw/zinc/05/43/27/374054327.db2.gz CJXYWVLYZFIGCC-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP C[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000328609799 375892347 /nfs/dbraw/zinc/89/23/47/375892347.db2.gz NCVGTRBZYDRIQB-ZDUSSCGKSA-N 2 2 291.399 1.312 20 30 CDEDLP C[N@H+]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000328609799 375892360 /nfs/dbraw/zinc/89/23/60/375892360.db2.gz NCVGTRBZYDRIQB-ZDUSSCGKSA-N 2 2 291.399 1.312 20 30 CDEDLP C#CC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284037514 378133133 /nfs/dbraw/zinc/13/31/33/378133133.db2.gz ISUCZHFQIGIIRX-QGZVFWFLSA-N 2 2 272.392 1.843 20 30 CDEDLP C#CC[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284037514 378133139 /nfs/dbraw/zinc/13/31/39/378133139.db2.gz ISUCZHFQIGIIRX-QGZVFWFLSA-N 2 2 272.392 1.843 20 30 CDEDLP C#CC[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284037514 378133144 /nfs/dbraw/zinc/13/31/44/378133144.db2.gz ISUCZHFQIGIIRX-QGZVFWFLSA-N 2 2 272.392 1.843 20 30 CDEDLP C#CC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284037514 378133150 /nfs/dbraw/zinc/13/31/50/378133150.db2.gz ISUCZHFQIGIIRX-QGZVFWFLSA-N 2 2 272.392 1.843 20 30 CDEDLP CN(C(=O)C(C)(C)C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370817544 390554388 /nfs/dbraw/zinc/55/43/88/390554388.db2.gz CTOQBTCOWWMCFQ-AWEZNQCLSA-N 2 2 292.427 1.163 20 30 CDEDLP CN(C(=O)C(C)(C)C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370817544 390554390 /nfs/dbraw/zinc/55/43/90/390554390.db2.gz CTOQBTCOWWMCFQ-AWEZNQCLSA-N 2 2 292.427 1.163 20 30 CDEDLP C[C@H]1C[NH+]=C(NC[C@@H](c2ccco2)[NH+]2CCCCC2)N1 ZINC000262670113 391810132 /nfs/dbraw/zinc/81/01/32/391810132.db2.gz QOQZMENSRQRIOW-STQMWFEESA-N 2 2 276.384 1.744 20 30 CDEDLP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@H](C)N1)c1ccco1 ZINC000262673047 391810385 /nfs/dbraw/zinc/81/03/85/391810385.db2.gz RXRWAIGPQMJVJD-RYUDHWBXSA-N 2 2 264.373 1.600 20 30 CDEDLP N#Cc1csc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548622823 392498280 /nfs/dbraw/zinc/49/82/80/392498280.db2.gz JQEIBASQXARYAQ-NSHDSACASA-N 2 2 258.350 1.921 20 30 CDEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1cccc(C#N)c1 ZINC000423095561 392958738 /nfs/dbraw/zinc/95/87/38/392958738.db2.gz FLPMHJXJKQUGEL-BBRMVZONSA-N 2 2 273.380 1.457 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000335997876 151184135 /nfs/dbraw/zinc/18/41/35/151184135.db2.gz PSMPMZBLTAWLQR-ZDUSSCGKSA-N 2 2 269.352 1.620 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000335997876 151184139 /nfs/dbraw/zinc/18/41/39/151184139.db2.gz PSMPMZBLTAWLQR-ZDUSSCGKSA-N 2 2 269.352 1.620 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000361859972 159002358 /nfs/dbraw/zinc/00/23/58/159002358.db2.gz IZFZHSDVDLRHIQ-UHFFFAOYSA-N 2 2 299.353 1.753 20 30 CDEDLP N#CC1CC[NH+](CCC[NH+]2CCC(C#N)CC2)CC1 ZINC000005847378 170146653 /nfs/dbraw/zinc/14/66/53/170146653.db2.gz UDRBMONVVHHKBO-UHFFFAOYSA-N 2 2 260.385 1.848 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)nn1 ZINC000657319443 414157598 /nfs/dbraw/zinc/15/75/98/414157598.db2.gz YWVAJHOJZAMBBO-CQSZACIVSA-N 2 2 277.416 1.676 20 30 CDEDLP CN(C(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000273385388 263016344 /nfs/dbraw/zinc/01/63/44/263016344.db2.gz 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ZINC000491040509 332141921 /nfs/dbraw/zinc/14/19/21/332141921.db2.gz UJEWTEJESSSWBX-OWCLPIDISA-N 2 2 291.439 1.178 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000491618818 332245182 /nfs/dbraw/zinc/24/51/82/332245182.db2.gz BHLIKCRMXOGYLQ-MRXNPFEDSA-N 2 2 287.407 1.327 20 30 CDEDLP C=CC(C)(C)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576864343 335257383 /nfs/dbraw/zinc/25/73/83/335257383.db2.gz SISZMHHEUWLPOK-MCIONIFRSA-N 2 2 270.417 1.258 20 30 CDEDLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000269440500 536798202 /nfs/dbraw/zinc/79/82/02/536798202.db2.gz SIFRZEXZQNKHFG-UHFFFAOYSA-N 2 2 279.359 1.755 20 30 CDEDLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000269440500 536798208 /nfs/dbraw/zinc/79/82/08/536798208.db2.gz SIFRZEXZQNKHFG-UHFFFAOYSA-N 2 2 279.359 1.755 20 30 CDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C#N)CCC1 ZINC000329722205 538623611 /nfs/dbraw/zinc/62/36/11/538623611.db2.gz CGMQIYODCHAPNT-UHFFFAOYSA-N 2 2 292.427 1.165 20 30 CDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C#N)CCC1 ZINC000329722205 538623616 /nfs/dbraw/zinc/62/36/16/538623616.db2.gz CGMQIYODCHAPNT-UHFFFAOYSA-N 2 2 292.427 1.165 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000772667794 575734080 /nfs/dbraw/zinc/73/40/80/575734080.db2.gz RTHYONVNEVHAQE-CQSZACIVSA-N 2 2 279.428 1.321 20 30 CDEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969973087 612995223 /nfs/dbraw/zinc/99/52/23/612995223.db2.gz KCSRPLXTQQODGR-GFCCVEGCSA-N 2 2 296.374 1.636 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000969051864 613347981 /nfs/dbraw/zinc/34/79/81/613347981.db2.gz ULMOFZKKIAAXSG-CQSZACIVSA-N 2 2 290.411 1.693 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969974584 613372255 /nfs/dbraw/zinc/37/22/55/613372255.db2.gz CECJLUSDUUIUEL-GXTWGEPZSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969974584 613372256 /nfs/dbraw/zinc/37/22/56/613372256.db2.gz CECJLUSDUUIUEL-GXTWGEPZSA-N 2 2 299.846 1.660 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC000951588428 613653844 /nfs/dbraw/zinc/65/38/44/613653844.db2.gz AQVDYSBUUKLCJA-UHFFFAOYSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969675308 613666476 /nfs/dbraw/zinc/66/64/76/613666476.db2.gz SCIGQYOKRGJPEF-CYBMUJFWSA-N 2 2 298.390 1.879 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969092212 613866349 /nfs/dbraw/zinc/86/63/49/613866349.db2.gz OMWMRIRCPZWLTK-GFCCVEGCSA-N 2 2 270.336 1.553 20 30 CDEDLP C[NH+](C)CCCN(CCC#N)C(=O)CNc1cccc[nH+]1 ZINC000900377710 622956189 /nfs/dbraw/zinc/95/61/89/622956189.db2.gz BRIIITKKUFNORE-UHFFFAOYSA-N 2 2 289.383 1.187 20 30 CDEDLP N#Cc1cc2c(nc1NCC[NH+]1CCC([NH3+])CC1)CCCC2 ZINC000905705968 626933719 /nfs/dbraw/zinc/93/37/19/626933719.db2.gz YGDHQIWPOLHVLI-UHFFFAOYSA-N 2 2 299.422 1.667 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129416299 1162470901 /nfs/dbraw/zinc/47/09/01/1162470901.db2.gz GPUXTYQCVGJINE-LLVKDONJSA-N 2 2 282.775 1.219 20 30 CDEDLP C=CCc1cc(C)c[nH+]c1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170563138 1162924646 /nfs/dbraw/zinc/92/46/46/1162924646.db2.gz KQCABOMBIHFHJR-TZMCWYRMSA-N 2 2 261.369 1.907 20 30 CDEDLP C=CCc1cc(C)c[nH+]c1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170563137 1162925363 /nfs/dbraw/zinc/92/53/63/1162925363.db2.gz KQCABOMBIHFHJR-OCCSQVGLSA-N 2 2 261.369 1.907 20 30 CDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135007 1163579057 /nfs/dbraw/zinc/57/90/57/1163579057.db2.gz JSTXPABNSBPSST-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001752516874 1184875472 /nfs/dbraw/zinc/87/54/72/1184875472.db2.gz IVAOJQQSPNTLQE-CQSZACIVSA-N 2 2 290.411 1.699 20 30 CDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001752516874 1184875478 /nfs/dbraw/zinc/87/54/78/1184875478.db2.gz IVAOJQQSPNTLQE-CQSZACIVSA-N 2 2 290.411 1.699 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001753425044 1185199708 /nfs/dbraw/zinc/19/97/08/1185199708.db2.gz MWSIUFANQJZCEA-GJZGRUSLSA-N 2 2 291.439 1.273 20 30 CDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001753425044 1185199714 /nfs/dbraw/zinc/19/97/14/1185199714.db2.gz MWSIUFANQJZCEA-GJZGRUSLSA-N 2 2 291.439 1.273 20 30 CDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001753425044 1185199717 /nfs/dbraw/zinc/19/97/17/1185199717.db2.gz MWSIUFANQJZCEA-GJZGRUSLSA-N 2 2 291.439 1.273 20 30 CDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753425044 1185199721 /nfs/dbraw/zinc/19/97/21/1185199721.db2.gz MWSIUFANQJZCEA-GJZGRUSLSA-N 2 2 291.439 1.273 20 30 CDEDLP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001753704800 1185308726 /nfs/dbraw/zinc/30/87/26/1185308726.db2.gz KUNWEYJIAPNITI-CQSZACIVSA-N 2 2 292.427 1.755 20 30 CDEDLP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001754053169 1185443231 /nfs/dbraw/zinc/44/32/31/1185443231.db2.gz OAMHPAXWCZIFBY-CQSZACIVSA-N 2 2 290.411 1.460 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001754500430 1185646184 /nfs/dbraw/zinc/64/61/84/1185646184.db2.gz IXHKKCJISAXTEJ-OAHLLOKOSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001754500430 1185646187 /nfs/dbraw/zinc/64/61/87/1185646187.db2.gz IXHKKCJISAXTEJ-OAHLLOKOSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CCC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001754656715 1185693890 /nfs/dbraw/zinc/69/38/90/1185693890.db2.gz UWCANJQOTJNDHK-OAHLLOKOSA-N 2 2 290.411 1.724 20 30 CDEDLP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001755208843 1185855969 /nfs/dbraw/zinc/85/59/69/1185855969.db2.gz BZXMNHYONVYIAR-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001755208843 1185855976 /nfs/dbraw/zinc/85/59/76/1185855976.db2.gz BZXMNHYONVYIAR-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001755700814 1186040550 /nfs/dbraw/zinc/04/05/50/1186040550.db2.gz GXNPSVZNLSUCKT-GDBMZVCRSA-N 2 2 288.395 1.642 20 30 CDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001755700814 1186040553 /nfs/dbraw/zinc/04/05/53/1186040553.db2.gz GXNPSVZNLSUCKT-GDBMZVCRSA-N 2 2 288.395 1.642 20 30 CDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001755700814 1186040562 /nfs/dbraw/zinc/04/05/62/1186040562.db2.gz GXNPSVZNLSUCKT-GDBMZVCRSA-N 2 2 288.395 1.642 20 30 CDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001755700814 1186040568 /nfs/dbraw/zinc/04/05/68/1186040568.db2.gz GXNPSVZNLSUCKT-GDBMZVCRSA-N 2 2 288.395 1.642 20 30 CDEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034136812 705435279 /nfs/dbraw/zinc/43/52/79/705435279.db2.gz LORCWWVNEIMLLS-ZIAGYGMSSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034136812 705435283 /nfs/dbraw/zinc/43/52/83/705435283.db2.gz LORCWWVNEIMLLS-ZIAGYGMSSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034136812 705435284 /nfs/dbraw/zinc/43/52/84/705435284.db2.gz LORCWWVNEIMLLS-ZIAGYGMSSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034136812 705435289 /nfs/dbraw/zinc/43/52/89/705435289.db2.gz LORCWWVNEIMLLS-ZIAGYGMSSA-N 2 2 299.846 1.804 20 30 CDEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992448763 705460401 /nfs/dbraw/zinc/46/04/01/705460401.db2.gz QRMUQSBIJRLSBL-HOCLYGCPSA-N 2 2 286.379 1.007 20 30 CDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992448763 705460408 /nfs/dbraw/zinc/46/04/08/705460408.db2.gz QRMUQSBIJRLSBL-HOCLYGCPSA-N 2 2 286.379 1.007 20 30 CDEDLP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000862548437 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C=CC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001088324926 906899710 /nfs/dbraw/zinc/89/97/10/906899710.db2.gz DAIWZZAYZXKAGW-OAHLLOKOSA-N 2 2 290.411 1.889 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001088324926 906899725 /nfs/dbraw/zinc/89/97/25/906899725.db2.gz DAIWZZAYZXKAGW-OAHLLOKOSA-N 2 2 290.411 1.889 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783326 915976458 /nfs/dbraw/zinc/97/64/58/915976458.db2.gz IZJYIXKAEADVEW-STQMWFEESA-N 2 2 276.384 1.497 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185370005 919579429 /nfs/dbraw/zinc/57/94/29/919579429.db2.gz FKTHNLVTSRYRBV-KBPBESRZSA-N 2 2 290.411 1.603 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cccc(CC#N)c2F)CC1 ZINC001168737281 921898878 /nfs/dbraw/zinc/89/88/78/921898878.db2.gz RLAXCNIBZZJBIJ-UHFFFAOYSA-N 2 2 275.331 1.486 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cccc3[nH]c(C#N)cc32)CC1 ZINC001168737457 921902244 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C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001079879403 924442382 /nfs/dbraw/zinc/44/23/82/924442382.db2.gz QFWYWMLUNZTFPH-OAGGEKHMSA-N 2 2 291.439 1.177 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001079879403 924442385 /nfs/dbraw/zinc/44/23/85/924442385.db2.gz QFWYWMLUNZTFPH-OAGGEKHMSA-N 2 2 291.439 1.177 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001079879403 924442388 /nfs/dbraw/zinc/44/23/88/924442388.db2.gz QFWYWMLUNZTFPH-OAGGEKHMSA-N 2 2 291.439 1.177 20 30 CDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789688 936937264 /nfs/dbraw/zinc/93/72/64/936937264.db2.gz IFOMLIZTNXDLCL-UHFFFAOYSA-N 2 2 276.384 1.403 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100790276 936937576 /nfs/dbraw/zinc/93/75/76/936937576.db2.gz SXKNWLDCIOOYSU-UHFFFAOYSA-N 2 2 262.357 1.013 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085686434 926283574 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C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354342 927428066 /nfs/dbraw/zinc/42/80/66/927428066.db2.gz FNOARELYATXBBY-MRXNPFEDSA-N 2 2 297.443 1.111 20 30 CDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354342 927428075 /nfs/dbraw/zinc/42/80/75/927428075.db2.gz FNOARELYATXBBY-MRXNPFEDSA-N 2 2 297.443 1.111 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092633 937502522 /nfs/dbraw/zinc/50/25/22/937502522.db2.gz MTMBAWHDRZHTFW-ZIAGYGMSSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092633 937502524 /nfs/dbraw/zinc/50/25/24/937502524.db2.gz MTMBAWHDRZHTFW-ZIAGYGMSSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CCCCC[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001274974980 931621713 /nfs/dbraw/zinc/62/17/13/931621713.db2.gz SHXKKUNWZOHROC-UHFFFAOYSA-N 2 2 274.412 1.857 20 30 CDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096350035 936048448 /nfs/dbraw/zinc/04/84/48/936048448.db2.gz RGXDDBWRGSBFTN-SNPRPXQTSA-N 2 2 288.395 1.260 20 30 CDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096350035 936048450 /nfs/dbraw/zinc/04/84/50/936048450.db2.gz RGXDDBWRGSBFTN-SNPRPXQTSA-N 2 2 288.395 1.260 20 30 CDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096434125 936085290 /nfs/dbraw/zinc/08/52/90/936085290.db2.gz YQDVWUSVQMTJDH-SNPRPXQTSA-N 2 2 288.395 1.558 20 30 CDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096434125 936085294 /nfs/dbraw/zinc/08/52/94/936085294.db2.gz YQDVWUSVQMTJDH-SNPRPXQTSA-N 2 2 288.395 1.558 20 30 CDEDLP N#Cc1c(F)ccnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158261020 938601583 /nfs/dbraw/zinc/60/15/83/938601583.db2.gz JPHMRFCMNKSYDY-NSHDSACASA-N 2 2 289.358 1.094 20 30 CDEDLP N#Cc1c(F)ccnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158261020 938601584 /nfs/dbraw/zinc/60/15/84/938601584.db2.gz JPHMRFCMNKSYDY-NSHDSACASA-N 2 2 289.358 1.094 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001158506180 938631306 /nfs/dbraw/zinc/63/13/06/938631306.db2.gz IXTGYUDHKZZLFO-AWEZNQCLSA-N 2 2 291.399 1.072 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158506180 938631308 /nfs/dbraw/zinc/63/13/08/938631308.db2.gz IXTGYUDHKZZLFO-AWEZNQCLSA-N 2 2 291.399 1.072 20 30 CDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653662 938646972 /nfs/dbraw/zinc/64/69/72/938646972.db2.gz IGIIQLDCNZHRKH-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653662 938646974 /nfs/dbraw/zinc/64/69/74/938646974.db2.gz IGIIQLDCNZHRKH-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C[C@H]1CC[C@H](C[NH3+])CN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001164468457 939476738 /nfs/dbraw/zinc/47/67/38/939476738.db2.gz QYAOQFXFNXGYBN-WDEREUQCSA-N 2 2 269.352 1.998 20 30 CDEDLP C[NH+](C)CC1(C[NH+]2CCN(CCC#N)CC2)CCCC1 ZINC001208188832 940305328 /nfs/dbraw/zinc/30/53/28/940305328.db2.gz BFTJAQTVYMCPOJ-UHFFFAOYSA-N 2 2 278.444 1.640 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208300290 940315670 /nfs/dbraw/zinc/31/56/70/940315670.db2.gz XWBNSHBKANNMIS-OAHLLOKOSA-N 2 2 290.411 1.889 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208300290 940315674 /nfs/dbraw/zinc/31/56/74/940315674.db2.gz XWBNSHBKANNMIS-OAHLLOKOSA-N 2 2 290.411 1.889 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208615588 940356232 /nfs/dbraw/zinc/35/62/32/940356232.db2.gz VBKKCCLBUPHCEK-CYBMUJFWSA-N 2 2 279.384 1.107 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615588 940356235 /nfs/dbraw/zinc/35/62/35/940356235.db2.gz VBKKCCLBUPHCEK-CYBMUJFWSA-N 2 2 279.384 1.107 20 30 CDEDLP CC[NH+](CC)C1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000310886661 941312800 /nfs/dbraw/zinc/31/28/00/941312800.db2.gz WOBOHKKIEOIWOH-ZDUSSCGKSA-N 2 2 253.390 1.721 20 30 CDEDLP N#C[C@@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1ccccc1 ZINC001219558593 941355340 /nfs/dbraw/zinc/35/53/40/941355340.db2.gz RWBOVUDBRYEXPH-JKSUJKDBSA-N 2 2 294.358 1.640 20 30 CDEDLP C#CCC[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001223419261 941676176 /nfs/dbraw/zinc/67/61/76/941676176.db2.gz IRWNCAXVAHNRRK-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP C#CCC[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001223419261 941676179 /nfs/dbraw/zinc/67/61/79/941676179.db2.gz IRWNCAXVAHNRRK-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP C=CC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001225277470 941836358 /nfs/dbraw/zinc/83/63/58/941836358.db2.gz ALXANUKUXIPVDY-UHFFFAOYSA-N 2 2 276.384 1.275 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225961127 941933403 /nfs/dbraw/zinc/93/34/03/941933403.db2.gz LJIPYERPKZDLHO-ZIAGYGMSSA-N 2 2 288.395 1.383 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229038665 942410586 /nfs/dbraw/zinc/41/05/86/942410586.db2.gz ZQWQZGGFVZUKIQ-NWANDNLSSA-N 2 2 288.395 1.239 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001229038665 942410587 /nfs/dbraw/zinc/41/05/87/942410587.db2.gz ZQWQZGGFVZUKIQ-NWANDNLSSA-N 2 2 288.395 1.239 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229394018 942462854 /nfs/dbraw/zinc/46/28/54/942462854.db2.gz ZZHOWEYHCSCLJF-CQSZACIVSA-N 2 2 290.411 1.991 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229394017 942463447 /nfs/dbraw/zinc/46/34/47/942463447.db2.gz ZZHOWEYHCSCLJF-AWEZNQCLSA-N 2 2 290.411 1.991 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001316608236 942528470 /nfs/dbraw/zinc/52/84/70/942528470.db2.gz XQKTWMXDNACWOM-AWEZNQCLSA-N 2 2 290.411 1.760 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001316608236 942528476 /nfs/dbraw/zinc/52/84/76/942528476.db2.gz XQKTWMXDNACWOM-AWEZNQCLSA-N 2 2 290.411 1.760 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013471 943715295 /nfs/dbraw/zinc/71/52/95/943715295.db2.gz WMBQFKMIKCQQBR-GFCCVEGCSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013471 943715296 /nfs/dbraw/zinc/71/52/96/943715296.db2.gz WMBQFKMIKCQQBR-GFCCVEGCSA-N 2 2 262.357 1.061 20 30 CDEDLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](CCC#N)C2)C1 ZINC001277939185 944132711 /nfs/dbraw/zinc/13/27/11/944132711.db2.gz OPCXIVWWXCVRPO-MRXNPFEDSA-N 2 2 278.444 1.640 20 30 CDEDLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](CCC#N)C2)C1 ZINC001277939185 944132714 /nfs/dbraw/zinc/13/27/14/944132714.db2.gz OPCXIVWWXCVRPO-MRXNPFEDSA-N 2 2 278.444 1.640 20 30 CDEDLP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246708323 948413013 /nfs/dbraw/zinc/41/30/13/948413013.db2.gz FBUMQVJLZACDEY-LSDHHAIUSA-N 2 2 291.439 1.770 20 30 CDEDLP N#C[C@@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)CCN1 ZINC001246838149 948469089 /nfs/dbraw/zinc/46/90/89/948469089.db2.gz TZPFYALWMXHDPE-WLYUNCDWSA-N 2 2 262.401 1.096 20 30 CDEDLP N#C[C@@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CCN1 ZINC001246838149 948469093 /nfs/dbraw/zinc/46/90/93/948469093.db2.gz TZPFYALWMXHDPE-WLYUNCDWSA-N 2 2 262.401 1.096 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001367019636 957343296 /nfs/dbraw/zinc/34/32/96/957343296.db2.gz OKLGZCYBVZGDEA-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001367019636 957343303 /nfs/dbraw/zinc/34/33/03/957343303.db2.gz OKLGZCYBVZGDEA-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425940334 957646653 /nfs/dbraw/zinc/64/66/53/957646653.db2.gz AGBVNAGBHXARCS-NEPJUHHUSA-N 2 2 296.802 1.579 20 30 CDEDLP COCC#CC[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319680242 958686262 /nfs/dbraw/zinc/68/62/62/958686262.db2.gz JYYHSDOHLYQBIA-OAHLLOKOSA-N 2 2 273.380 1.916 20 30 CDEDLP COCC#CC[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319680242 958686271 /nfs/dbraw/zinc/68/62/71/958686271.db2.gz JYYHSDOHLYQBIA-OAHLLOKOSA-N 2 2 273.380 1.916 20 30 CDEDLP C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001337076930 960918999 /nfs/dbraw/zinc/91/89/99/960918999.db2.gz PQTWPJMAKDVNBC-INIZCTEOSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)CCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001337076930 960919015 /nfs/dbraw/zinc/91/90/15/960919015.db2.gz PQTWPJMAKDVNBC-INIZCTEOSA-N 2 2 293.455 1.970 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001341662782 963502097 /nfs/dbraw/zinc/50/20/97/963502097.db2.gz NMGGQZSBYFVRQW-CQSZACIVSA-N 2 2 290.411 1.562 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440124839 963932652 /nfs/dbraw/zinc/93/26/52/963932652.db2.gz ROVFNUMWPMKUKK-RYUDHWBXSA-N 2 2 296.802 1.531 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001417801839 973394815 /nfs/dbraw/zinc/39/48/15/973394815.db2.gz QARNRVJTZAQZCK-HAQNSBGRSA-N 2 2 296.802 1.498 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001374312692 973886961 /nfs/dbraw/zinc/88/69/61/973886961.db2.gz ARVCEMDBHRLKQT-LBPRGKRZSA-N 2 2 298.818 1.542 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378547906 975388477 /nfs/dbraw/zinc/38/84/77/975388477.db2.gz CGYIWLLARRITRQ-GFCCVEGCSA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400288802 976968910 /nfs/dbraw/zinc/96/89/10/976968910.db2.gz IGDBNIZQSFZRME-CYBMUJFWSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400288802 976968922 /nfs/dbraw/zinc/96/89/22/976968922.db2.gz IGDBNIZQSFZRME-CYBMUJFWSA-N 2 2 299.846 1.661 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001574902834 1171043838 /nfs/dbraw/zinc/04/38/38/1171043838.db2.gz HQCPJRIBMGIZNP-SOUVJXGZSA-N 2 2 290.411 1.976 20 30 CDEDLP C=C(C)C[N@@H+](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000061758766 342057587 /nfs/dbraw/zinc/05/75/87/342057587.db2.gz LQLUIDXEMCERHZ-UHFFFAOYSA-N 2 2 297.443 1.111 20 30 CDEDLP C=C(C)C[N@H+](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000061758766 342057588 /nfs/dbraw/zinc/05/75/88/342057588.db2.gz LQLUIDXEMCERHZ-UHFFFAOYSA-N 2 2 297.443 1.111 20 30 CDEDLP Cc1cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C#N)cn1 ZINC000591820194 342647526 /nfs/dbraw/zinc/64/75/26/342647526.db2.gz IDFMNTRCDFYJDK-HNNXBMFYSA-N 2 2 299.422 1.264 20 30 CDEDLP Cc1cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C#N)cn1 ZINC000591820194 342647527 /nfs/dbraw/zinc/64/75/27/342647527.db2.gz IDFMNTRCDFYJDK-HNNXBMFYSA-N 2 2 299.422 1.264 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000593019661 342758156 /nfs/dbraw/zinc/75/81/56/342758156.db2.gz XBHLNUNJOYKFLP-TZMCWYRMSA-N 2 2 278.400 1.093 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000593019661 342758157 /nfs/dbraw/zinc/75/81/57/342758157.db2.gz XBHLNUNJOYKFLP-TZMCWYRMSA-N 2 2 278.400 1.093 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H](O)C3)CC2)cc1 ZINC000595001322 342995377 /nfs/dbraw/zinc/99/53/77/342995377.db2.gz UWXNMLHXHPUDPJ-QAQDUYKDSA-N 2 2 285.391 1.636 20 30 CDEDLP COCC[N@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602530337 344455693 /nfs/dbraw/zinc/45/56/93/344455693.db2.gz RWCXJESDROOAKK-AWEZNQCLSA-N 2 2 283.416 1.253 20 30 CDEDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602530337 344455695 /nfs/dbraw/zinc/45/56/95/344455695.db2.gz RWCXJESDROOAKK-AWEZNQCLSA-N 2 2 283.416 1.253 20 30 CDEDLP C[C@@H](CCC#N)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000602714105 344553762 /nfs/dbraw/zinc/55/37/62/344553762.db2.gz GDKUTWGSDGXVDW-ZDUSSCGKSA-N 2 2 261.373 1.482 20 30 CDEDLP C[N@@H+]1CCN(CCNC(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000329269693 530071620 /nfs/dbraw/zinc/07/16/20/530071620.db2.gz FGSHBBUDIXUCQW-UHFFFAOYSA-N 2 2 293.415 1.325 20 30 CDEDLP C[N@H+]1CCN(CCNC(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000329269693 530071621 /nfs/dbraw/zinc/07/16/21/530071621.db2.gz FGSHBBUDIXUCQW-UHFFFAOYSA-N 2 2 293.415 1.325 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000397689069 347782415 /nfs/dbraw/zinc/78/24/15/347782415.db2.gz WMEGFCBIRZPIRU-TZMCWYRMSA-N 2 2 251.374 1.067 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000397689069 347782416 /nfs/dbraw/zinc/78/24/16/347782416.db2.gz WMEGFCBIRZPIRU-TZMCWYRMSA-N 2 2 251.374 1.067 20 30 CDEDLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000397689069 347782418 /nfs/dbraw/zinc/78/24/18/347782418.db2.gz WMEGFCBIRZPIRU-TZMCWYRMSA-N 2 2 251.374 1.067 20 30 CDEDLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000397689069 347782419 /nfs/dbraw/zinc/78/24/19/347782419.db2.gz WMEGFCBIRZPIRU-TZMCWYRMSA-N 2 2 251.374 1.067 20 30 CDEDLP CC[C@H](C)NC(NCc1cn2c([nH+]1)CCCC2)=[NH+]C ZINC000263277700 362922958 /nfs/dbraw/zinc/92/29/58/362922958.db2.gz ZCFMBHABKYRWAU-NSHDSACASA-N 2 2 263.389 1.683 20 30 CDEDLP COCCC[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602527037 350118788 /nfs/dbraw/zinc/11/87/88/350118788.db2.gz IJEACWHMEZVNDM-UHFFFAOYSA-N 2 2 288.395 1.544 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264151938 362980613 /nfs/dbraw/zinc/98/06/13/362980613.db2.gz ZKVYYBAOJXOQBZ-JTQLQIEISA-N 2 2 275.356 1.045 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264151094 362981174 /nfs/dbraw/zinc/98/11/74/362981174.db2.gz ZHKZKDGUCUGSSC-UHFFFAOYSA-N 2 2 283.379 1.912 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337284040 360062377 /nfs/dbraw/zinc/06/23/77/360062377.db2.gz YQMXGRCVKBAQPA-CYBMUJFWSA-N 2 2 253.390 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337284040 360062380 /nfs/dbraw/zinc/06/23/80/360062380.db2.gz YQMXGRCVKBAQPA-CYBMUJFWSA-N 2 2 253.390 1.095 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337284051 360062742 /nfs/dbraw/zinc/06/27/42/360062742.db2.gz YQYMHWSTNXUYHE-MRXNPFEDSA-N 2 2 294.443 1.459 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337284051 360062743 /nfs/dbraw/zinc/06/27/43/360062743.db2.gz YQYMHWSTNXUYHE-MRXNPFEDSA-N 2 2 294.443 1.459 20 30 CDEDLP C=CCOc1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000635001302 360633456 /nfs/dbraw/zinc/63/34/56/360633456.db2.gz NKMWXZKBNDUCTB-UHFFFAOYSA-N 2 2 290.407 1.798 20 30 CDEDLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(C#N)c2)CC1 ZINC000264338035 365136410 /nfs/dbraw/zinc/13/64/10/365136410.db2.gz BKYNCDBOSOWSQY-UHFFFAOYSA-N 2 2 273.380 1.447 20 30 CDEDLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(C#N)c2)CC1 ZINC000264338035 365136416 /nfs/dbraw/zinc/13/64/16/365136416.db2.gz BKYNCDBOSOWSQY-UHFFFAOYSA-N 2 2 273.380 1.447 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000130390281 368821714 /nfs/dbraw/zinc/82/17/14/368821714.db2.gz AWKNANKEJRHDFE-CQSZACIVSA-N 2 2 291.399 1.213 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130390281 368821716 /nfs/dbraw/zinc/82/17/16/368821716.db2.gz AWKNANKEJRHDFE-CQSZACIVSA-N 2 2 291.399 1.213 20 30 CDEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000247489768 377128127 /nfs/dbraw/zinc/12/81/27/377128127.db2.gz KWBMSADNUVVETH-HUUCEWRRSA-N 2 2 294.443 1.411 20 30 CDEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000247489768 377128135 /nfs/dbraw/zinc/12/81/35/377128135.db2.gz KWBMSADNUVVETH-HUUCEWRRSA-N 2 2 294.443 1.411 20 30 CDEDLP C=CCOCCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000571819043 377546229 /nfs/dbraw/zinc/54/62/29/377546229.db2.gz ZDYWTHRSXODIOF-HNNXBMFYSA-N 2 2 282.428 1.764 20 30 CDEDLP C=CCOCCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000571819043 377546234 /nfs/dbraw/zinc/54/62/34/377546234.db2.gz ZDYWTHRSXODIOF-HNNXBMFYSA-N 2 2 282.428 1.764 20 30 CDEDLP C=C[C@H](CO)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000662168361 412917724 /nfs/dbraw/zinc/91/77/24/412917724.db2.gz CQZKNYHGYOTCIK-MRXNPFEDSA-N 2 2 276.380 1.155 20 30 CDEDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000289431655 197344481 /nfs/dbraw/zinc/34/44/81/197344481.db2.gz XRKOZBPYZMWDMR-BLLLJJGKSA-N 2 2 273.380 1.664 20 30 CDEDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000289431655 197344482 /nfs/dbraw/zinc/34/44/82/197344482.db2.gz XRKOZBPYZMWDMR-BLLLJJGKSA-N 2 2 273.380 1.664 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150786823 390916394 /nfs/dbraw/zinc/91/63/94/390916394.db2.gz IIXQCXXFRZEULJ-HNNXBMFYSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150786823 390916395 /nfs/dbraw/zinc/91/63/95/390916395.db2.gz IIXQCXXFRZEULJ-HNNXBMFYSA-N 2 2 292.427 1.166 20 30 CDEDLP Cc1[nH+]ccn1CCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000328989227 391402956 /nfs/dbraw/zinc/40/29/56/391402956.db2.gz RTSDSLGGQZVHDM-NSHDSACASA-N 2 2 282.413 1.585 20 30 CDEDLP CCN/C(=[NH+]/CC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261966617 391743613 /nfs/dbraw/zinc/74/36/13/391743613.db2.gz LQAJBDWULYILQW-STQMWFEESA-N 2 2 263.389 1.751 20 30 CDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(C#N)n(C)c2)C[C@H](C)O1 ZINC000190715954 130138673 /nfs/dbraw/zinc/13/86/73/130138673.db2.gz DCIBBIWYOSHZGK-OKILXGFUSA-N 2 2 290.411 1.486 20 30 CDEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(C#N)n(C)c2)C[C@H](C)O1 ZINC000190715954 130138675 /nfs/dbraw/zinc/13/86/75/130138675.db2.gz DCIBBIWYOSHZGK-OKILXGFUSA-N 2 2 290.411 1.486 20 30 CDEDLP C#CCNC(NCCn1c(C)[nH+]c2ccccc21)=[NH+]C ZINC000262634150 391803653 /nfs/dbraw/zinc/80/36/53/391803653.db2.gz MDHBKTBYYUMARM-UHFFFAOYSA-N 2 2 269.352 1.143 20 30 CDEDLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(C#N)c(F)c2)n1C ZINC000404586554 392757741 /nfs/dbraw/zinc/75/77/41/392757741.db2.gz MTAKKTZIZOOPNY-UHFFFAOYSA-N 2 2 287.342 1.787 20 30 CDEDLP C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000330187651 228059778 /nfs/dbraw/zinc/05/97/78/228059778.db2.gz KOIKNNDYZWPQHY-HIFRSBDPSA-N 2 2 291.399 1.213 20 30 CDEDLP C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000330187651 228059780 /nfs/dbraw/zinc/05/97/80/228059780.db2.gz KOIKNNDYZWPQHY-HIFRSBDPSA-N 2 2 291.399 1.213 20 30 CDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000330187651 228059782 /nfs/dbraw/zinc/05/97/82/228059782.db2.gz KOIKNNDYZWPQHY-HIFRSBDPSA-N 2 2 291.399 1.213 20 30 CDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000330187651 228059784 /nfs/dbraw/zinc/05/97/84/228059784.db2.gz KOIKNNDYZWPQHY-HIFRSBDPSA-N 2 2 291.399 1.213 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@@H]2CCCO2)cc1 ZINC000276042797 263034743 /nfs/dbraw/zinc/03/47/43/263034743.db2.gz GUAXFTGIVDJNFX-HNNXBMFYSA-N 2 2 291.395 1.954 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000563365265 328059204 /nfs/dbraw/zinc/05/92/04/328059204.db2.gz PWCAWSNBCLKGLE-KBPBESRZSA-N 2 2 265.401 1.864 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000563365265 328059206 /nfs/dbraw/zinc/05/92/06/328059206.db2.gz PWCAWSNBCLKGLE-KBPBESRZSA-N 2 2 265.401 1.864 20 30 CDEDLP CC[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)NC(C)C ZINC000172066390 329080638 /nfs/dbraw/zinc/08/06/38/329080638.db2.gz ZQUKRMSOZLIAON-UHFFFAOYSA-N 2 2 270.421 1.061 20 30 CDEDLP CC[NH+]=C(NCC[N@H+]1CCOCC1(C)C)NC(C)C ZINC000172066390 329080639 /nfs/dbraw/zinc/08/06/39/329080639.db2.gz ZQUKRMSOZLIAON-UHFFFAOYSA-N 2 2 270.421 1.061 20 30 CDEDLP CC[C@@H](C)[NH2+][C@H](CNC1=[NH+]CCCN1C)c1ccco1 ZINC000263053987 330041007 /nfs/dbraw/zinc/04/10/07/330041007.db2.gz DTPHNEUVXUTKOZ-CHWSQXEVSA-N 2 2 278.400 1.990 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422861796 330158167 /nfs/dbraw/zinc/15/81/67/330158167.db2.gz OZRPNIFITHOFSS-HUUCEWRRSA-N 3 2 251.418 1.886 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423157174 330173408 /nfs/dbraw/zinc/17/34/08/330173408.db2.gz UTCXROLICMQMAY-SYQHCUMBSA-N 2 2 254.374 1.077 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000453346920 331119966 /nfs/dbraw/zinc/11/99/66/331119966.db2.gz KKNCMOXZJDQFRU-ATGSNQNLSA-N 2 2 250.386 1.792 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000453346920 331119967 /nfs/dbraw/zinc/11/99/67/331119967.db2.gz KKNCMOXZJDQFRU-ATGSNQNLSA-N 2 2 250.386 1.792 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C23CCC([NH3+])(CC2)CC3)CC1 ZINC000404378267 1159190628 /nfs/dbraw/zinc/19/06/28/1159190628.db2.gz XDJJDIWMKRSGCL-UHFFFAOYSA-N 2 2 277.412 1.368 20 30 CDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)C(C)(C)C ZINC000491727088 332310341 /nfs/dbraw/zinc/31/03/41/332310341.db2.gz LAHLMFCQKLMWMG-CQSZACIVSA-N 2 2 252.402 1.735 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000491765880 332334144 /nfs/dbraw/zinc/33/41/44/332334144.db2.gz GEFMDQHPPIYHGQ-DOTOQJQBSA-N 2 2 299.418 1.236 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000491765880 332334146 /nfs/dbraw/zinc/33/41/46/332334146.db2.gz GEFMDQHPPIYHGQ-DOTOQJQBSA-N 2 2 299.418 1.236 20 30 CDEDLP 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C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033365642 712436826 /nfs/dbraw/zinc/43/68/26/712436826.db2.gz JFQNXBAONNFWTM-CQSZACIVSA-N 2 2 291.395 1.674 20 30 CDEDLP CC#CCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254463 712463900 /nfs/dbraw/zinc/46/39/00/712463900.db2.gz YLNWMQLATGXHEC-UHFFFAOYSA-N 2 2 277.412 1.206 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000791061340 712471131 /nfs/dbraw/zinc/47/11/31/712471131.db2.gz OEMBSKYYEJALBL-LSDHHAIUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000791061340 712471133 /nfs/dbraw/zinc/47/11/33/712471133.db2.gz OEMBSKYYEJALBL-LSDHHAIUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000791061340 712471137 /nfs/dbraw/zinc/47/11/37/712471137.db2.gz OEMBSKYYEJALBL-LSDHHAIUSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC000996037070 712473939 /nfs/dbraw/zinc/47/39/39/712473939.db2.gz BVLKSJQASBAJNS-AWEZNQCLSA-N 2 2 298.390 1.961 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC000986356637 712489122 /nfs/dbraw/zinc/48/91/22/712489122.db2.gz SQGHOSZDPWVDHZ-YPMHNXCESA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC000986356637 712489124 /nfs/dbraw/zinc/48/91/24/712489124.db2.gz SQGHOSZDPWVDHZ-YPMHNXCESA-N 2 2 262.357 1.107 20 30 CDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072081145 712524482 /nfs/dbraw/zinc/52/44/82/712524482.db2.gz HHIPFQFUDGZMFA-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072081145 712524494 /nfs/dbraw/zinc/52/44/94/712524494.db2.gz HHIPFQFUDGZMFA-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP N#CCCNC(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568732 712740881 /nfs/dbraw/zinc/74/08/81/712740881.db2.gz DWMUNLHUAKOUEF-HNNXBMFYSA-N 2 2 297.362 1.244 20 30 CDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175460297 913636777 /nfs/dbraw/zinc/63/67/77/913636777.db2.gz GIKKANCWQFARTN-CYBMUJFWSA-N 2 2 276.384 1.240 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175504056 913641833 /nfs/dbraw/zinc/64/18/33/913641833.db2.gz XLXXJBKBGXVTLW-LSDHHAIUSA-N 2 2 290.411 1.732 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161315139 895725396 /nfs/dbraw/zinc/72/53/96/895725396.db2.gz NUFGEBIALRMIBY-AWEZNQCLSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994512241 914579383 /nfs/dbraw/zinc/57/93/83/914579383.db2.gz XBIXPHXLRJRAPG-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994512241 914579385 /nfs/dbraw/zinc/57/93/85/914579385.db2.gz XBIXPHXLRJRAPG-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001482142723 902757905 /nfs/dbraw/zinc/75/79/05/902757905.db2.gz AZPNMACUEYFJLL-VIFPVBQESA-N 2 2 270.764 1.047 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687246 903658098 /nfs/dbraw/zinc/65/80/98/903658098.db2.gz IVCHFTVUQNWKBR-AWEZNQCLSA-N 2 2 296.374 1.409 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687246 903658106 /nfs/dbraw/zinc/65/81/06/903658106.db2.gz IVCHFTVUQNWKBR-AWEZNQCLSA-N 2 2 296.374 1.409 20 30 CDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001126436816 904272197 /nfs/dbraw/zinc/27/21/97/904272197.db2.gz NKSMJFGOPDWEQL-UHFFFAOYSA-N 2 2 297.362 1.120 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989491424 908910223 /nfs/dbraw/zinc/91/02/23/908910223.db2.gz GKCPORUCFUACNC-WCQYABFASA-N 2 2 262.357 1.107 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CCCC2)C1 ZINC001030462933 911869221 /nfs/dbraw/zinc/86/92/21/911869221.db2.gz ADQYBIBBTSKZFG-INIZCTEOSA-N 2 2 289.423 1.075 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CCCC2)C1 ZINC001030462933 911869239 /nfs/dbraw/zinc/86/92/39/911869239.db2.gz ADQYBIBBTSKZFG-INIZCTEOSA-N 2 2 289.423 1.075 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001000339129 936528113 /nfs/dbraw/zinc/52/81/13/936528113.db2.gz VQNAJCQWTXZVME-ZIAGYGMSSA-N 2 2 274.368 1.048 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1 ZINC001032437880 919132166 /nfs/dbraw/zinc/13/21/66/919132166.db2.gz VIDAVRYGALOBSY-GJZGRUSLSA-N 2 2 288.395 1.594 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1 ZINC001032437880 919132178 /nfs/dbraw/zinc/13/21/78/919132178.db2.gz VIDAVRYGALOBSY-GJZGRUSLSA-N 2 2 288.395 1.594 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]c[nH]1 ZINC001032437880 919132187 /nfs/dbraw/zinc/13/21/87/919132187.db2.gz VIDAVRYGALOBSY-GJZGRUSLSA-N 2 2 288.395 1.594 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]c[nH]1 ZINC001032437880 919132197 /nfs/dbraw/zinc/13/21/97/919132197.db2.gz VIDAVRYGALOBSY-GJZGRUSLSA-N 2 2 288.395 1.594 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001032433867 919138371 /nfs/dbraw/zinc/13/83/71/919138371.db2.gz UCDYPDOETFRIPT-SOUVJXGZSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001032433867 919138379 /nfs/dbraw/zinc/13/83/79/919138379.db2.gz UCDYPDOETFRIPT-SOUVJXGZSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001032433867 919138386 /nfs/dbraw/zinc/13/83/86/919138386.db2.gz UCDYPDOETFRIPT-SOUVJXGZSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001032433867 919138394 /nfs/dbraw/zinc/13/83/94/919138394.db2.gz UCDYPDOETFRIPT-SOUVJXGZSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710140 919237741 /nfs/dbraw/zinc/23/77/41/919237741.db2.gz RYWDMVRVCGPXBB-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001032664489 919697649 /nfs/dbraw/zinc/69/76/49/919697649.db2.gz DYPWEFFJPWFKAS-PMPSAXMXSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001032664489 919697655 /nfs/dbraw/zinc/69/76/55/919697655.db2.gz DYPWEFFJPWFKAS-PMPSAXMXSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071994130 936696329 /nfs/dbraw/zinc/69/63/29/936696329.db2.gz CUCQJUHRWLYRKU-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071994130 936696330 /nfs/dbraw/zinc/69/63/30/936696330.db2.gz CUCQJUHRWLYRKU-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632032 922671012 /nfs/dbraw/zinc/67/10/12/922671012.db2.gz AZWHLVLJHOVVGE-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632032 922671017 /nfs/dbraw/zinc/67/10/17/922671017.db2.gz AZWHLVLJHOVVGE-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192579349 923154814 /nfs/dbraw/zinc/15/48/14/923154814.db2.gz ZGPLWSCFTCHPQG-LSDHHAIUSA-N 2 2 288.395 1.390 20 30 CDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047666 923405296 /nfs/dbraw/zinc/40/52/96/923405296.db2.gz IRSXQDXPSSUBTD-LBPRGKRZSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047666 923405306 /nfs/dbraw/zinc/40/53/06/923405306.db2.gz IRSXQDXPSSUBTD-LBPRGKRZSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085680430 926280151 /nfs/dbraw/zinc/28/01/51/926280151.db2.gz GQKPGFBJWZRGPY-ZFWWWQNUSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085680430 926280156 /nfs/dbraw/zinc/28/01/56/926280156.db2.gz GQKPGFBJWZRGPY-ZFWWWQNUSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086121377 926728685 /nfs/dbraw/zinc/72/86/85/926728685.db2.gz PJZWZWPUCJPRQN-BJHJDKERSA-N 2 2 284.363 1.847 20 30 CDEDLP N#Cc1c2ccccc2cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169070844 927686193 /nfs/dbraw/zinc/68/61/93/927686193.db2.gz DKBABOHVXORUOC-GFCCVEGCSA-N 2 2 293.330 1.154 20 30 CDEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667003 930453290 /nfs/dbraw/zinc/45/32/90/930453290.db2.gz DZNFMPRZKNFLPZ-ZDUSSCGKSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032248 930610406 /nfs/dbraw/zinc/61/04/06/930610406.db2.gz YAYDOUOJKUPZEE-RYUDHWBXSA-N 2 2 278.400 1.710 20 30 CDEDLP C#C[C@@H](CC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000821567754 931067308 /nfs/dbraw/zinc/06/73/08/931067308.db2.gz WSIFMWVOUZTACK-AWEZNQCLSA-N 2 2 294.443 1.066 20 30 CDEDLP C#C[C@@H](CC)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000821567754 931067315 /nfs/dbraw/zinc/06/73/15/931067315.db2.gz WSIFMWVOUZTACK-AWEZNQCLSA-N 2 2 294.443 1.066 20 30 CDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528795 937554809 /nfs/dbraw/zinc/55/48/09/937554809.db2.gz JIJHUUKDIZRIFO-CQSZACIVSA-N 2 2 276.384 1.123 20 30 CDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528795 937554812 /nfs/dbraw/zinc/55/48/12/937554812.db2.gz JIJHUUKDIZRIFO-CQSZACIVSA-N 2 2 276.384 1.123 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707030 932285797 /nfs/dbraw/zinc/28/57/97/932285797.db2.gz MLERNTQFSSIHFG-KGLIPLIRSA-N 2 2 278.400 1.722 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751000 937670495 /nfs/dbraw/zinc/67/04/95/937670495.db2.gz DAWPDIGBRYWORU-UONOGXRCSA-N 2 2 292.427 1.991 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751000 937670497 /nfs/dbraw/zinc/67/04/97/937670497.db2.gz DAWPDIGBRYWORU-UONOGXRCSA-N 2 2 292.427 1.991 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751000 937670499 /nfs/dbraw/zinc/67/04/99/937670499.db2.gz DAWPDIGBRYWORU-UONOGXRCSA-N 2 2 292.427 1.991 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751000 937670500 /nfs/dbraw/zinc/67/05/00/937670500.db2.gz DAWPDIGBRYWORU-UONOGXRCSA-N 2 2 292.427 1.991 20 30 CDEDLP C#CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC001120071564 937778508 /nfs/dbraw/zinc/77/85/08/937778508.db2.gz VKTGSGAGXDPEJJ-UHFFFAOYSA-N 2 2 287.411 1.072 20 30 CDEDLP C#CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC001120071564 937778510 /nfs/dbraw/zinc/77/85/10/937778510.db2.gz VKTGSGAGXDPEJJ-UHFFFAOYSA-N 2 2 287.411 1.072 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009210816 935421392 /nfs/dbraw/zinc/42/13/92/935421392.db2.gz YJQLDQBVKBIVJW-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009210816 935421394 /nfs/dbraw/zinc/42/13/94/935421394.db2.gz YJQLDQBVKBIVJW-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041712280 935802783 /nfs/dbraw/zinc/80/27/83/935802783.db2.gz MMZNLAIQGYLFFB-INIZCTEOSA-N 2 2 288.395 1.453 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041712280 935802785 /nfs/dbraw/zinc/80/27/85/935802785.db2.gz MMZNLAIQGYLFFB-INIZCTEOSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049087670 936108922 /nfs/dbraw/zinc/10/89/22/936108922.db2.gz WSCYYBNHZPFTIV-SOUVJXGZSA-N 2 2 288.395 1.410 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049087670 936108924 /nfs/dbraw/zinc/10/89/24/936108924.db2.gz WSCYYBNHZPFTIV-SOUVJXGZSA-N 2 2 288.395 1.410 20 30 CDEDLP N#C[C@H]1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001157055687 938449389 /nfs/dbraw/zinc/44/93/89/938449389.db2.gz PYELNRJOJBLBNC-HDJSIYSDSA-N 2 2 285.395 1.985 20 30 CDEDLP Cc1cc(C#N)cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158271012 938602512 /nfs/dbraw/zinc/60/25/12/938602512.db2.gz XOWZBRWJSHFCBO-CQSZACIVSA-N 2 2 285.395 1.264 20 30 CDEDLP Cc1cc(C#N)cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158271012 938602513 /nfs/dbraw/zinc/60/25/13/938602513.db2.gz XOWZBRWJSHFCBO-CQSZACIVSA-N 2 2 285.395 1.264 20 30 CDEDLP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533610 938632834 /nfs/dbraw/zinc/63/28/34/938632834.db2.gz AQXZBOPQHMHGNG-OAHLLOKOSA-N 2 2 288.395 1.288 20 30 CDEDLP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533610 938632836 /nfs/dbraw/zinc/63/28/36/938632836.db2.gz AQXZBOPQHMHGNG-OAHLLOKOSA-N 2 2 288.395 1.288 20 30 CDEDLP C#C[C@@](C)(CC)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001158742974 938658482 /nfs/dbraw/zinc/65/84/82/938658482.db2.gz OIAZNCVCWRBTPE-HNNXBMFYSA-N 2 2 258.369 1.705 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161316934 938887300 /nfs/dbraw/zinc/88/73/00/938887300.db2.gz ZOECJZTZQQHSKV-CYBMUJFWSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[N@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161553490 938911947 /nfs/dbraw/zinc/91/19/47/938911947.db2.gz ASQDIXCNJZSNCR-UHFFFAOYSA-N 2 2 274.368 1.277 20 30 CDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161553490 938911948 /nfs/dbraw/zinc/91/19/48/938911948.db2.gz ASQDIXCNJZSNCR-UHFFFAOYSA-N 2 2 274.368 1.277 20 30 CDEDLP N#CC1(c2cc[nH+]c(NCC[C@@H]3CCOC34C[NH2+]C4)c2)CC1 ZINC001163087611 939195911 /nfs/dbraw/zinc/19/59/11/939195911.db2.gz PVBGJDYRKINWOZ-CYBMUJFWSA-N 2 2 298.390 1.817 20 30 CDEDLP Cc1c(C#N)ccnc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164207487 939429900 /nfs/dbraw/zinc/42/99/00/939429900.db2.gz YFPOLUIIVKZQPA-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299165 940316251 /nfs/dbraw/zinc/31/62/51/940316251.db2.gz LAMJWCLQOMQXGG-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299165 940316254 /nfs/dbraw/zinc/31/62/54/940316254.db2.gz LAMJWCLQOMQXGG-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001258724255 945391556 /nfs/dbraw/zinc/39/15/56/945391556.db2.gz RSSMDELOLAMHCI-AVGNSLFASA-N 2 2 283.416 1.877 20 30 CDEDLP C=CCCCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209427382 940589250 /nfs/dbraw/zinc/58/92/50/940589250.db2.gz PAFIQMVPELZCFL-UHFFFAOYSA-N 2 2 295.471 1.683 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210052794 940660159 /nfs/dbraw/zinc/66/01/59/940660159.db2.gz QISHKNCDRCJMEG-ZIAGYGMSSA-N 2 2 288.395 1.192 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210052794 940660160 /nfs/dbraw/zinc/66/01/60/940660160.db2.gz QISHKNCDRCJMEG-ZIAGYGMSSA-N 2 2 288.395 1.192 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1F ZINC000404621842 940966255 /nfs/dbraw/zinc/96/62/55/940966255.db2.gz XZLVUJNDVRCHBD-XNHWPECASA-N 2 2 271.339 1.783 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235986991 944351620 /nfs/dbraw/zinc/35/16/20/944351620.db2.gz DAOCIHDRVUZLTD-DOTOQJQBSA-N 2 2 284.407 1.960 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235986991 944351625 /nfs/dbraw/zinc/35/16/25/944351625.db2.gz DAOCIHDRVUZLTD-DOTOQJQBSA-N 2 2 284.407 1.960 20 30 CDEDLP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001262576455 946729335 /nfs/dbraw/zinc/72/93/35/946729335.db2.gz PWYJXPFQGYEMIV-STQMWFEESA-N 2 2 255.406 1.463 20 30 CDEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001246029210 947909027 /nfs/dbraw/zinc/90/90/27/947909027.db2.gz PXENARXRRMBAMO-DLBZAZTESA-N 2 2 297.487 1.687 20 30 CDEDLP CCCCCCCC[C@@H](O)C[N@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001246029210 947909033 /nfs/dbraw/zinc/90/90/33/947909033.db2.gz PXENARXRRMBAMO-DLBZAZTESA-N 2 2 297.487 1.687 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246887409 948503020 /nfs/dbraw/zinc/50/30/20/948503020.db2.gz NJZLSZCMKVCJNQ-ULQDDVLXSA-N 2 2 284.407 1.147 20 30 CDEDLP C=C[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252551094 951436471 /nfs/dbraw/zinc/43/64/71/951436471.db2.gz SGKDOIYWKOFWCM-IXDOHACOSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252551094 951436482 /nfs/dbraw/zinc/43/64/82/951436482.db2.gz SGKDOIYWKOFWCM-IXDOHACOSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252551094 951436491 /nfs/dbraw/zinc/43/64/91/951436491.db2.gz SGKDOIYWKOFWCM-IXDOHACOSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252551094 951436497 /nfs/dbraw/zinc/43/64/97/951436497.db2.gz SGKDOIYWKOFWCM-IXDOHACOSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252551092 951438143 /nfs/dbraw/zinc/43/81/43/951438143.db2.gz SGKDOIYWKOFWCM-BBWFWOEESA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252551092 951438149 /nfs/dbraw/zinc/43/81/49/951438149.db2.gz SGKDOIYWKOFWCM-BBWFWOEESA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252551092 951438154 /nfs/dbraw/zinc/43/81/54/951438154.db2.gz SGKDOIYWKOFWCM-BBWFWOEESA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252551092 951438162 /nfs/dbraw/zinc/43/81/62/951438162.db2.gz SGKDOIYWKOFWCM-BBWFWOEESA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@H](O)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001253587710 951980418 /nfs/dbraw/zinc/98/04/18/951980418.db2.gz OIQQGTSHMADLOM-HNNXBMFYSA-N 2 2 252.402 1.872 20 30 CDEDLP C=C[C@H](O)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001253587710 951980422 /nfs/dbraw/zinc/98/04/22/951980422.db2.gz OIQQGTSHMADLOM-HNNXBMFYSA-N 2 2 252.402 1.872 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001419421173 961684531 /nfs/dbraw/zinc/68/45/31/961684531.db2.gz FAWREOXWQPOFCD-LLVKDONJSA-N 2 2 282.775 1.285 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001445671476 966275729 /nfs/dbraw/zinc/27/57/29/966275729.db2.gz ZULPMVXTIAJQNP-LBPRGKRZSA-N 2 2 284.791 1.510 20 30 CDEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)NC1CC1 ZINC000848981232 969377597 /nfs/dbraw/zinc/37/75/97/969377597.db2.gz HWLVKEPPNNAMLB-UHFFFAOYSA-N 2 2 294.443 1.349 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001401147799 975483411 /nfs/dbraw/zinc/48/34/11/975483411.db2.gz JFJUCBYMHOGBFY-SECBINFHSA-N 2 2 284.791 1.355 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001397610260 975653188 /nfs/dbraw/zinc/65/31/88/975653188.db2.gz PQVUZGGYXSPNOV-TXEJJXNPSA-N 2 2 296.802 1.200 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001393114909 977709671 /nfs/dbraw/zinc/70/96/71/977709671.db2.gz XRFAUZMQZXBITM-OAHLLOKOSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001393114909 977709680 /nfs/dbraw/zinc/70/96/80/977709680.db2.gz XRFAUZMQZXBITM-OAHLLOKOSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001393114909 977709686 /nfs/dbraw/zinc/70/96/86/977709686.db2.gz XRFAUZMQZXBITM-OAHLLOKOSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001393114909 977709694 /nfs/dbraw/zinc/70/96/94/977709694.db2.gz XRFAUZMQZXBITM-OAHLLOKOSA-N 2 2 299.846 1.804 20 30 CDEDLP C=CC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195617 1163190471 /nfs/dbraw/zinc/19/04/71/1163190471.db2.gz RJTOFJZGQIETCS-UONOGXRCSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195617 1163190476 /nfs/dbraw/zinc/19/04/76/1163190476.db2.gz RJTOFJZGQIETCS-UONOGXRCSA-N 2 2 290.411 1.508 20 30 CDEDLP N#Cc1ccccc1OCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000618903293 349548781 /nfs/dbraw/zinc/54/87/81/349548781.db2.gz VGDKOHVOSMDTNY-UHFFFAOYSA-N 2 2 297.362 1.482 20 30 CDEDLP C[NH+](C)C1(CNC[C@H](O)C[N@H+](C)CCC#N)CCCCC1 ZINC000591241571 342622377 /nfs/dbraw/zinc/62/23/77/342622377.db2.gz ISEWPKRKCUYHHI-HNNXBMFYSA-N 2 2 296.459 1.047 20 30 CDEDLP C[NH+](C)C1(CNC[C@H](O)C[N@@H+](C)CCC#N)CCCCC1 ZINC000591241571 342622378 /nfs/dbraw/zinc/62/23/78/342622378.db2.gz ISEWPKRKCUYHHI-HNNXBMFYSA-N 2 2 296.459 1.047 20 30 CDEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000591582520 342638210 /nfs/dbraw/zinc/63/82/10/342638210.db2.gz ZLBLSFSVAXJNFO-GDBMZVCRSA-N 2 2 271.364 1.514 20 30 CDEDLP C#CCCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000090398694 342231620 /nfs/dbraw/zinc/23/16/20/342231620.db2.gz XYVGGBVMDFKFOP-UHFFFAOYSA-N 2 2 293.455 1.176 20 30 CDEDLP C#CCCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000090398694 342231621 /nfs/dbraw/zinc/23/16/21/342231621.db2.gz XYVGGBVMDFKFOP-UHFFFAOYSA-N 2 2 293.455 1.176 20 30 CDEDLP COCC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000265273582 362059114 /nfs/dbraw/zinc/05/91/14/362059114.db2.gz VCULWLCPZCIAFC-UHFFFAOYSA-N 2 2 275.396 1.958 20 30 CDEDLP COCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000265273582 362059118 /nfs/dbraw/zinc/05/91/18/362059118.db2.gz VCULWLCPZCIAFC-UHFFFAOYSA-N 2 2 275.396 1.958 20 30 CDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000595889760 343181566 /nfs/dbraw/zinc/18/15/66/343181566.db2.gz CADTTZMTDXDSPT-CVEARBPZSA-N 2 2 255.365 1.927 20 30 CDEDLP N#Cc1ccc(CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000595889760 343181569 /nfs/dbraw/zinc/18/15/69/343181569.db2.gz CADTTZMTDXDSPT-CVEARBPZSA-N 2 2 255.365 1.927 20 30 CDEDLP N#Cc1ccc(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000599423398 344053310 /nfs/dbraw/zinc/05/33/10/344053310.db2.gz WJTOAGRSSYASID-UHFFFAOYSA-N 2 2 252.321 1.882 20 30 CDEDLP N#Cc1ccc(CC[N@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000599423398 344053313 /nfs/dbraw/zinc/05/33/13/344053313.db2.gz WJTOAGRSSYASID-UHFFFAOYSA-N 2 2 252.321 1.882 20 30 CDEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000618888054 345419286 /nfs/dbraw/zinc/41/92/86/345419286.db2.gz MUARKTBVUABGPW-ZIAGYGMSSA-N 2 2 253.390 1.484 20 30 CDEDLP C=CC(C)(C)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000449486418 362729646 /nfs/dbraw/zinc/72/96/46/362729646.db2.gz SDCJVSNOXKEATP-UHFFFAOYSA-N 2 2 295.471 1.585 20 30 CDEDLP C=CC(C)(C)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000449486418 362729653 /nfs/dbraw/zinc/72/96/53/362729653.db2.gz SDCJVSNOXKEATP-UHFFFAOYSA-N 2 2 295.471 1.585 20 30 CDEDLP CC(C)[C@@H](C#N)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000611432185 346781938 /nfs/dbraw/zinc/78/19/38/346781938.db2.gz RVMGMHPLCCMXAH-CQSZACIVSA-N 2 2 261.373 1.049 20 30 CDEDLP C[N@@H+](Cc1cccc(C#N)n1)C[C@H]1CCC[NH+](C)C1 ZINC000602446075 350110945 /nfs/dbraw/zinc/11/09/45/350110945.db2.gz ZHJKRLDJSQOVNP-ZDUSSCGKSA-N 2 2 258.369 1.727 20 30 CDEDLP C[N@H+](Cc1cccc(C#N)n1)C[C@H]1CCC[NH+](C)C1 ZINC000602446075 350110948 /nfs/dbraw/zinc/11/09/48/350110948.db2.gz ZHJKRLDJSQOVNP-ZDUSSCGKSA-N 2 2 258.369 1.727 20 30 CDEDLP C[NH+](Cc1cccc(C#N)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000602446075 350110951 /nfs/dbraw/zinc/11/09/51/350110951.db2.gz ZHJKRLDJSQOVNP-ZDUSSCGKSA-N 2 2 258.369 1.727 20 30 CDEDLP C[NH+](Cc1cccc(C#N)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000602446075 350110954 /nfs/dbraw/zinc/11/09/54/350110954.db2.gz ZHJKRLDJSQOVNP-ZDUSSCGKSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[C@H](C)NC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000264100114 362967116 /nfs/dbraw/zinc/96/71/16/362967116.db2.gz NVWGFSBMTBALIF-ZDUSSCGKSA-N 2 2 262.401 1.821 20 30 CDEDLP CC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000264100114 362967118 /nfs/dbraw/zinc/96/71/18/362967118.db2.gz NVWGFSBMTBALIF-ZDUSSCGKSA-N 2 2 262.401 1.821 20 30 CDEDLP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000572595102 366062367 /nfs/dbraw/zinc/06/23/67/366062367.db2.gz SUWCFADMHBKLKZ-LSDHHAIUSA-N 2 2 262.401 1.997 20 30 CDEDLP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000572595102 366062371 /nfs/dbraw/zinc/06/23/71/366062371.db2.gz SUWCFADMHBKLKZ-LSDHHAIUSA-N 2 2 262.401 1.997 20 30 CDEDLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329843056 538696235 /nfs/dbraw/zinc/69/62/35/538696235.db2.gz NYPNFJVCAVNRAT-CYBMUJFWSA-N 2 2 291.399 1.345 20 30 CDEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329843056 538696244 /nfs/dbraw/zinc/69/62/44/538696244.db2.gz NYPNFJVCAVNRAT-CYBMUJFWSA-N 2 2 291.399 1.345 20 30 CDEDLP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000449386896 358521250 /nfs/dbraw/zinc/52/12/50/358521250.db2.gz JTITWEXGLHUPKJ-HWOWSKLDSA-N 2 2 279.428 1.895 20 30 CDEDLP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000449386896 358521251 /nfs/dbraw/zinc/52/12/51/358521251.db2.gz JTITWEXGLHUPKJ-HWOWSKLDSA-N 2 2 279.428 1.895 20 30 CDEDLP C=CCOc1cccc(C[NH2+]CC[N@H+](CC)CCO)c1 ZINC000274459314 359505161 /nfs/dbraw/zinc/50/51/61/359505161.db2.gz XIHOXCVVMDBVMJ-UHFFFAOYSA-N 2 2 278.396 1.655 20 30 CDEDLP C=CCOc1cccc(C[NH2+]CC[N@@H+](CC)CCO)c1 ZINC000274459314 359505164 /nfs/dbraw/zinc/50/51/64/359505164.db2.gz XIHOXCVVMDBVMJ-UHFFFAOYSA-N 2 2 278.396 1.655 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2C[N@H+](C)C3)CC1 ZINC000279794514 359594239 /nfs/dbraw/zinc/59/42/39/359594239.db2.gz OSVIPDYPEOKESM-UHFFFAOYSA-N 2 2 297.402 1.916 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2C[N@@H+](C)C3)CC1 ZINC000279794514 359594245 /nfs/dbraw/zinc/59/42/45/359594245.db2.gz OSVIPDYPEOKESM-UHFFFAOYSA-N 2 2 297.402 1.916 20 30 CDEDLP CCC(CC)C[N@H+](CCC#N)CC(=O)N1CC[NH+](C)CC1 ZINC000093178368 360292192 /nfs/dbraw/zinc/29/21/92/360292192.db2.gz DTSXYPQMWWWFQH-UHFFFAOYSA-N 2 2 294.443 1.412 20 30 CDEDLP CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CC[NH+](C)CC1 ZINC000093178368 360292196 /nfs/dbraw/zinc/29/21/96/360292196.db2.gz DTSXYPQMWWWFQH-UHFFFAOYSA-N 2 2 294.443 1.412 20 30 CDEDLP C[NH+](CCOCC[N@@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433284889 361227091 /nfs/dbraw/zinc/22/70/91/361227091.db2.gz GVPBGHDIDKMPSY-UHFFFAOYSA-N 2 2 294.443 1.966 20 30 CDEDLP C[NH+](CCOCC[N@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433284889 361227092 /nfs/dbraw/zinc/22/70/92/361227092.db2.gz GVPBGHDIDKMPSY-UHFFFAOYSA-N 2 2 294.443 1.966 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(C#N)c(F)c1 ZINC000271935488 367038228 /nfs/dbraw/zinc/03/82/28/367038228.db2.gz JWTIUWZKYRBBEA-SWLSCSKDSA-N 2 2 290.386 1.594 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)c(F)c1 ZINC000271935488 367038237 /nfs/dbraw/zinc/03/82/37/367038237.db2.gz JWTIUWZKYRBBEA-SWLSCSKDSA-N 2 2 290.386 1.594 20 30 CDEDLP CC#CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000129882517 375242697 /nfs/dbraw/zinc/24/26/97/375242697.db2.gz QZPBJLZSQGGRKJ-UHFFFAOYSA-N 2 2 264.292 1.646 20 30 CDEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000131551783 375286057 /nfs/dbraw/zinc/28/60/57/375286057.db2.gz BCQQCARSCDVTJG-KBPBESRZSA-N 2 2 257.337 1.218 20 30 CDEDLP C=CCN1CC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1=O ZINC000420367692 376337084 /nfs/dbraw/zinc/33/70/84/376337084.db2.gz NCRZYSDIZFFKKZ-KGLIPLIRSA-N 2 2 265.401 1.271 20 30 CDEDLP CC#CC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420971876 376518110 /nfs/dbraw/zinc/51/81/10/376518110.db2.gz LCVQTTBJJTYURP-UHFFFAOYSA-N 2 2 272.392 1.974 20 30 CDEDLP CC#CC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420971876 376518117 /nfs/dbraw/zinc/51/81/17/376518117.db2.gz LCVQTTBJJTYURP-UHFFFAOYSA-N 2 2 272.392 1.974 20 30 CDEDLP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccc1C#N ZINC000443996145 250069877 /nfs/dbraw/zinc/06/98/77/250069877.db2.gz IQMDAIOPGOCMEF-MRXNPFEDSA-N 2 2 272.396 1.202 20 30 CDEDLP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000443996145 250069872 /nfs/dbraw/zinc/06/98/72/250069872.db2.gz IQMDAIOPGOCMEF-MRXNPFEDSA-N 2 2 272.396 1.202 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124263579 390913739 /nfs/dbraw/zinc/91/37/39/390913739.db2.gz JIZGHFXXBIEFFQ-OAHLLOKOSA-N 2 2 291.399 1.259 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124263579 390913741 /nfs/dbraw/zinc/91/37/41/390913741.db2.gz JIZGHFXXBIEFFQ-OAHLLOKOSA-N 2 2 291.399 1.259 20 30 CDEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH+]1CCC1)C2 ZINC000329453049 390990729 /nfs/dbraw/zinc/99/07/29/390990729.db2.gz DCGHVIIJJBZBLU-LBPRGKRZSA-N 2 2 262.357 1.416 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479096 391381970 /nfs/dbraw/zinc/38/19/70/391381970.db2.gz MXLYIQDRAJBPLX-FMKPAKJESA-N 2 2 294.443 1.313 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479096 391381972 /nfs/dbraw/zinc/38/19/72/391381972.db2.gz MXLYIQDRAJBPLX-FMKPAKJESA-N 2 2 294.443 1.313 20 30 CDEDLP C=CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000125147648 391437566 /nfs/dbraw/zinc/43/75/66/391437566.db2.gz XRILRGULRGFDCU-CQSZACIVSA-N 2 2 297.424 1.257 20 30 CDEDLP C=CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000125147648 391437568 /nfs/dbraw/zinc/43/75/68/391437568.db2.gz XRILRGULRGFDCU-CQSZACIVSA-N 2 2 297.424 1.257 20 30 CDEDLP C[C@H]1C[NH+]=C(NC[C@H](c2cccs2)[NH+](C)C)N1 ZINC000262420265 391783336 /nfs/dbraw/zinc/78/33/36/391783336.db2.gz BCNMXTQLSXKDLQ-VHSXEESVSA-N 2 2 252.387 1.288 20 30 CDEDLP CCc1ccc([C@@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1 ZINC000262681948 391812042 /nfs/dbraw/zinc/81/20/42/391812042.db2.gz WPAOSJTXTJKTJA-IUODEOHRSA-N 2 2 274.412 1.789 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372988982 391869564 /nfs/dbraw/zinc/86/95/64/391869564.db2.gz HCGWHDTVQLHXGY-OLZOCXBDSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372988982 391869567 /nfs/dbraw/zinc/86/95/67/391869567.db2.gz HCGWHDTVQLHXGY-OLZOCXBDSA-N 2 2 253.390 1.093 20 30 CDEDLP C[N@@H+]1CC[C@H]2CCN(Cc3c[nH+]c4ccc(C#N)cn34)[C@H]2C1 ZINC000374905556 160325717 /nfs/dbraw/zinc/32/57/17/160325717.db2.gz ZLDOGNUHGNMWNA-HOCLYGCPSA-N 2 2 295.390 1.732 20 30 CDEDLP C[N@H+]1CC[C@H]2CCN(Cc3c[nH+]c4ccc(C#N)cn34)[C@H]2C1 ZINC000374905556 160325719 /nfs/dbraw/zinc/32/57/19/160325719.db2.gz ZLDOGNUHGNMWNA-HOCLYGCPSA-N 2 2 295.390 1.732 20 30 CDEDLP Cn1cc[nH+]c1CC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000347420556 226152265 /nfs/dbraw/zinc/15/22/65/226152265.db2.gz FISLDMSOYMSPMF-UHFFFAOYSA-N 2 2 258.369 1.978 20 30 CDEDLP C[C@@H]1C[NH+]=C(NC[C@H](c2cccs2)[NH+](C)C)N1 ZINC000262420254 262771357 /nfs/dbraw/zinc/77/13/57/262771357.db2.gz BCNMXTQLSXKDLQ-NXEZZACHSA-N 2 2 252.387 1.288 20 30 CDEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])N(C)C1CC1 ZINC000273368780 263016208 /nfs/dbraw/zinc/01/62/08/263016208.db2.gz VGWNZHHRZCLYGE-UHFFFAOYSA-N 2 2 271.368 1.754 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000341517873 263340586 /nfs/dbraw/zinc/34/05/86/263340586.db2.gz YCKUTQFITCHDDQ-UHFFFAOYSA-N 2 2 287.398 1.956 20 30 CDEDLP C[C@@H]1C[N@H+](CC2(C#N)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343576062 288148617 /nfs/dbraw/zinc/14/86/17/288148617.db2.gz AUJCLJJWPIVBCD-CABCVRRESA-N 2 2 276.428 1.248 20 30 CDEDLP C[C@@H]1C[N@@H+](CC2(C#N)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343576062 288148618 /nfs/dbraw/zinc/14/86/18/288148618.db2.gz AUJCLJJWPIVBCD-CABCVRRESA-N 2 2 276.428 1.248 20 30 CDEDLP Cc1ccc(NC(=[NH2+])NCCn2cc[nH+]c2)cc1C ZINC000264148479 328157900 /nfs/dbraw/zinc/15/79/00/328157900.db2.gz YRFLAJFLAILTRA-UHFFFAOYSA-N 2 2 257.341 1.927 20 30 CDEDLP CC[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)NC(C)(C)C ZINC000171607335 329078039 /nfs/dbraw/zinc/07/80/39/329078039.db2.gz ZTEORPKZOVYBFZ-UHFFFAOYSA-N 2 2 284.448 1.451 20 30 CDEDLP CC[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)NC(C)(C)C ZINC000171607335 329078040 /nfs/dbraw/zinc/07/80/40/329078040.db2.gz ZTEORPKZOVYBFZ-UHFFFAOYSA-N 2 2 284.448 1.451 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000491202885 332165169 /nfs/dbraw/zinc/16/51/69/332165169.db2.gz QMGOSYDKQRPXKI-UHFFFAOYSA-N 2 2 295.390 1.636 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000491202885 332165171 /nfs/dbraw/zinc/16/51/71/332165171.db2.gz QMGOSYDKQRPXKI-UHFFFAOYSA-N 2 2 295.390 1.636 20 30 CDEDLP COCC#CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000677480453 482683754 /nfs/dbraw/zinc/68/37/54/482683754.db2.gz TVEIGLSCSJTKND-HNNXBMFYSA-N 2 2 250.386 1.444 20 30 CDEDLP COCC#CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000677480453 482683757 /nfs/dbraw/zinc/68/37/57/482683757.db2.gz TVEIGLSCSJTKND-HNNXBMFYSA-N 2 2 250.386 1.444 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000732056485 575077811 /nfs/dbraw/zinc/07/78/11/575077811.db2.gz SKGSRIKHSJQRCE-INIZCTEOSA-N 2 2 294.358 1.908 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000732056485 575077813 /nfs/dbraw/zinc/07/78/13/575077813.db2.gz SKGSRIKHSJQRCE-INIZCTEOSA-N 2 2 294.358 1.908 20 30 CDEDLP c1cn(-c2ccc(N=NC3C[NH+]4CCC3CC4)nn2)c[nH+]1 ZINC000761845005 576597170 /nfs/dbraw/zinc/59/71/70/576597170.db2.gz FEKNKGTYHJRAEW-UHFFFAOYSA-N 2 2 283.339 1.156 20 30 CDEDLP Cn1cc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000761882111 576603077 /nfs/dbraw/zinc/60/30/77/576603077.db2.gz XJGZSBLNFZHNJX-UHFFFAOYSA-N 2 2 298.394 1.618 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C(C)C)CC2)CC1 ZINC000748824500 576928045 /nfs/dbraw/zinc/92/80/45/576928045.db2.gz KXYSGGWIYBPUOH-UHFFFAOYSA-N 2 2 291.439 1.132 20 30 CDEDLP CCc1[nH+]c(C=NN2CC[NH+](C)CC2)c2ccccn21 ZINC000755466267 576945878 /nfs/dbraw/zinc/94/58/78/576945878.db2.gz YAOQDFPYDXQDEQ-UHFFFAOYSA-N 2 2 271.368 1.478 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000950773460 612992343 /nfs/dbraw/zinc/99/23/43/612992343.db2.gz JOQDQCOVMYKIHH-UHFFFAOYSA-N 2 2 296.374 1.504 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC)CC1 ZINC000948825783 613195647 /nfs/dbraw/zinc/19/56/47/613195647.db2.gz REECVMFAAYMZMW-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC)CC1 ZINC000948825783 613195648 /nfs/dbraw/zinc/19/56/48/613195648.db2.gz REECVMFAAYMZMW-HNNXBMFYSA-N 2 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C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190559294 922067062 /nfs/dbraw/zinc/06/70/62/922067062.db2.gz WXISVTXUAFGRQR-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190559294 922067078 /nfs/dbraw/zinc/06/70/78/922067078.db2.gz WXISVTXUAFGRQR-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190559294 922067093 /nfs/dbraw/zinc/06/70/93/922067093.db2.gz WXISVTXUAFGRQR-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290929 922581394 /nfs/dbraw/zinc/58/13/94/922581394.db2.gz KMODQLMBDAPONN-OAHLLOKOSA-N 2 2 296.374 1.552 20 30 CDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290929 922581402 /nfs/dbraw/zinc/58/14/02/922581402.db2.gz KMODQLMBDAPONN-OAHLLOKOSA-N 2 2 296.374 1.552 20 30 CDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034502991 922654284 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C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452581 925258015 /nfs/dbraw/zinc/25/80/15/925258015.db2.gz MSCVNPVHZMQXND-MLGOLLRUSA-N 2 2 296.374 1.895 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593792 926191359 /nfs/dbraw/zinc/19/13/59/926191359.db2.gz ROEIWKHBVHPXDS-CABCVRRESA-N 2 2 277.412 1.025 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085593792 926191361 /nfs/dbraw/zinc/19/13/61/926191361.db2.gz ROEIWKHBVHPXDS-CABCVRRESA-N 2 2 277.412 1.025 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085593792 926191364 /nfs/dbraw/zinc/19/13/64/926191364.db2.gz ROEIWKHBVHPXDS-CABCVRRESA-N 2 2 277.412 1.025 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085593792 926191367 /nfs/dbraw/zinc/19/13/67/926191367.db2.gz ROEIWKHBVHPXDS-CABCVRRESA-N 2 2 277.412 1.025 20 30 CDEDLP C=C(CC)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254413 929641060 /nfs/dbraw/zinc/64/10/60/929641060.db2.gz WILARWCOVAUHSU-UHFFFAOYSA-N 2 2 279.428 1.758 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(F)ccc1N(C)C ZINC000883131228 930147074 /nfs/dbraw/zinc/14/70/74/930147074.db2.gz QBCVSJHFXPEIET-UHFFFAOYSA-N 2 2 277.387 1.936 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(F)ccc1N(C)C ZINC000883131228 930147078 /nfs/dbraw/zinc/14/70/78/930147078.db2.gz QBCVSJHFXPEIET-UHFFFAOYSA-N 2 2 277.387 1.936 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000884612458 930607225 /nfs/dbraw/zinc/60/72/25/930607225.db2.gz LYFKOEXDRDRBFA-HNNXBMFYSA-N 2 2 299.422 1.976 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000884612458 930607228 /nfs/dbraw/zinc/60/72/28/930607228.db2.gz LYFKOEXDRDRBFA-HNNXBMFYSA-N 2 2 299.422 1.976 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001091079207 931804575 /nfs/dbraw/zinc/80/45/75/931804575.db2.gz QEDIXBXGJYRDJE-NWINJMCUSA-N 2 2 288.395 1.574 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001091079207 931804578 /nfs/dbraw/zinc/80/45/78/931804578.db2.gz QEDIXBXGJYRDJE-NWINJMCUSA-N 2 2 288.395 1.574 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001091227876 932042822 /nfs/dbraw/zinc/04/28/22/932042822.db2.gz SPLZQEIQZSBCEQ-WXRRBKDZSA-N 2 2 288.395 1.500 20 30 CDEDLP C=C[C@H](COC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001118089871 937589113 /nfs/dbraw/zinc/58/91/13/937589113.db2.gz BIYQSBFUYNDBCU-HZPDHXFCSA-N 2 2 278.396 1.270 20 30 CDEDLP C=C[C@H](COC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001118089871 937589114 /nfs/dbraw/zinc/58/91/14/937589114.db2.gz BIYQSBFUYNDBCU-HZPDHXFCSA-N 2 2 278.396 1.270 20 30 CDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751589 937670672 /nfs/dbraw/zinc/67/06/72/937670672.db2.gz QBQPDSFMXFVQEA-ZIAGYGMSSA-N 2 2 290.411 1.438 20 30 CDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751589 937670673 /nfs/dbraw/zinc/67/06/73/937670673.db2.gz QBQPDSFMXFVQEA-ZIAGYGMSSA-N 2 2 290.411 1.438 20 30 CDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751589 937670675 /nfs/dbraw/zinc/67/06/75/937670675.db2.gz QBQPDSFMXFVQEA-ZIAGYGMSSA-N 2 2 290.411 1.438 20 30 CDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751589 937670676 /nfs/dbraw/zinc/67/06/76/937670676.db2.gz QBQPDSFMXFVQEA-ZIAGYGMSSA-N 2 2 290.411 1.438 20 30 CDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCc3ccc(C#N)cc3)C[C@H]21 ZINC000931281608 933531488 /nfs/dbraw/zinc/53/14/88/933531488.db2.gz UGFVXUORKLKNAB-ZSHCYNCHSA-N 2 2 255.365 1.593 20 30 CDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCc3ccc(C#N)cc3)C[C@H]21 ZINC000931281608 933531500 /nfs/dbraw/zinc/53/15/00/933531500.db2.gz UGFVXUORKLKNAB-ZSHCYNCHSA-N 2 2 255.365 1.593 20 30 CDEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)NCC1CCC1 ZINC000303982032 935050065 /nfs/dbraw/zinc/05/00/65/935050065.db2.gz PUMFAFFSBBVKBU-UHFFFAOYSA-N 2 2 275.400 1.978 20 30 CDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC ZINC001037895114 935312471 /nfs/dbraw/zinc/31/24/71/935312471.db2.gz FNEMHUGFTFFHHZ-HUUCEWRRSA-N 2 2 288.395 1.123 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208366 935421102 /nfs/dbraw/zinc/42/11/02/935421102.db2.gz OZOKZQWQCKBRFD-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208366 935421103 /nfs/dbraw/zinc/42/11/03/935421103.db2.gz OZOKZQWQCKBRFD-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016107814 935602096 /nfs/dbraw/zinc/60/20/96/935602096.db2.gz RWTGYLHSMZRMIV-ZDUSSCGKSA-N 2 2 276.384 1.417 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016107814 935602097 /nfs/dbraw/zinc/60/20/97/935602097.db2.gz RWTGYLHSMZRMIV-ZDUSSCGKSA-N 2 2 276.384 1.417 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001019181363 935695078 /nfs/dbraw/zinc/69/50/78/935695078.db2.gz DMJRESXDVBWNAM-LBPRGKRZSA-N 2 2 296.802 1.296 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039051265 935767286 /nfs/dbraw/zinc/76/72/86/935767286.db2.gz UYYXSOZLTJPSJV-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039051265 935767288 /nfs/dbraw/zinc/76/72/88/935767288.db2.gz UYYXSOZLTJPSJV-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039051265 935767290 /nfs/dbraw/zinc/76/72/90/935767290.db2.gz UYYXSOZLTJPSJV-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039051265 935767291 /nfs/dbraw/zinc/76/72/91/935767291.db2.gz UYYXSOZLTJPSJV-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001043603557 935840543 /nfs/dbraw/zinc/84/05/43/935840543.db2.gz MNTGDYYWAUKRGE-OAHLLOKOSA-N 2 2 293.455 1.827 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001043603557 935840547 /nfs/dbraw/zinc/84/05/47/935840547.db2.gz MNTGDYYWAUKRGE-OAHLLOKOSA-N 2 2 293.455 1.827 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001044623167 935866380 /nfs/dbraw/zinc/86/63/80/935866380.db2.gz BMLUGKVVCRPWPY-CHWSQXEVSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044623167 935866383 /nfs/dbraw/zinc/86/63/83/935866383.db2.gz BMLUGKVVCRPWPY-CHWSQXEVSA-N 2 2 276.384 1.497 20 30 CDEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314910 935940927 /nfs/dbraw/zinc/94/09/27/935940927.db2.gz OZLKKPZMCMWVCZ-QGZVFWFLSA-N 2 2 296.374 1.470 20 30 CDEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314910 935940929 /nfs/dbraw/zinc/94/09/29/935940929.db2.gz OZLKKPZMCMWVCZ-QGZVFWFLSA-N 2 2 296.374 1.470 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046598250 935961799 /nfs/dbraw/zinc/96/17/99/935961799.db2.gz NBIKRTMHTPODEX-OAHLLOKOSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046598250 935961800 /nfs/dbraw/zinc/96/18/00/935961800.db2.gz NBIKRTMHTPODEX-OAHLLOKOSA-N 2 2 299.846 1.661 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049519311 936152827 /nfs/dbraw/zinc/15/28/27/936152827.db2.gz RHTYBIDAKADIJQ-CABCVRRESA-N 2 2 288.395 1.594 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049519311 936152830 /nfs/dbraw/zinc/15/28/30/936152830.db2.gz RHTYBIDAKADIJQ-CABCVRRESA-N 2 2 288.395 1.594 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049519311 936152833 /nfs/dbraw/zinc/15/28/33/936152833.db2.gz RHTYBIDAKADIJQ-CABCVRRESA-N 2 2 288.395 1.594 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049519311 936152834 /nfs/dbraw/zinc/15/28/34/936152834.db2.gz RHTYBIDAKADIJQ-CABCVRRESA-N 2 2 288.395 1.594 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749373 936175438 /nfs/dbraw/zinc/17/54/38/936175438.db2.gz BUQAFSMAANBLDP-KBPBESRZSA-N 2 2 274.368 1.204 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749373 936175440 /nfs/dbraw/zinc/17/54/40/936175440.db2.gz BUQAFSMAANBLDP-KBPBESRZSA-N 2 2 274.368 1.204 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049927311 936190526 /nfs/dbraw/zinc/19/05/26/936190526.db2.gz IYZNFLNQGUDQRX-CABCVRRESA-N 2 2 288.395 1.525 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049927311 936190528 /nfs/dbraw/zinc/19/05/28/936190528.db2.gz IYZNFLNQGUDQRX-CABCVRRESA-N 2 2 288.395 1.525 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837637 940645798 /nfs/dbraw/zinc/64/57/98/940645798.db2.gz QJBYBXFPZAWFAB-KBPBESRZSA-N 2 2 290.411 1.888 20 30 CDEDLP CC[C@H](CC#N)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220898387 941484474 /nfs/dbraw/zinc/48/44/74/941484474.db2.gz HOCSLBHIADMUFC-OLZOCXBDSA-N 2 2 260.341 1.067 20 30 CDEDLP C=CC[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccccc1 ZINC001221361596 941521804 /nfs/dbraw/zinc/52/18/04/941521804.db2.gz XKKZNYJCRVGLIM-ANQUJSFKSA-N 2 2 285.391 1.642 20 30 CDEDLP Cn1c[nH+]cc1N1CC2(CC[N@@H+]2Cc2cc(C#N)n(C)c2)C1 ZINC001277765493 943497754 /nfs/dbraw/zinc/49/77/54/943497754.db2.gz JWOBHZSFOKNKMI-UHFFFAOYSA-N 2 2 296.378 1.095 20 30 CDEDLP Cn1c[nH+]cc1N1CC2(CC[N@H+]2Cc2cc(C#N)n(C)c2)C1 ZINC001277765493 943497757 /nfs/dbraw/zinc/49/77/57/943497757.db2.gz JWOBHZSFOKNKMI-UHFFFAOYSA-N 2 2 296.378 1.095 20 30 CDEDLP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235140946 944071663 /nfs/dbraw/zinc/07/16/63/944071663.db2.gz IGHULUXRWATSGG-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235140946 944071668 /nfs/dbraw/zinc/07/16/68/944071668.db2.gz IGHULUXRWATSGG-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235140946 944071675 /nfs/dbraw/zinc/07/16/75/944071675.db2.gz IGHULUXRWATSGG-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235140946 944071679 /nfs/dbraw/zinc/07/16/79/944071679.db2.gz IGHULUXRWATSGG-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C[NH+]1CCN(c2cccc(C[N@@H+]3CC[C@H](C#N)C3)c2)CC1 ZINC001236890921 944608635 /nfs/dbraw/zinc/60/86/35/944608635.db2.gz SUPXAGPUCHQJMJ-MRXNPFEDSA-N 2 2 284.407 1.784 20 30 CDEDLP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@H](C#N)C3)c2)CC1 ZINC001236890921 944608641 /nfs/dbraw/zinc/60/86/41/944608641.db2.gz SUPXAGPUCHQJMJ-MRXNPFEDSA-N 2 2 284.407 1.784 20 30 CDEDLP C=C[C@@](C)(O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001245982491 947878443 /nfs/dbraw/zinc/87/84/43/947878443.db2.gz DZGGMZLYFCVBPW-SWLSCSKDSA-N 2 2 286.416 1.352 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001252547020 951434378 /nfs/dbraw/zinc/43/43/78/951434378.db2.gz DHPAQYSQPXIVFJ-HNNXBMFYSA-N 2 2 262.353 1.862 20 30 CDEDLP COCCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326696827 954499336 /nfs/dbraw/zinc/49/93/36/954499336.db2.gz DQQBPZBBWMQDGT-UHFFFAOYSA-N 2 2 295.358 1.574 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001357414480 969584831 /nfs/dbraw/zinc/58/48/31/969584831.db2.gz PJEXMNGPUYQWAQ-CYBMUJFWSA-N 2 2 272.352 1.634 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402698554 976447825 /nfs/dbraw/zinc/44/78/25/976447825.db2.gz WNQOQJJDEQVJCQ-LBPRGKRZSA-N 2 2 296.802 1.533 20 30 CDEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392519733 977470673 /nfs/dbraw/zinc/47/06/73/977470673.db2.gz KGKLXMLANNFSAY-GFCCVEGCSA-N 2 2 297.362 1.118 20 30 CDEDLP CC[NH+]1CCC([NH+]2CCN(CCC#N)CC2)CC1 ZINC000601314323 342551922 /nfs/dbraw/zinc/55/19/22/342551922.db2.gz CCNVSPWIEGJNHJ-UHFFFAOYSA-N 2 2 250.390 1.002 20 30 CDEDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCCC#N)CC1 ZINC000595512644 343082295 /nfs/dbraw/zinc/08/22/95/343082295.db2.gz VNHJYCCGBJOMBL-UHFFFAOYSA-N 2 2 253.390 1.363 20 30 CDEDLP N#Cc1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000596649248 343370767 /nfs/dbraw/zinc/37/07/67/343370767.db2.gz DDVSUSWSRFDHLW-IRXDYDNUSA-N 2 2 285.391 1.457 20 30 CDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000619716208 349866851 /nfs/dbraw/zinc/86/68/51/349866851.db2.gz ASAXTYDSTZRCNM-ZDUSSCGKSA-N 2 2 254.374 1.378 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CC(C)(C)C#N ZINC000598601063 343850726 /nfs/dbraw/zinc/85/07/26/343850726.db2.gz YLQIZKLFBLLXSI-CYBMUJFWSA-N 2 2 264.373 1.506 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CC(C)(C)C#N ZINC000598601063 343850728 /nfs/dbraw/zinc/85/07/28/343850728.db2.gz YLQIZKLFBLLXSI-CYBMUJFWSA-N 2 2 264.373 1.506 20 30 CDEDLP N#Cc1cccc(C[NH2+]CCCCn2cc[nH+]c2)n1 ZINC000602517458 350117387 /nfs/dbraw/zinc/11/73/87/350117387.db2.gz CDNLRPNDFMMXGC-UHFFFAOYSA-N 2 2 255.325 1.720 20 30 CDEDLP CNC(NC[C@H](c1cccc(F)c1)[NH+](C)C)=[NH+]C ZINC000264081690 362960445 /nfs/dbraw/zinc/96/04/45/362960445.db2.gz ISGDELXALOTGLH-GFCCVEGCSA-N 2 2 252.337 1.223 20 30 CDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC000311579285 350695631 /nfs/dbraw/zinc/69/56/31/350695631.db2.gz WOLWCFGBZCPPNT-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC000311579285 350695633 /nfs/dbraw/zinc/69/56/33/350695633.db2.gz WOLWCFGBZCPPNT-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000311579285 350695638 /nfs/dbraw/zinc/69/56/38/350695638.db2.gz WOLWCFGBZCPPNT-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000311579285 350695642 /nfs/dbraw/zinc/69/56/42/350695642.db2.gz WOLWCFGBZCPPNT-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085346 351410988 /nfs/dbraw/zinc/41/09/88/351410988.db2.gz OJOVKJRLHLVNEP-MCIONIFRSA-N 2 2 267.417 1.517 20 30 CDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085346 351410994 /nfs/dbraw/zinc/41/09/94/351410994.db2.gz OJOVKJRLHLVNEP-MCIONIFRSA-N 2 2 267.417 1.517 20 30 CDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CC2 ZINC000570036852 359273900 /nfs/dbraw/zinc/27/39/00/359273900.db2.gz WJNKYASUKPTULF-DZGCQCFKSA-N 2 2 257.337 1.124 20 30 CDEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000338992318 361182299 /nfs/dbraw/zinc/18/22/99/361182299.db2.gz ICJQMVUTGCJHGZ-OAGGEKHMSA-N 2 2 277.412 1.723 20 30 CDEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000338992318 361182301 /nfs/dbraw/zinc/18/23/01/361182301.db2.gz ICJQMVUTGCJHGZ-OAGGEKHMSA-N 2 2 277.412 1.723 20 30 CDEDLP O=C(NCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329303270 361472622 /nfs/dbraw/zinc/47/26/22/361472622.db2.gz NVHWUIBIFKZMIW-LBPRGKRZSA-N 2 2 299.378 1.575 20 30 CDEDLP O=C(NCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329303270 361472630 /nfs/dbraw/zinc/47/26/30/361472630.db2.gz NVHWUIBIFKZMIW-LBPRGKRZSA-N 2 2 299.378 1.575 20 30 CDEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000582249210 364077495 /nfs/dbraw/zinc/07/74/95/364077495.db2.gz IFVBOZZUFDYSPL-OAHLLOKOSA-N 2 2 258.369 1.869 20 30 CDEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000582249210 364077499 /nfs/dbraw/zinc/07/74/99/364077499.db2.gz IFVBOZZUFDYSPL-OAHLLOKOSA-N 2 2 258.369 1.869 20 30 CDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCCC1 ZINC000171410107 365274511 /nfs/dbraw/zinc/27/45/11/365274511.db2.gz AXXANYUPRYWBBC-UHFFFAOYSA-N 2 2 284.367 1.439 20 30 CDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC3(C#N)CC3)C2)CC1 ZINC000538348636 368270393 /nfs/dbraw/zinc/27/03/93/368270393.db2.gz CATFNWCAWWYFBC-HNNXBMFYSA-N 2 2 276.428 1.390 20 30 CDEDLP C=CCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051095 374130807 /nfs/dbraw/zinc/13/08/07/374130807.db2.gz GRVODSOAWAXVQE-UHFFFAOYSA-N 2 2 253.390 1.049 20 30 CDEDLP C=CCCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051095 374130814 /nfs/dbraw/zinc/13/08/14/374130814.db2.gz GRVODSOAWAXVQE-UHFFFAOYSA-N 2 2 253.390 1.049 20 30 CDEDLP C=CCCN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000342500835 374264912 /nfs/dbraw/zinc/26/49/12/374264912.db2.gz DCTFGQAKZOGBCL-UHFFFAOYSA-N 2 2 282.432 1.230 20 30 CDEDLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(C#N)s2)n1C ZINC000425367696 374436628 /nfs/dbraw/zinc/43/66/28/374436628.db2.gz IMHFPUILIPKFIF-UHFFFAOYSA-N 2 2 275.381 1.709 20 30 CDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](C#N)CCC#N)CC[C@H]21 ZINC000247979521 377190403 /nfs/dbraw/zinc/19/04/03/377190403.db2.gz MAEHCNJNNSPZNI-RBSFLKMASA-N 2 2 260.385 1.846 20 30 CDEDLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](C#N)CCC#N)CC[C@H]21 ZINC000247979521 377190407 /nfs/dbraw/zinc/19/04/07/377190407.db2.gz MAEHCNJNNSPZNI-RBSFLKMASA-N 2 2 260.385 1.846 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](C#N)CCC#N)CC[C@H]21 ZINC000247979521 377190412 /nfs/dbraw/zinc/19/04/12/377190412.db2.gz MAEHCNJNNSPZNI-RBSFLKMASA-N 2 2 260.385 1.846 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](C#N)CCC#N)CC[C@H]21 ZINC000247979521 377190418 /nfs/dbraw/zinc/19/04/18/377190418.db2.gz MAEHCNJNNSPZNI-RBSFLKMASA-N 2 2 260.385 1.846 20 30 CDEDLP C#CCCOc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000131347840 377654113 /nfs/dbraw/zinc/65/41/13/377654113.db2.gz OWMXZXMSRIZABN-QGZVFWFLSA-N 2 2 290.407 1.491 20 30 CDEDLP CC(C)(C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303781386 391134169 /nfs/dbraw/zinc/13/41/69/391134169.db2.gz MCNHSLQYGQYZDB-UHFFFAOYSA-N 2 2 272.356 1.470 20 30 CDEDLP CCNC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267314190 391191777 /nfs/dbraw/zinc/19/17/77/391191777.db2.gz MHJDWTHMQWTFRP-UHFFFAOYSA-N 2 2 252.337 1.182 20 30 CDEDLP CCNC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267314190 391191779 /nfs/dbraw/zinc/19/17/79/391191779.db2.gz MHJDWTHMQWTFRP-UHFFFAOYSA-N 2 2 252.337 1.182 20 30 CDEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000271239001 391291674 /nfs/dbraw/zinc/29/16/74/391291674.db2.gz XTXDTCVFVPNPKY-LBPRGKRZSA-N 2 2 282.388 1.932 20 30 CDEDLP C[C@H]1C[NH+]=C(NC[C@H](c2ccco2)[NH+]2CCCCC2)N1 ZINC000262670107 391810412 /nfs/dbraw/zinc/81/04/12/391810412.db2.gz QOQZMENSRQRIOW-QWHCGFSZSA-N 2 2 276.384 1.744 20 30 CDEDLP COCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000449732831 393138550 /nfs/dbraw/zinc/13/85/50/393138550.db2.gz DJYZLSPWEPWAGY-UHFFFAOYSA-N 2 2 291.370 1.898 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000253190884 140330693 /nfs/dbraw/zinc/33/06/93/140330693.db2.gz LMMLZMKCKPHBHR-RYUDHWBXSA-N 2 2 277.393 1.573 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000253190884 140330694 /nfs/dbraw/zinc/33/06/94/140330694.db2.gz LMMLZMKCKPHBHR-RYUDHWBXSA-N 2 2 277.393 1.573 20 30 CDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000347455257 226161422 /nfs/dbraw/zinc/16/14/22/226161422.db2.gz DPFIPKCCRGNJKJ-CYBMUJFWSA-N 2 2 258.369 1.978 20 30 CDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000347455257 226161426 /nfs/dbraw/zinc/16/14/26/226161426.db2.gz DPFIPKCCRGNJKJ-CYBMUJFWSA-N 2 2 258.369 1.978 20 30 CDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1C[C@H](C)C[C@@H](C)C1 ZINC000073066893 260279968 /nfs/dbraw/zinc/27/99/68/260279968.db2.gz LVDDGLHQRFVWTB-ZIAGYGMSSA-N 2 2 277.416 1.827 20 30 CDEDLP CCN/C(=[NH+]/CC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261966614 262758723 /nfs/dbraw/zinc/75/87/23/262758723.db2.gz LQAJBDWULYILQW-QWHCGFSZSA-N 2 2 263.389 1.751 20 30 CDEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])NC2CCCCC2)n1C ZINC000262540925 262776583 /nfs/dbraw/zinc/77/65/83/262776583.db2.gz RSQUTAGUENGXEJ-UHFFFAOYSA-N 2 2 278.404 1.223 20 30 CDEDLP C[N@H+](CCC#N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285553682 263094097 /nfs/dbraw/zinc/09/40/97/263094097.db2.gz UUGPBRKTDAHGDC-UHFFFAOYSA-N 2 2 286.423 1.650 20 30 CDEDLP C[N@@H+](CCC#N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285553682 263094098 /nfs/dbraw/zinc/09/40/98/263094098.db2.gz UUGPBRKTDAHGDC-UHFFFAOYSA-N 2 2 286.423 1.650 20 30 CDEDLP C=CCn1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)nn1 ZINC000425356233 264129560 /nfs/dbraw/zinc/12/95/60/264129560.db2.gz PZNKSXKKLFRABC-UHFFFAOYSA-N 2 2 271.368 1.890 20 30 CDEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000077249392 264353100 /nfs/dbraw/zinc/35/31/00/264353100.db2.gz NOHREMPHFJKAMZ-MRXNPFEDSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000077249392 264353102 /nfs/dbraw/zinc/35/31/02/264353102.db2.gz NOHREMPHFJKAMZ-MRXNPFEDSA-N 2 2 292.427 1.211 20 30 CDEDLP C=CCCn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)nn1 ZINC000653566407 424287285 /nfs/dbraw/zinc/28/72/85/424287285.db2.gz RJRURZFDTFVJIZ-UHFFFAOYSA-N 2 2 286.383 1.888 20 30 CDEDLP C=C(Cl)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294587 267383332 /nfs/dbraw/zinc/38/33/32/267383332.db2.gz LVQJLWFNVOZTLF-FRRDWIJNSA-N 2 2 258.793 1.922 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294587 267383333 /nfs/dbraw/zinc/38/33/33/267383333.db2.gz LVQJLWFNVOZTLF-FRRDWIJNSA-N 2 2 258.793 1.922 20 30 CDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288752271 328253410 /nfs/dbraw/zinc/25/34/10/328253410.db2.gz QZCZLBBUIJDVNP-UHFFFAOYSA-N 2 2 286.326 1.270 20 30 CDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288752271 328253411 /nfs/dbraw/zinc/25/34/11/328253411.db2.gz QZCZLBBUIJDVNP-UHFFFAOYSA-N 2 2 286.326 1.270 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000181272950 329228777 /nfs/dbraw/zinc/22/87/77/329228777.db2.gz DIBANPLZYPPGAX-CYBMUJFWSA-N 2 2 253.390 1.047 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000181272950 329228779 /nfs/dbraw/zinc/22/87/79/329228779.db2.gz DIBANPLZYPPGAX-CYBMUJFWSA-N 2 2 253.390 1.047 20 30 CDEDLP CN(C)C(NCc1ccccc1)=[NH+]CCn1cc[nH+]c1 ZINC000263242484 330050443 /nfs/dbraw/zinc/05/04/43/330050443.db2.gz LSXJKFIJIAZEHO-UHFFFAOYSA-N 2 2 271.368 1.591 20 30 CDEDLP C=C(CC)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459080632 331269551 /nfs/dbraw/zinc/26/95/51/331269551.db2.gz PTVRZGFTBNQUNB-UHFFFAOYSA-N 2 2 296.459 1.620 20 30 CDEDLP C=C(CC)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459080632 331269552 /nfs/dbraw/zinc/26/95/52/331269552.db2.gz PTVRZGFTBNQUNB-UHFFFAOYSA-N 2 2 296.459 1.620 20 30 CDEDLP CC[NH+]1CCN(Cc2ccc(C[NH2+]CCC#N)cc2)CC1 ZINC000576100246 335153748 /nfs/dbraw/zinc/15/37/48/335153748.db2.gz CJOXVCQANMQTJE-UHFFFAOYSA-N 2 2 286.423 1.827 20 30 CDEDLP CCN1CC[NH+](Cc2ccc(C[NH2+]CCC#N)cc2)CC1 ZINC000576100246 335153750 /nfs/dbraw/zinc/15/37/50/335153750.db2.gz CJOXVCQANMQTJE-UHFFFAOYSA-N 2 2 286.423 1.827 20 30 CDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@@H](C#N)CCC#N ZINC000246087154 334230379 /nfs/dbraw/zinc/23/03/79/334230379.db2.gz NJENPMUOFOGTLT-OAHLLOKOSA-N 2 2 291.443 1.388 20 30 CDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@@H](C#N)CCC#N ZINC000246087154 334230380 /nfs/dbraw/zinc/23/03/80/334230380.db2.gz NJENPMUOFOGTLT-OAHLLOKOSA-N 2 2 291.443 1.388 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753634973 1159864759 /nfs/dbraw/zinc/86/47/59/1159864759.db2.gz VVLVIHQYXHAHRW-KGLIPLIRSA-N 2 2 278.400 1.752 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654458 482595683 /nfs/dbraw/zinc/59/56/83/482595683.db2.gz ZZKKGXORJDVRNI-QGZVFWFLSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654458 482595685 /nfs/dbraw/zinc/59/56/85/482595685.db2.gz ZZKKGXORJDVRNI-QGZVFWFLSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654458 482595686 /nfs/dbraw/zinc/59/56/86/482595686.db2.gz ZZKKGXORJDVRNI-QGZVFWFLSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654458 482595688 /nfs/dbraw/zinc/59/56/88/482595688.db2.gz ZZKKGXORJDVRNI-QGZVFWFLSA-N 2 2 291.439 1.605 20 30 CDEDLP CCN(CC)C(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000069536552 520436106 /nfs/dbraw/zinc/43/61/06/520436106.db2.gz IMJJQTNIOUGDRL-UHFFFAOYSA-N 2 2 296.459 1.678 20 30 CDEDLP Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000330327736 534815782 /nfs/dbraw/zinc/81/57/82/534815782.db2.gz LDLZKOBZVNWOPB-YRGRVCCFSA-N 2 2 292.383 1.691 20 30 CDEDLP Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC000330327736 534815788 /nfs/dbraw/zinc/81/57/88/534815788.db2.gz LDLZKOBZVNWOPB-YRGRVCCFSA-N 2 2 292.383 1.691 20 30 CDEDLP C=CCc1cc(C[N@H+](C)[C@H](C)C[NH3+])cc(OC)c1O ZINC000347109771 527235446 /nfs/dbraw/zinc/23/54/46/527235446.db2.gz PMOTWAMVXVPHIZ-LLVKDONJSA-N 2 2 264.369 1.908 20 30 CDEDLP C=CCc1cc(C[N@@H+](C)[C@H](C)C[NH3+])cc(OC)c1O ZINC000347109771 527235450 /nfs/dbraw/zinc/23/54/50/527235450.db2.gz PMOTWAMVXVPHIZ-LLVKDONJSA-N 2 2 264.369 1.908 20 30 CDEDLP Cc1[nH+]ccn1CCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000725885750 574455886 /nfs/dbraw/zinc/45/58/86/574455886.db2.gz ULBGSUGBRNAJCZ-UHFFFAOYSA-N 2 2 289.383 1.076 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000730097572 574849417 /nfs/dbraw/zinc/84/94/17/574849417.db2.gz ASYSOFPUPYMALC-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000730097572 574849418 /nfs/dbraw/zinc/84/94/18/574849418.db2.gz ASYSOFPUPYMALC-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000730097572 574849419 /nfs/dbraw/zinc/84/94/19/574849419.db2.gz ASYSOFPUPYMALC-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000730097572 574849420 /nfs/dbraw/zinc/84/94/20/574849420.db2.gz ASYSOFPUPYMALC-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000730275671 574907609 /nfs/dbraw/zinc/90/76/09/574907609.db2.gz RZAGNDBMWFSRMJ-INIZCTEOSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000730275671 574907610 /nfs/dbraw/zinc/90/76/10/574907610.db2.gz RZAGNDBMWFSRMJ-INIZCTEOSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000974683753 613202731 /nfs/dbraw/zinc/20/27/31/613202731.db2.gz FAEAGQSCXWSYNV-GJZGRUSLSA-N 2 2 291.439 1.319 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974683753 613202733 /nfs/dbraw/zinc/20/27/33/613202733.db2.gz FAEAGQSCXWSYNV-GJZGRUSLSA-N 2 2 291.439 1.319 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](C(C)C)CC1(C)C ZINC000974683753 613202734 /nfs/dbraw/zinc/20/27/34/613202734.db2.gz FAEAGQSCXWSYNV-GJZGRUSLSA-N 2 2 291.439 1.319 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](C(C)C)CC1(C)C ZINC000974683753 613202735 /nfs/dbraw/zinc/20/27/35/613202735.db2.gz FAEAGQSCXWSYNV-GJZGRUSLSA-N 2 2 291.439 1.319 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974780680 613283860 /nfs/dbraw/zinc/28/38/60/613283860.db2.gz UFLXLWOSQPASJL-OAHLLOKOSA-N 2 2 296.374 1.408 20 30 CDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974780680 613283861 /nfs/dbraw/zinc/28/38/61/613283861.db2.gz UFLXLWOSQPASJL-OAHLLOKOSA-N 2 2 296.374 1.408 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968533897 613323840 /nfs/dbraw/zinc/32/38/40/613323840.db2.gz NFQJXOFMSHZBQS-HIFRSBDPSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968533897 613323842 /nfs/dbraw/zinc/32/38/42/613323842.db2.gz NFQJXOFMSHZBQS-HIFRSBDPSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971688205 613369740 /nfs/dbraw/zinc/36/97/40/613369740.db2.gz TUHPBACRAHSRRH-AWEZNQCLSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971688205 613369741 /nfs/dbraw/zinc/36/97/41/613369741.db2.gz TUHPBACRAHSRRH-AWEZNQCLSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971688205 613369742 /nfs/dbraw/zinc/36/97/42/613369742.db2.gz TUHPBACRAHSRRH-AWEZNQCLSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971688205 613369743 /nfs/dbraw/zinc/36/97/43/613369743.db2.gz TUHPBACRAHSRRH-AWEZNQCLSA-N 2 2 299.846 1.756 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948091360 613536115 /nfs/dbraw/zinc/53/61/15/613536115.db2.gz YANKUCYYGWMIIG-KGLIPLIRSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948091360 613536116 /nfs/dbraw/zinc/53/61/16/613536116.db2.gz YANKUCYYGWMIIG-KGLIPLIRSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000950336790 613654504 /nfs/dbraw/zinc/65/45/04/613654504.db2.gz XRYAXIGUGXHKIS-OAHLLOKOSA-N 2 2 277.412 1.047 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946800761 613832374 /nfs/dbraw/zinc/83/23/74/613832374.db2.gz KDPZXDAZOXYDBP-OKILXGFUSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946800761 613832375 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1.050 20 30 CDEDLP CCO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C[NH3+] ZINC001578157660 1171821345 /nfs/dbraw/zinc/82/13/45/1171821345.db2.gz JMUGGHBVTHPEEE-ZWNOBZJWSA-N 2 2 265.382 1.415 20 30 CDEDLP CCO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C[NH3+] ZINC001578157660 1171821355 /nfs/dbraw/zinc/82/13/55/1171821355.db2.gz JMUGGHBVTHPEEE-ZWNOBZJWSA-N 2 2 265.382 1.415 20 30 CDEDLP COc1cc(C#N)ccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001579139388 1172104331 /nfs/dbraw/zinc/10/43/31/1172104331.db2.gz ZDELBZACIFYFKV-ZIAGYGMSSA-N 2 2 259.353 1.926 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001752807459 1184918853 /nfs/dbraw/zinc/91/88/53/1184918853.db2.gz HIEJFJJTHGNOGT-ZDUSSCGKSA-N 2 2 276.384 1.357 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001753116969 1185068574 /nfs/dbraw/zinc/06/85/74/1185068574.db2.gz SPTSCNHIFVYSRE-ZDUSSCGKSA-N 2 2 276.384 1.417 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001753116969 1185068578 /nfs/dbraw/zinc/06/85/78/1185068578.db2.gz SPTSCNHIFVYSRE-ZDUSSCGKSA-N 2 2 276.384 1.417 20 30 CDEDLP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753816057 1185343210 /nfs/dbraw/zinc/34/32/10/1185343210.db2.gz QOGORKAJHVAMAV-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001755133907 1185827397 /nfs/dbraw/zinc/82/73/97/1185827397.db2.gz HHEDXYZALBKWNQ-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CC[NH+]1CCN(c2cc(N(C)C)[nH+]c(C)n2)CC1 ZINC001165033193 721864094 /nfs/dbraw/zinc/86/40/94/721864094.db2.gz HDHLYNAKNQVJPP-UHFFFAOYSA-N 2 2 261.373 1.159 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1CC ZINC001087810404 905865559 /nfs/dbraw/zinc/86/55/59/905865559.db2.gz SPJINXPSBDGLQU-DZGCQCFKSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1CC ZINC001087810404 905865568 /nfs/dbraw/zinc/86/55/68/905865568.db2.gz SPJINXPSBDGLQU-DZGCQCFKSA-N 2 2 290.411 1.806 20 30 CDEDLP N#Cc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206185889 912131417 /nfs/dbraw/zinc/13/14/17/912131417.db2.gz OXGSGTWJPDPRFO-STQMWFEESA-N 2 2 263.316 1.525 20 30 CDEDLP N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206185889 912131420 /nfs/dbraw/zinc/13/14/20/912131420.db2.gz OXGSGTWJPDPRFO-STQMWFEESA-N 2 2 263.316 1.525 20 30 CDEDLP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001183044040 918266060 /nfs/dbraw/zinc/26/60/60/918266060.db2.gz BDZCEHUYDYAOGY-AWEZNQCLSA-N 2 2 288.395 1.768 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001183772634 918662683 /nfs/dbraw/zinc/66/26/83/918662683.db2.gz JDUUJFRQVIILIG-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184535194 919174177 /nfs/dbraw/zinc/17/41/77/919174177.db2.gz RJKRGRATTHDRBU-KBPBESRZSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184535194 919174191 /nfs/dbraw/zinc/17/41/91/919174191.db2.gz RJKRGRATTHDRBU-KBPBESRZSA-N 2 2 288.395 1.050 20 30 CDEDLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1CC#N ZINC001168737483 921904854 /nfs/dbraw/zinc/90/48/54/921904854.db2.gz ZJORKWIEXMDSQX-UHFFFAOYSA-N 2 2 287.367 1.355 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194439212 924237847 /nfs/dbraw/zinc/23/78/47/924237847.db2.gz HTROSIDKFVDFJM-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194439212 924237856 /nfs/dbraw/zinc/23/78/56/924237856.db2.gz HTROSIDKFVDFJM-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520705 926889545 /nfs/dbraw/zinc/88/95/45/926889545.db2.gz ABGBAUJEDZNYTQ-HUUCEWRRSA-N 2 2 290.411 1.684 20 30 CDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520705 926889555 /nfs/dbraw/zinc/88/95/55/926889555.db2.gz ABGBAUJEDZNYTQ-HUUCEWRRSA-N 2 2 290.411 1.684 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498368 929774559 /nfs/dbraw/zinc/77/45/59/929774559.db2.gz DOLBYAQXDFRWAQ-ZDUSSCGKSA-N 2 2 264.373 1.506 20 30 CDEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001096608251 936193127 /nfs/dbraw/zinc/19/31/27/936193127.db2.gz SDVUJZZTBFDNIC-FXUDXRNXSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001096608251 936193130 /nfs/dbraw/zinc/19/31/30/936193130.db2.gz SDVUJZZTBFDNIC-FXUDXRNXSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001096608251 936193133 /nfs/dbraw/zinc/19/31/33/936193133.db2.gz SDVUJZZTBFDNIC-FXUDXRNXSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001096608251 936193134 /nfs/dbraw/zinc/19/31/34/936193134.db2.gz SDVUJZZTBFDNIC-FXUDXRNXSA-N 2 2 289.423 1.216 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)c(F)cc2C#N)CC1 ZINC001157910302 938561241 /nfs/dbraw/zinc/56/12/41/938561241.db2.gz BETVYCVKOOHGEM-UHFFFAOYSA-N 2 2 296.737 1.340 20 30 CDEDLP C#CCC[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160528181 938795916 /nfs/dbraw/zinc/79/59/16/938795916.db2.gz JWWWZXIWMAZPEZ-HNNXBMFYSA-N 2 2 290.411 1.590 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161314594 938887141 /nfs/dbraw/zinc/88/71/41/938887141.db2.gz DMUMKQBEPTVCIX-CQSZACIVSA-N 2 2 290.411 1.508 20 30 CDEDLP C[NH+](C)C1(CNc2cc[nH+]c(CC#N)c2)CC[NH+](C)CC1 ZINC001164216913 939432110 /nfs/dbraw/zinc/43/21/10/939432110.db2.gz MIMCXDOXQUUAQR-UHFFFAOYSA-N 3 2 287.411 1.007 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166960269 939660909 /nfs/dbraw/zinc/66/09/09/939660909.db2.gz CWYNHBHQFWFQNZ-CHWSQXEVSA-N 2 2 276.384 1.196 20 30 CDEDLP O=C1C=C2C[N@@H+](CC3CC[NH2+]CC3)CC[C@H]2S1 ZINC001207435917 940195460 /nfs/dbraw/zinc/19/54/60/940195460.db2.gz OBCDKZQABCTQJK-GFCCVEGCSA-N 2 2 252.383 1.260 20 30 CDEDLP O=C1C=C2C[N@H+](CC3CC[NH2+]CC3)CC[C@H]2S1 ZINC001207435917 940195462 /nfs/dbraw/zinc/19/54/62/940195462.db2.gz OBCDKZQABCTQJK-GFCCVEGCSA-N 2 2 252.383 1.260 20 30 CDEDLP N#Cc1cccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)n1 ZINC001218586636 941242095 /nfs/dbraw/zinc/24/20/95/941242095.db2.gz CICMKGKZKIJMQG-CYBMUJFWSA-N 2 2 281.319 1.164 20 30 CDEDLP C#C[C@](C)([NH3+])C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218849021 941279257 /nfs/dbraw/zinc/27/92/57/941279257.db2.gz UUZIBUOCGCTKET-HNNXBMFYSA-N 2 2 268.320 1.221 20 30 CDEDLP C=CC[NH+]1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001224692123 941783382 /nfs/dbraw/zinc/78/33/82/941783382.db2.gz OAAYAEHQLSHWDP-AWEZNQCLSA-N 2 2 290.411 1.848 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227714991 942211235 /nfs/dbraw/zinc/21/12/35/942211235.db2.gz NYYVBGFDHZUSHR-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227714991 942211238 /nfs/dbraw/zinc/21/12/38/942211238.db2.gz NYYVBGFDHZUSHR-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP N#CCCCC[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001277952302 944197389 /nfs/dbraw/zinc/19/73/89/944197389.db2.gz WYXCJUDASLMHCU-UHFFFAOYSA-N 2 2 273.384 1.337 20 30 CDEDLP C[N@H+](CCC#N)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236888809 944605714 /nfs/dbraw/zinc/60/57/14/944605714.db2.gz RPTOTQMWPVQCEV-UHFFFAOYSA-N 2 2 272.396 1.784 20 30 CDEDLP C[N@@H+](CCC#N)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236888809 944605717 /nfs/dbraw/zinc/60/57/17/944605717.db2.gz RPTOTQMWPVQCEV-UHFFFAOYSA-N 2 2 272.396 1.784 20 30 CDEDLP C[NH+]1CCN(C2CC[NH+](Cc3ccnc(C#N)c3)CC2)CC1 ZINC001237462641 944793890 /nfs/dbraw/zinc/79/38/90/944793890.db2.gz HVEZRXYQQABYAL-UHFFFAOYSA-N 2 2 299.422 1.165 20 30 CDEDLP Cc1cc(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC001254669314 947583894 /nfs/dbraw/zinc/58/38/94/947583894.db2.gz QTDIDCUCNHUBSU-CABCVRRESA-N 2 2 285.395 1.908 20 30 CDEDLP CCOC(=O)C1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246876990 948499789 /nfs/dbraw/zinc/49/97/89/948499789.db2.gz SSPBKBRUYACXKJ-PBWFPOADSA-N 2 2 291.395 1.438 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001437703882 963135280 /nfs/dbraw/zinc/13/52/80/963135280.db2.gz QMTCAQCWIRTAQB-CYBMUJFWSA-N 2 2 296.802 1.525 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001437703882 963135287 /nfs/dbraw/zinc/13/52/87/963135287.db2.gz QMTCAQCWIRTAQB-CYBMUJFWSA-N 2 2 296.802 1.525 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001401147803 975484094 /nfs/dbraw/zinc/48/40/94/975484094.db2.gz JFJUCBYMHOGBFY-VIFPVBQESA-N 2 2 284.791 1.355 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001390603077 976386069 /nfs/dbraw/zinc/38/60/69/976386069.db2.gz HKRBKSNPHINSFY-GFCCVEGCSA-N 2 2 296.802 1.451 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001394121588 978077918 /nfs/dbraw/zinc/07/79/18/978077918.db2.gz AGDLPTWGRVUNPQ-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)CC[N@H+](C)CC ZINC001394121588 978077925 /nfs/dbraw/zinc/07/79/25/978077925.db2.gz AGDLPTWGRVUNPQ-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)CC ZINC001394121588 978077928 /nfs/dbraw/zinc/07/79/28/978077928.db2.gz AGDLPTWGRVUNPQ-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)CC ZINC001394121588 978077936 /nfs/dbraw/zinc/07/79/36/978077936.db2.gz AGDLPTWGRVUNPQ-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133242206 1163612469 /nfs/dbraw/zinc/61/24/69/1163612469.db2.gz OUIMCGOSICWFIR-UONOGXRCSA-N 2 2 290.411 1.223 20 30 CDEDLP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1C[C@@H]1C ZINC000083899938 342377914 /nfs/dbraw/zinc/37/79/14/342377914.db2.gz MOANXNLCGZTJDT-JSGCOSHPSA-N 2 2 285.395 1.840 20 30 CDEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000669936921 482523730 /nfs/dbraw/zinc/52/37/30/482523730.db2.gz LFYSXPUADLNGTH-HZPDHXFCSA-N 2 2 264.413 1.833 20 30 CDEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000669936921 482523735 /nfs/dbraw/zinc/52/37/35/482523735.db2.gz LFYSXPUADLNGTH-HZPDHXFCSA-N 2 2 264.413 1.833 20 30 CDEDLP CC[C@H](C#N)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601805449 344265088 /nfs/dbraw/zinc/26/50/88/344265088.db2.gz OBMSMGWQNYSBAA-GFCCVEGCSA-N 2 2 287.367 1.322 20 30 CDEDLP CC#CC[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000641768707 365834883 /nfs/dbraw/zinc/83/48/83/365834883.db2.gz GLGYIUBGGVCMRR-CGTJXYLNSA-N 2 2 286.419 1.871 20 30 CDEDLP CC#CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000641768707 365834892 /nfs/dbraw/zinc/83/48/92/365834892.db2.gz GLGYIUBGGVCMRR-CGTJXYLNSA-N 2 2 286.419 1.871 20 30 CDEDLP CC(C)[C@H](C#N)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000611431829 346782183 /nfs/dbraw/zinc/78/21/83/346782183.db2.gz CMRUFYMJCCJLPT-HNNXBMFYSA-N 2 2 275.400 1.439 20 30 CDEDLP N#CCCN1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000614911433 348267985 /nfs/dbraw/zinc/26/79/85/348267985.db2.gz KEGQRULMUKRNCE-UHFFFAOYSA-N 2 2 264.417 1.394 20 30 CDEDLP CCNC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264129805 362974341 /nfs/dbraw/zinc/97/43/41/362974341.db2.gz XPBHGMUTTVIRRK-GFCCVEGCSA-N 2 2 252.337 1.353 20 30 CDEDLP N#Cc1ccc(O[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)nc1 ZINC000292239118 198213032 /nfs/dbraw/zinc/21/30/32/198213032.db2.gz QBVXYXJUUQDUJR-HNNXBMFYSA-N 2 2 297.362 1.693 20 30 CDEDLP N#Cc1ccc(O[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)nc1 ZINC000292239118 198213034 /nfs/dbraw/zinc/21/30/34/198213034.db2.gz QBVXYXJUUQDUJR-HNNXBMFYSA-N 2 2 297.362 1.693 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1C#N ZINC000290585289 357226617 /nfs/dbraw/zinc/22/66/17/357226617.db2.gz UWCXUWIDGFGCON-HOCLYGCPSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1C#N ZINC000290585289 357226624 /nfs/dbraw/zinc/22/66/24/357226624.db2.gz UWCXUWIDGFGCON-HOCLYGCPSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C#N ZINC000290585289 357226628 /nfs/dbraw/zinc/22/66/28/357226628.db2.gz UWCXUWIDGFGCON-HOCLYGCPSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1C#N ZINC000290585289 357226631 /nfs/dbraw/zinc/22/66/31/357226631.db2.gz UWCXUWIDGFGCON-HOCLYGCPSA-N 2 2 272.396 1.813 20 30 CDEDLP CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000188673981 357925337 /nfs/dbraw/zinc/92/53/37/357925337.db2.gz LTYQVMBUFVMVLE-INIZCTEOSA-N 2 2 287.407 1.883 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000571815624 359617760 /nfs/dbraw/zinc/61/77/60/359617760.db2.gz HPRYDACFDWOOIW-CYBMUJFWSA-N 2 2 267.336 1.676 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000571815624 359617763 /nfs/dbraw/zinc/61/77/63/359617763.db2.gz HPRYDACFDWOOIW-CYBMUJFWSA-N 2 2 267.336 1.676 20 30 CDEDLP CC[C@@H]1CCCC[N@@H+]1CCNC[C@H](O)C[NH+](C)CCC#N ZINC000583626016 361567936 /nfs/dbraw/zinc/56/79/36/361567936.db2.gz BHCPZHJXTNNDAO-CVEARBPZSA-N 2 2 296.459 1.047 20 30 CDEDLP CC[C@@H]1CCCC[N@H+]1CCNC[C@H](O)C[NH+](C)CCC#N ZINC000583626016 361567940 /nfs/dbraw/zinc/56/79/40/361567940.db2.gz BHCPZHJXTNNDAO-CVEARBPZSA-N 2 2 296.459 1.047 20 30 CDEDLP CC[C@@H]1CCCC[NH+]1CCNC[C@H](O)C[N@H+](C)CCC#N ZINC000583626016 361567942 /nfs/dbraw/zinc/56/79/42/361567942.db2.gz BHCPZHJXTNNDAO-CVEARBPZSA-N 2 2 296.459 1.047 20 30 CDEDLP CC[C@@H]1CCCC[NH+]1CCNC[C@H](O)C[N@@H+](C)CCC#N ZINC000583626016 361567945 /nfs/dbraw/zinc/56/79/45/361567945.db2.gz BHCPZHJXTNNDAO-CVEARBPZSA-N 2 2 296.459 1.047 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(OC)s2)CC1 ZINC000638523735 370738554 /nfs/dbraw/zinc/73/85/54/370738554.db2.gz DZIYQBXYRVTHRD-UHFFFAOYSA-N 2 2 267.398 1.892 20 30 CDEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000305118843 370870058 /nfs/dbraw/zinc/87/00/58/370870058.db2.gz LSQLIZZBRKNJGA-UKRRQHHQSA-N 2 2 262.353 1.862 20 30 CDEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000305118843 370870063 /nfs/dbraw/zinc/87/00/63/370870063.db2.gz LSQLIZZBRKNJGA-UKRRQHHQSA-N 2 2 262.353 1.862 20 30 CDEDLP C[N@H+](Cc1cc(C#N)ccc1F)C1CC[NH+](CCO)CC1 ZINC000357650547 373925303 /nfs/dbraw/zinc/92/53/03/373925303.db2.gz OZHHVDXTTWRAHY-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP C[N@@H+](Cc1cc(C#N)ccc1F)C1CC[NH+](CCO)CC1 ZINC000357650547 373925314 /nfs/dbraw/zinc/92/53/14/373925314.db2.gz OZHHVDXTTWRAHY-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000067122406 374392781 /nfs/dbraw/zinc/39/27/81/374392781.db2.gz UXCAZZLKEJKVKT-QGZVFWFLSA-N 2 2 287.407 1.741 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(C#N)c(F)c1 ZINC000423502659 374385076 /nfs/dbraw/zinc/38/50/76/374385076.db2.gz FEYAUNVSQSZUOB-SMDDNHRTSA-N 2 2 276.359 1.252 20 30 CDEDLP N#CCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804714 376736642 /nfs/dbraw/zinc/73/66/42/376736642.db2.gz VAHKPPXHUGOKLY-AWEZNQCLSA-N 2 2 251.374 1.334 20 30 CDEDLP N#CCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804714 376736649 /nfs/dbraw/zinc/73/66/49/376736649.db2.gz VAHKPPXHUGOKLY-AWEZNQCLSA-N 2 2 251.374 1.334 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858475 376811678 /nfs/dbraw/zinc/81/16/78/376811678.db2.gz CVWAXNJYWLXZCB-AWEZNQCLSA-N 2 2 280.416 1.022 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858475 376811683 /nfs/dbraw/zinc/81/16/83/376811683.db2.gz CVWAXNJYWLXZCB-AWEZNQCLSA-N 2 2 280.416 1.022 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072858475 376811690 /nfs/dbraw/zinc/81/16/90/376811690.db2.gz CVWAXNJYWLXZCB-AWEZNQCLSA-N 2 2 280.416 1.022 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072858475 376811695 /nfs/dbraw/zinc/81/16/95/376811695.db2.gz CVWAXNJYWLXZCB-AWEZNQCLSA-N 2 2 280.416 1.022 20 30 CDEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)o1 ZINC000266238623 190242735 /nfs/dbraw/zinc/24/27/35/190242735.db2.gz WQYLGNFYEZTYPP-UHFFFAOYSA-N 2 2 263.341 1.088 20 30 CDEDLP C#Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000279125281 194294826 /nfs/dbraw/zinc/29/48/26/194294826.db2.gz XRIRMRBSWWDVJY-HNNXBMFYSA-N 2 2 272.392 1.726 20 30 CDEDLP CN(C)C(=[NH+]Cc1ccc(-n2cc[nH+]c2)nc1)N(C)C ZINC000303786537 391134127 /nfs/dbraw/zinc/13/41/27/391134127.db2.gz RNGBFIOBIZWABL-UHFFFAOYSA-N 2 2 272.356 1.247 20 30 CDEDLP Cc1cc(NC[C@]2([NH+](C)C)CCSC2)c(C#N)c[nH+]1 ZINC000425235652 393000368 /nfs/dbraw/zinc/00/03/68/393000368.db2.gz PCEBNBSBCGERFM-CQSZACIVSA-N 2 2 276.409 1.533 20 30 CDEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657454559 414350658 /nfs/dbraw/zinc/35/06/58/414350658.db2.gz LZLGZDADZAHUNH-SWLSCSKDSA-N 2 2 261.369 1.900 20 30 CDEDLP C=C[C@H](CO)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000662168946 414548463 /nfs/dbraw/zinc/54/84/63/414548463.db2.gz ZRTJWTHCFJEGDP-IAGOWNOFSA-N 2 2 290.407 1.414 20 30 CDEDLP C=C[C@H](CO)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000662168946 414548464 /nfs/dbraw/zinc/54/84/64/414548464.db2.gz ZRTJWTHCFJEGDP-IAGOWNOFSA-N 2 2 290.407 1.414 20 30 CDEDLP Cn1c[nH+]c2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000518759403 261229474 /nfs/dbraw/zinc/22/94/74/261229474.db2.gz SLXXAENXKMKJSQ-CYBMUJFWSA-N 2 2 287.367 1.192 20 30 CDEDLP Cn1c[nH+]c2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000518759403 261229475 /nfs/dbraw/zinc/22/94/75/261229475.db2.gz SLXXAENXKMKJSQ-CYBMUJFWSA-N 2 2 287.367 1.192 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000330786197 264053497 /nfs/dbraw/zinc/05/34/97/264053497.db2.gz MXLYIQDRAJBPLX-YCPHGPKFSA-N 2 2 294.443 1.313 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000330786197 264053499 /nfs/dbraw/zinc/05/34/99/264053499.db2.gz MXLYIQDRAJBPLX-YCPHGPKFSA-N 2 2 294.443 1.313 20 30 CDEDLP CC[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329735198 276366394 /nfs/dbraw/zinc/36/63/94/276366394.db2.gz KUSJHRZRTHBJAA-LBPRGKRZSA-N 2 2 291.399 1.209 20 30 CDEDLP CC[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329735198 276366396 /nfs/dbraw/zinc/36/63/96/276366396.db2.gz KUSJHRZRTHBJAA-LBPRGKRZSA-N 2 2 291.399 1.209 20 30 CDEDLP CC[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329735198 276366397 /nfs/dbraw/zinc/36/63/97/276366397.db2.gz KUSJHRZRTHBJAA-LBPRGKRZSA-N 2 2 291.399 1.209 20 30 CDEDLP CC[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329735198 276366398 /nfs/dbraw/zinc/36/63/98/276366398.db2.gz KUSJHRZRTHBJAA-LBPRGKRZSA-N 2 2 291.399 1.209 20 30 CDEDLP CO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000161009561 277292783 /nfs/dbraw/zinc/29/27/83/277292783.db2.gz KAGDMFFNMZJXBX-LSDHHAIUSA-N 2 2 259.353 1.496 20 30 CDEDLP CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000161009561 277292784 /nfs/dbraw/zinc/29/27/84/277292784.db2.gz KAGDMFFNMZJXBX-LSDHHAIUSA-N 2 2 259.353 1.496 20 30 CDEDLP CC[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)NC1CCCC1 ZINC000171613692 329077982 /nfs/dbraw/zinc/07/79/82/329077982.db2.gz FZLTVWZWSHJCPL-UHFFFAOYSA-N 2 2 296.459 1.595 20 30 CDEDLP CC[NH+]=C(NCC[N@H+]1CCOCC1(C)C)NC1CCCC1 ZINC000171613692 329077983 /nfs/dbraw/zinc/07/79/83/329077983.db2.gz FZLTVWZWSHJCPL-UHFFFAOYSA-N 2 2 296.459 1.595 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C(CC)CC)C2CC2)CC1 ZINC000490838822 332118914 /nfs/dbraw/zinc/11/89/14/332118914.db2.gz DTMUHPVUGFNFHJ-UHFFFAOYSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C(CC)CC)C2CC2)CC1 ZINC000490838822 332118916 /nfs/dbraw/zinc/11/89/16/332118916.db2.gz DTMUHPVUGFNFHJ-UHFFFAOYSA-N 2 2 291.439 1.417 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669785 333327383 /nfs/dbraw/zinc/32/73/83/333327383.db2.gz QBWJLHMIXDTCSZ-AWEZNQCLSA-N 2 2 265.401 1.261 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669785 333327385 /nfs/dbraw/zinc/32/73/85/333327385.db2.gz QBWJLHMIXDTCSZ-AWEZNQCLSA-N 2 2 265.401 1.261 20 30 CDEDLP 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C[C@@]1([NH3+])CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001205288652 939876946 /nfs/dbraw/zinc/87/69/46/939876946.db2.gz MWBNNSDVVAAJHX-MRXNPFEDSA-N 2 2 283.379 1.909 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208679369 940369780 /nfs/dbraw/zinc/36/97/80/940369780.db2.gz LLXGHNIHPHWSKY-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985681 940418987 /nfs/dbraw/zinc/41/89/87/940418987.db2.gz WVIWXDHYJTVJCO-HZSPNIEDSA-N 2 2 276.384 1.457 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985681 940418990 /nfs/dbraw/zinc/41/89/90/940418990.db2.gz WVIWXDHYJTVJCO-HZSPNIEDSA-N 2 2 276.384 1.457 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208994568 940420217 /nfs/dbraw/zinc/42/02/17/940420217.db2.gz BHMLXYMBKZRUDU-QLFBSQMISA-N 2 2 288.395 1.294 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208994568 940420218 /nfs/dbraw/zinc/42/02/18/940420218.db2.gz BHMLXYMBKZRUDU-QLFBSQMISA-N 2 2 288.395 1.294 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC001276607700 940422671 /nfs/dbraw/zinc/42/26/71/940422671.db2.gz AVLMBCGHLKPRJN-INIZCTEOSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC001276607700 940422673 /nfs/dbraw/zinc/42/26/73/940422673.db2.gz AVLMBCGHLKPRJN-INIZCTEOSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC001276607700 940422675 /nfs/dbraw/zinc/42/26/75/940422675.db2.gz AVLMBCGHLKPRJN-INIZCTEOSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC001276607700 940422677 /nfs/dbraw/zinc/42/26/77/940422677.db2.gz AVLMBCGHLKPRJN-INIZCTEOSA-N 2 2 272.396 1.814 20 30 CDEDLP N#Cc1sccc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218624209 941246748 /nfs/dbraw/zinc/24/67/48/941246748.db2.gz IAQZRPZFCLELAR-LLVKDONJSA-N 2 2 286.360 1.831 20 30 CDEDLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1cccc(C#N)c1 ZINC001220047216 941407467 /nfs/dbraw/zinc/40/74/67/941407467.db2.gz VTIUPFAAKVFGKG-HZMBPMFUSA-N 2 2 283.335 1.029 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222106017 941567057 /nfs/dbraw/zinc/56/70/57/941567057.db2.gz ZGVYVYLLDCEURG-AWEZNQCLSA-N 2 2 276.384 1.430 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230352582 942610169 /nfs/dbraw/zinc/61/01/69/942610169.db2.gz GSEPVOWTUXYIGV-ZIAGYGMSSA-N 2 2 276.384 1.476 20 30 CDEDLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C#N ZINC000700712600 944369434 /nfs/dbraw/zinc/36/94/34/944369434.db2.gz HELWONDGZZUKIN-IYBDPMFKSA-N 2 2 255.365 1.860 20 30 CDEDLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C#N ZINC000700712600 944369443 /nfs/dbraw/zinc/36/94/43/944369443.db2.gz HELWONDGZZUKIN-IYBDPMFKSA-N 2 2 255.365 1.860 20 30 CDEDLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C#N ZINC000700712600 944369452 /nfs/dbraw/zinc/36/94/52/944369452.db2.gz HELWONDGZZUKIN-IYBDPMFKSA-N 2 2 255.365 1.860 20 30 CDEDLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C#N ZINC000700712600 944369457 /nfs/dbraw/zinc/36/94/57/944369457.db2.gz HELWONDGZZUKIN-IYBDPMFKSA-N 2 2 255.365 1.860 20 30 CDEDLP COCC[N@H+]([C@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254665779 947581182 /nfs/dbraw/zinc/58/11/82/947581182.db2.gz PZGNYOCWCMTLPX-ZFWWWQNUSA-N 2 2 265.401 1.721 20 30 CDEDLP COCC[N@@H+]([C@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254665779 947581190 /nfs/dbraw/zinc/58/11/90/947581190.db2.gz PZGNYOCWCMTLPX-ZFWWWQNUSA-N 2 2 265.401 1.721 20 30 CDEDLP C[N@H+]1CC[C@H](NC(=[NH2+])c2ccc3ccccc3n2)C1 ZINC001255424465 947875056 /nfs/dbraw/zinc/87/50/56/947875056.db2.gz VJRVZMFRXHQLTA-LBPRGKRZSA-N 2 2 254.337 1.644 20 30 CDEDLP C=CCOC[C@@H](O)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001252467403 951313786 /nfs/dbraw/zinc/31/37/86/951313786.db2.gz YBVRCTKVNMZBSO-HNNXBMFYSA-N 2 2 270.417 1.356 20 30 CDEDLP C=C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001253601579 951989386 /nfs/dbraw/zinc/98/93/86/951989386.db2.gz SMCPSOBZPRESBJ-MRXNPFEDSA-N 2 2 290.407 1.796 20 30 CDEDLP C=C[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001253607447 951992167 /nfs/dbraw/zinc/99/21/67/951992167.db2.gz XDLNOHMQKJMCMZ-MRXNPFEDSA-N 2 2 290.407 1.796 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425940344 957646036 /nfs/dbraw/zinc/64/60/36/957646036.db2.gz AGBVNAGBHXARCS-VXGBXAGGSA-N 2 2 296.802 1.579 20 30 CDEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)C#N ZINC001318925429 958307994 /nfs/dbraw/zinc/30/79/94/958307994.db2.gz VQUZEDFEAWVTCE-VIFPVBQESA-N 2 2 255.281 1.674 20 30 CDEDLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001418288141 973728312 /nfs/dbraw/zinc/72/83/12/973728312.db2.gz YXFHJTRKYGFPDT-GFCCVEGCSA-N 2 2 297.362 1.118 20 30 CDEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401645258 975757696 /nfs/dbraw/zinc/75/76/96/975757696.db2.gz PIDXYDPUFJHMGP-GFCCVEGCSA-N 2 2 297.362 1.118 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390814649 976530727 /nfs/dbraw/zinc/53/07/27/976530727.db2.gz ZFMUBAZOKLUZEO-GFCCVEGCSA-N 2 2 275.824 1.373 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390814649 976530739 /nfs/dbraw/zinc/53/07/39/976530739.db2.gz ZFMUBAZOKLUZEO-GFCCVEGCSA-N 2 2 275.824 1.373 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132533583 1163356937 /nfs/dbraw/zinc/35/69/37/1163356937.db2.gz PACQXUNDIZSMBX-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132533583 1163356943 /nfs/dbraw/zinc/35/69/43/1163356943.db2.gz PACQXUNDIZSMBX-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000311151213 342145684 /nfs/dbraw/zinc/14/56/84/342145684.db2.gz NCILOPBQRWUPRG-CYBMUJFWSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000311151213 342145685 /nfs/dbraw/zinc/14/56/85/342145685.db2.gz NCILOPBQRWUPRG-CYBMUJFWSA-N 2 2 253.390 1.313 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625548197 342183991 /nfs/dbraw/zinc/18/39/91/342183991.db2.gz AFCSQLAPGQAPHA-OAHLLOKOSA-N 2 2 268.401 1.110 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594614052 342928004 /nfs/dbraw/zinc/92/80/04/342928004.db2.gz YCPNDVNIJGJQTB-GXTWGEPZSA-N 2 2 251.374 1.379 20 30 CDEDLP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000595099941 343004205 /nfs/dbraw/zinc/00/42/05/343004205.db2.gz HAWHJLYGHWBFLE-KBMXLJTQSA-N 2 2 277.412 1.912 20 30 CDEDLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCOCC1 ZINC000442789730 362091433 /nfs/dbraw/zinc/09/14/33/362091433.db2.gz ZAFORYSFTIVWDP-QWHCGFSZSA-N 2 2 251.374 1.379 20 30 CDEDLP Cc1cc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000596334537 343297411 /nfs/dbraw/zinc/29/74/11/343297411.db2.gz BJCPHMFUPNCVEL-CYBMUJFWSA-N 2 2 258.369 1.968 20 30 CDEDLP Cc1cc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000596334537 343297413 /nfs/dbraw/zinc/29/74/13/343297413.db2.gz BJCPHMFUPNCVEL-CYBMUJFWSA-N 2 2 258.369 1.968 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000598597058 343841066 /nfs/dbraw/zinc/84/10/66/343841066.db2.gz UXCPMPOGECKDTP-STQMWFEESA-N 2 2 276.384 1.890 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000598597058 343841067 /nfs/dbraw/zinc/84/10/67/343841067.db2.gz UXCPMPOGECKDTP-STQMWFEESA-N 2 2 276.384 1.890 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000598723274 343884914 /nfs/dbraw/zinc/88/49/14/343884914.db2.gz FPTMSJOWWIBZRX-GJZGRUSLSA-N 2 2 279.428 1.894 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000598723274 343884915 /nfs/dbraw/zinc/88/49/15/343884915.db2.gz FPTMSJOWWIBZRX-GJZGRUSLSA-N 2 2 279.428 1.894 20 30 CDEDLP Cc1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)ccc1C#N ZINC000599010204 343939505 /nfs/dbraw/zinc/93/95/05/343939505.db2.gz SICKNXYGPNSZCI-OAHLLOKOSA-N 2 2 259.353 1.023 20 30 CDEDLP C[NH+]=C(NCCCc1[nH]c2ccccc2[nH+]1)NC1CC1 ZINC000264085559 362962806 /nfs/dbraw/zinc/96/28/06/362962806.db2.gz VIVRIQXPESSIEN-UHFFFAOYSA-N 2 2 271.368 1.823 20 30 CDEDLP COCC[N@@H+](CCC#N)CCCCn1cc[nH+]c1C ZINC000125541143 351452162 /nfs/dbraw/zinc/45/21/62/351452162.db2.gz TZYWRTZIHRZLKB-UHFFFAOYSA-N 2 2 264.373 1.834 20 30 CDEDLP COCC[N@H+](CCC#N)CCCCn1cc[nH+]c1C ZINC000125541143 351452169 /nfs/dbraw/zinc/45/21/69/351452169.db2.gz TZYWRTZIHRZLKB-UHFFFAOYSA-N 2 2 264.373 1.834 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152382217 188014192 /nfs/dbraw/zinc/01/41/92/188014192.db2.gz VLYAXKYPEZDXAT-HNNXBMFYSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152382217 188014193 /nfs/dbraw/zinc/01/41/93/188014193.db2.gz VLYAXKYPEZDXAT-HNNXBMFYSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152382217 188014195 /nfs/dbraw/zinc/01/41/95/188014195.db2.gz VLYAXKYPEZDXAT-HNNXBMFYSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152382217 188014196 /nfs/dbraw/zinc/01/41/96/188014196.db2.gz VLYAXKYPEZDXAT-HNNXBMFYSA-N 2 2 279.428 1.461 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc[nH+]c2ccncc12 ZINC000292699517 198380616 /nfs/dbraw/zinc/38/06/16/198380616.db2.gz FXPIUCVVFMNAMU-UHFFFAOYSA-N 2 2 254.337 1.997 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCN3CCC3)CC2)cc1 ZINC000344274308 356976328 /nfs/dbraw/zinc/97/63/28/356976328.db2.gz BDFBUZQVUKLWOC-UHFFFAOYSA-N 2 2 298.434 1.818 20 30 CDEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000566092714 357241897 /nfs/dbraw/zinc/24/18/97/357241897.db2.gz KKAQAIOVYHVHQD-NVXWUHKLSA-N 2 2 285.391 1.904 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000058064565 357376753 /nfs/dbraw/zinc/37/67/53/357376753.db2.gz MLWUUSFOGFVMID-CYBMUJFWSA-N 2 2 276.384 1.897 20 30 CDEDLP C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)Cn1cc[nH+]c1 ZINC000190894717 358099206 /nfs/dbraw/zinc/09/92/06/358099206.db2.gz PLFTWWQPVFQUDK-GFCCVEGCSA-N 2 2 257.341 1.519 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000435745877 361440968 /nfs/dbraw/zinc/44/09/68/361440968.db2.gz RBJADPOAEMLGJR-XGUBFFRZSA-N 2 2 252.402 1.897 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000435745877 361440973 /nfs/dbraw/zinc/44/09/73/361440973.db2.gz RBJADPOAEMLGJR-XGUBFFRZSA-N 2 2 252.402 1.897 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)CC1 ZINC000638525266 370752954 /nfs/dbraw/zinc/75/29/54/370752954.db2.gz WLJMMZMJQUFJNH-BRWVUGGUSA-N 2 2 294.439 1.953 20 30 CDEDLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329214245 227355701 /nfs/dbraw/zinc/35/57/01/227355701.db2.gz KWFWYLZUXDCJLW-NSHDSACASA-N 2 2 262.357 1.783 20 30 CDEDLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329214245 227355707 /nfs/dbraw/zinc/35/57/07/227355707.db2.gz KWFWYLZUXDCJLW-NSHDSACASA-N 2 2 262.357 1.783 20 30 CDEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000330884348 203350192 /nfs/dbraw/zinc/35/01/92/203350192.db2.gz PNSDMYXTACUIKM-IUODEOHRSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000330884348 203350196 /nfs/dbraw/zinc/35/01/96/203350196.db2.gz PNSDMYXTACUIKM-IUODEOHRSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000330884040 203350679 /nfs/dbraw/zinc/35/06/79/203350679.db2.gz PJJNONGDTKNALN-XHDPSFHLSA-N 2 2 277.343 1.415 20 30 CDEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000330884040 203350685 /nfs/dbraw/zinc/35/06/85/203350685.db2.gz PJJNONGDTKNALN-XHDPSFHLSA-N 2 2 277.343 1.415 20 30 CDEDLP C=CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631031917 374594752 /nfs/dbraw/zinc/59/47/52/374594752.db2.gz NNZXGRHRKVFSQD-UHFFFAOYSA-N 2 2 276.380 1.673 20 30 CDEDLP C=CCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131294052 375394893 /nfs/dbraw/zinc/39/48/93/375394893.db2.gz AICCMNRBYLEQNC-CQSZACIVSA-N 2 2 265.401 1.367 20 30 CDEDLP C=CCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131294052 375394896 /nfs/dbraw/zinc/39/48/96/375394896.db2.gz AICCMNRBYLEQNC-CQSZACIVSA-N 2 2 265.401 1.367 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000328852547 375986663 /nfs/dbraw/zinc/98/66/63/375986663.db2.gz IVKFGQDTRMWHLR-GFCCVEGCSA-N 2 2 291.399 1.218 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000264349459 190104829 /nfs/dbraw/zinc/10/48/29/190104829.db2.gz AVPCGGKNAKAADT-ZDUSSCGKSA-N 2 2 291.399 1.221 20 30 CDEDLP C[NH+](C)C1CC[NH+](CCNc2ncccc2C#N)CC1 ZINC000267196572 190310229 /nfs/dbraw/zinc/31/02/29/190310229.db2.gz NRINZLAIZBRMEW-UHFFFAOYSA-N 2 2 273.384 1.391 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266915703 391183694 /nfs/dbraw/zinc/18/36/94/391183694.db2.gz KKTOWTXXVRVSRK-CHWSQXEVSA-N 2 2 289.383 1.350 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266915703 391183698 /nfs/dbraw/zinc/18/36/98/391183698.db2.gz KKTOWTXXVRVSRK-CHWSQXEVSA-N 2 2 289.383 1.350 20 30 CDEDLP C=CCOCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000339055335 391247149 /nfs/dbraw/zinc/24/71/49/391247149.db2.gz IUKJBDWWVXLQQU-AWEZNQCLSA-N 2 2 263.385 1.877 20 30 CDEDLP C=CCOCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000339055335 391247152 /nfs/dbraw/zinc/24/71/52/391247152.db2.gz IUKJBDWWVXLQQU-AWEZNQCLSA-N 2 2 263.385 1.877 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000282080615 391671707 /nfs/dbraw/zinc/67/17/07/391671707.db2.gz UJYVPFGOOGMANE-CQSZACIVSA-N 2 2 274.368 1.307 20 30 CDEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])NC2CCCCCC2)n1C ZINC000261992374 391751313 /nfs/dbraw/zinc/75/13/13/391751313.db2.gz MNLWOYJJAPVXGE-UHFFFAOYSA-N 2 2 292.431 1.613 20 30 CDEDLP CN1CC[NH+]=C1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000262644697 391805958 /nfs/dbraw/zinc/80/59/58/391805958.db2.gz IUKXTOXYHSAJJO-GFCCVEGCSA-N 2 2 262.357 1.308 20 30 CDEDLP C[C@H]1C[NH+]=C(NCc2ccccc2-n2cc[nH+]c2)N1 ZINC000262683679 391812921 /nfs/dbraw/zinc/81/29/21/391812921.db2.gz XKYBVRJPJOSEJB-NSHDSACASA-N 2 2 255.325 1.310 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C#N ZINC000261701522 140377434 /nfs/dbraw/zinc/37/74/34/140377434.db2.gz IOHYKEKQPVGICM-HUUCEWRRSA-N 2 2 271.364 1.608 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C#N ZINC000261701522 140377435 /nfs/dbraw/zinc/37/74/35/140377435.db2.gz IOHYKEKQPVGICM-HUUCEWRRSA-N 2 2 271.364 1.608 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000104178825 261289166 /nfs/dbraw/zinc/28/91/66/261289166.db2.gz TUVCGQPDUACTRD-UHFFFAOYSA-N 2 2 287.342 1.992 20 30 CDEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425356929 264130852 /nfs/dbraw/zinc/13/08/52/264130852.db2.gz RCVZKNZXNQFPIZ-DZGCQCFKSA-N 2 2 293.411 1.686 20 30 CDEDLP C=CCN(Cc1cccs1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653060529 424195271 /nfs/dbraw/zinc/19/52/71/424195271.db2.gz GYYBWCULHRUPNI-ZDUSSCGKSA-N 2 2 281.425 1.542 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536368549 327232481 /nfs/dbraw/zinc/23/24/81/327232481.db2.gz FGIUZVHSXDZPOM-CYBMUJFWSA-N 2 2 288.395 1.649 20 30 CDEDLP CN(C)C(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000170910337 329072117 /nfs/dbraw/zinc/07/21/17/329072117.db2.gz JUPUMZNPBXJVSL-UHFFFAOYSA-N 2 2 261.304 1.388 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000424133300 330265549 /nfs/dbraw/zinc/26/55/49/330265549.db2.gz LTCFDMMAUUCOLL-CQSZACIVSA-N 2 2 283.335 1.832 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459408465 331280259 /nfs/dbraw/zinc/28/02/59/331280259.db2.gz WQWXQRSTEHVPMW-UHFFFAOYSA-N 3 2 263.429 1.853 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000490759751 332113059 /nfs/dbraw/zinc/11/30/59/332113059.db2.gz GCJLKBADFDGSCG-HZPDHXFCSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000490759751 332113061 /nfs/dbraw/zinc/11/30/61/332113061.db2.gz GCJLKBADFDGSCG-HZPDHXFCSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000491040508 332141911 /nfs/dbraw/zinc/14/19/11/332141911.db2.gz UJEWTEJESSSWBX-HRCADAONSA-N 2 2 291.439 1.178 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000491750246 332326793 /nfs/dbraw/zinc/32/67/93/332326793.db2.gz WCRUMANVDRAKGO-CYBMUJFWSA-N 2 2 261.369 1.696 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000491750246 332326794 /nfs/dbraw/zinc/32/67/94/332326794.db2.gz WCRUMANVDRAKGO-CYBMUJFWSA-N 2 2 261.369 1.696 20 30 CDEDLP CCC#C[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000677802474 482786902 /nfs/dbraw/zinc/78/69/02/482786902.db2.gz LINNVNOGSYTDHL-GJZGRUSLSA-N 2 2 250.386 1.442 20 30 CDEDLP CCC#C[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000677802474 482786904 /nfs/dbraw/zinc/78/69/04/482786904.db2.gz LINNVNOGSYTDHL-GJZGRUSLSA-N 2 2 250.386 1.442 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000675828621 483373397 /nfs/dbraw/zinc/37/33/97/483373397.db2.gz VOOVYMPPSHZWIU-CQSZACIVSA-N 3 2 265.445 1.957 20 30 CDEDLP CC(=[NH+]NC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(N)cc1 ZINC000753935719 576866771 /nfs/dbraw/zinc/86/67/71/576866771.db2.gz PECWFOSFYMTYMK-ZIAGYGMSSA-N 2 2 271.368 1.853 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@@H]2CCOC2)cc1 ZINC000747838729 576886667 /nfs/dbraw/zinc/88/66/67/576886667.db2.gz IPBGPKISEJSLJT-CYBMUJFWSA-N 2 2 277.368 1.422 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000957761449 613316557 /nfs/dbraw/zinc/31/65/57/613316557.db2.gz NCLXMDRIYOGPFV-HUUCEWRRSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980192125 613820931 /nfs/dbraw/zinc/82/09/31/613820931.db2.gz FMVUZYVNPJNWGL-IHRRRGAJSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980192125 613820933 /nfs/dbraw/zinc/82/09/33/613820933.db2.gz FMVUZYVNPJNWGL-IHRRRGAJSA-N 2 2 288.395 1.355 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000783292887 617592580 /nfs/dbraw/zinc/59/25/80/617592580.db2.gz CVQKRSJUQOMJOC-UKRRQHHQSA-N 2 2 256.353 1.670 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000783292887 617592585 /nfs/dbraw/zinc/59/25/85/617592585.db2.gz CVQKRSJUQOMJOC-UKRRQHHQSA-N 2 2 256.353 1.670 20 30 CDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000926501278 617914441 /nfs/dbraw/zinc/91/44/41/617914441.db2.gz JJHJQCUGCFLGGW-KBPBESRZSA-N 2 2 267.417 1.751 20 30 CDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000926501278 617914450 /nfs/dbraw/zinc/91/44/50/617914450.db2.gz JJHJQCUGCFLGGW-KBPBESRZSA-N 2 2 267.417 1.751 20 30 CDEDLP N#CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929719327 630712315 /nfs/dbraw/zinc/71/23/15/630712315.db2.gz NZSQOOLPEXIBJU-UONOGXRCSA-N 2 2 251.374 1.069 20 30 CDEDLP N#CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929719327 630712317 /nfs/dbraw/zinc/71/23/17/630712317.db2.gz NZSQOOLPEXIBJU-UONOGXRCSA-N 2 2 251.374 1.069 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032945083 683072411 /nfs/dbraw/zinc/07/24/11/683072411.db2.gz NLQVHIABONXPCH-QWHCGFSZSA-N 2 2 285.819 1.366 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032945083 683072412 /nfs/dbraw/zinc/07/24/12/683072412.db2.gz NLQVHIABONXPCH-QWHCGFSZSA-N 2 2 285.819 1.366 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032945083 683072415 /nfs/dbraw/zinc/07/24/15/683072415.db2.gz NLQVHIABONXPCH-QWHCGFSZSA-N 2 2 285.819 1.366 20 30 CDEDLP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000862548436 681233352 /nfs/dbraw/zinc/23/33/52/681233352.db2.gz GFLYZGOOQGEFSL-GDBMZVCRSA-N 2 2 280.412 1.258 20 30 CDEDLP C=CCN1CCN(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000840026251 679801480 /nfs/dbraw/zinc/80/14/80/679801480.db2.gz FKSOLWDRKSMICD-LSDHHAIUSA-N 2 2 292.427 1.284 20 30 CDEDLP C=CCN1CCN(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000840026251 679801482 /nfs/dbraw/zinc/80/14/82/679801482.db2.gz FKSOLWDRKSMICD-LSDHHAIUSA-N 2 2 292.427 1.284 20 30 CDEDLP C=CCN1CCN(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000840026251 679801483 /nfs/dbraw/zinc/80/14/83/679801483.db2.gz FKSOLWDRKSMICD-LSDHHAIUSA-N 2 2 292.427 1.284 20 30 CDEDLP C=CCN1CCN(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000840026251 679801485 /nfs/dbraw/zinc/80/14/85/679801485.db2.gz FKSOLWDRKSMICD-LSDHHAIUSA-N 2 2 292.427 1.284 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001044034374 679825112 /nfs/dbraw/zinc/82/51/12/679825112.db2.gz MQSHEYRAQXPAIO-ZBFHGGJFSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001044034374 679825113 /nfs/dbraw/zinc/82/51/13/679825113.db2.gz MQSHEYRAQXPAIO-ZBFHGGJFSA-N 2 2 289.423 1.169 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001020316298 679852647 /nfs/dbraw/zinc/85/26/47/679852647.db2.gz KLSGSYXDXRZXET-JHJVBQTASA-N 2 2 288.395 1.246 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001020316298 679852648 /nfs/dbraw/zinc/85/26/48/679852648.db2.gz KLSGSYXDXRZXET-JHJVBQTASA-N 2 2 288.395 1.246 20 30 CDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071653119 681677102 /nfs/dbraw/zinc/67/71/02/681677102.db2.gz SYMNXWZHVVIOFN-DZGCQCFKSA-N 2 2 296.374 1.550 20 30 CDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071653119 681677118 /nfs/dbraw/zinc/67/71/18/681677118.db2.gz SYMNXWZHVVIOFN-DZGCQCFKSA-N 2 2 296.374 1.550 20 30 CDEDLP C#CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)c1ccccc1 ZINC000846844522 681813971 /nfs/dbraw/zinc/81/39/71/681813971.db2.gz NRASPUOOXVBUJU-SJORKVTESA-N 2 2 290.407 1.280 20 30 CDEDLP C#CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)c1ccccc1 ZINC000846844522 681813973 /nfs/dbraw/zinc/81/39/73/681813973.db2.gz NRASPUOOXVBUJU-SJORKVTESA-N 2 2 290.407 1.280 20 30 CDEDLP CN1c2ccccc2C(C)(C)C1=CC=[NH+]NC(N)=[NH2+] ZINC000864537418 681847728 /nfs/dbraw/zinc/84/77/28/681847728.db2.gz HTZOEMWITLWQLL-DZQWHFOVSA-N 2 2 257.341 1.767 20 30 CDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001028144797 682086326 /nfs/dbraw/zinc/08/63/26/682086326.db2.gz CMEMMDBPSGIDPL-BFHYXJOUSA-N 2 2 288.395 1.290 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=[NH2+])N2CCC(C)CC2)C1 ZINC000887323795 682199493 /nfs/dbraw/zinc/19/94/93/682199493.db2.gz HVLXXIYYHRUKHG-CQSZACIVSA-N 2 2 262.401 1.340 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=[NH2+])N2CCC(C)CC2)C1 ZINC000887323795 682199497 /nfs/dbraw/zinc/19/94/97/682199497.db2.gz HVLXXIYYHRUKHG-CQSZACIVSA-N 2 2 262.401 1.340 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC=C)C1 ZINC001034246596 682307112 /nfs/dbraw/zinc/30/71/12/682307112.db2.gz GYJOSECAUIIVKH-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC=C)C1 ZINC001034246596 682307119 /nfs/dbraw/zinc/30/71/19/682307119.db2.gz GYJOSECAUIIVKH-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC=C)C1 ZINC001034246596 682307125 /nfs/dbraw/zinc/30/71/25/682307125.db2.gz GYJOSECAUIIVKH-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC=C)C1 ZINC001034246596 682307130 /nfs/dbraw/zinc/30/71/30/682307130.db2.gz GYJOSECAUIIVKH-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001054721894 682506256 /nfs/dbraw/zinc/50/62/56/682506256.db2.gz OSBAPHWAHLBMBD-OCCSQVGLSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001054721894 682506263 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CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC000986419218 683523665 /nfs/dbraw/zinc/52/36/65/683523665.db2.gz NUEWCDYLDGLFQZ-JSGCOSHPSA-N 2 2 289.379 1.398 20 30 CDEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366103 683785614 /nfs/dbraw/zinc/78/56/14/683785614.db2.gz NFIOHJUHXQDQMR-AWEZNQCLSA-N 2 2 289.379 1.121 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366103 683785621 /nfs/dbraw/zinc/78/56/21/683785621.db2.gz NFIOHJUHXQDQMR-AWEZNQCLSA-N 2 2 289.379 1.121 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H](CO)C3)CC2)cc1 ZINC000923005281 683860404 /nfs/dbraw/zinc/86/04/04/683860404.db2.gz QOKMWCIAWXPGDZ-SAABIXHNSA-N 2 2 299.418 1.883 20 30 CDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422514 1158707041 /nfs/dbraw/zinc/70/70/41/1158707041.db2.gz RYELQDUGINSLPE-CYBMUJFWSA-N 2 2 288.395 1.098 20 30 CDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422514 1158707048 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C=C(C)C[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130001426 1162516421 /nfs/dbraw/zinc/51/64/21/1162516421.db2.gz OABBCVACQBODDC-AWEZNQCLSA-N 2 2 278.400 1.752 20 30 CDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001126432011 1160075906 /nfs/dbraw/zinc/07/59/06/1160075906.db2.gz MNNWJFIYPWDJMM-UHFFFAOYSA-N 2 2 297.362 1.120 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679754 1160679764 /nfs/dbraw/zinc/67/97/64/1160679764.db2.gz XKHYCGUZQVBWKB-NFAWXSAZSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679754 1160679768 /nfs/dbraw/zinc/67/97/68/1160679768.db2.gz XKHYCGUZQVBWKB-NFAWXSAZSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086194843 1161965961 /nfs/dbraw/zinc/96/59/61/1161965961.db2.gz SPLZQEIQZSBCEQ-FRRDWIJNSA-N 2 2 288.395 1.500 20 30 CDEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001733923857 1183569145 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CDEDLP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753816054 1185343027 /nfs/dbraw/zinc/34/30/27/1185343027.db2.gz QOGORKAJHVAMAV-KBPBESRZSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001753857675 1185365662 /nfs/dbraw/zinc/36/56/62/1185365662.db2.gz XFGHTWRYLFXENG-ZDUSSCGKSA-N 2 2 276.384 1.022 20 30 CDEDLP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001753857675 1185365666 /nfs/dbraw/zinc/36/56/66/1185365666.db2.gz XFGHTWRYLFXENG-ZDUSSCGKSA-N 2 2 276.384 1.022 20 30 CDEDLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001754492338 1185639727 /nfs/dbraw/zinc/63/97/27/1185639727.db2.gz AKHCLCMPSJQVDU-QGZVFWFLSA-N 2 2 299.418 1.180 20 30 CDEDLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001754492338 1185639729 /nfs/dbraw/zinc/63/97/29/1185639729.db2.gz AKHCLCMPSJQVDU-QGZVFWFLSA-N 2 2 299.418 1.180 20 30 CDEDLP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001754837322 1185744111 /nfs/dbraw/zinc/74/41/11/1185744111.db2.gz GXNWTGVPTQAZNY-UHFFFAOYSA-N 2 2 298.390 1.757 20 30 CDEDLP C=CC[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001755039297 1185796750 /nfs/dbraw/zinc/79/67/50/1185796750.db2.gz OMRYPEDRGZAXRZ-UHFFFAOYSA-N 2 2 291.395 1.599 20 30 CDEDLP C=CC[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001755039297 1185796756 /nfs/dbraw/zinc/79/67/56/1185796756.db2.gz OMRYPEDRGZAXRZ-UHFFFAOYSA-N 2 2 291.395 1.599 20 30 CDEDLP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001755236788 1185870351 /nfs/dbraw/zinc/87/03/51/1185870351.db2.gz JCCMGIRGGYLVDW-NEPJUHHUSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001755236788 1185870358 /nfs/dbraw/zinc/87/03/58/1185870358.db2.gz JCCMGIRGGYLVDW-NEPJUHHUSA-N 2 2 264.373 1.401 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106712614 914172829 /nfs/dbraw/zinc/17/28/29/914172829.db2.gz DNKVQWOLGQTEPG-QLFBSQMISA-N 2 2 288.395 1.152 20 30 CDEDLP C=C[C@@H]1C[C@]1([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OCC ZINC001168303981 908945786 /nfs/dbraw/zinc/94/57/86/908945786.db2.gz IHUJUSGVMLTTKR-UWLZSVRSSA-N 2 2 280.412 1.957 20 30 CDEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089620029 915004270 /nfs/dbraw/zinc/00/42/70/915004270.db2.gz ZYHNHGPLMSKFPJ-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089620029 915004279 /nfs/dbraw/zinc/00/42/79/915004279.db2.gz ZYHNHGPLMSKFPJ-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089620029 915004290 /nfs/dbraw/zinc/00/42/90/915004290.db2.gz ZYHNHGPLMSKFPJ-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089620029 915004301 /nfs/dbraw/zinc/00/43/01/915004301.db2.gz ZYHNHGPLMSKFPJ-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220992 917730127 /nfs/dbraw/zinc/73/01/27/917730127.db2.gz TXHJDSOUDXIRLY-CYBMUJFWSA-N 2 2 276.384 1.499 20 30 CDEDLP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001138773036 936565348 /nfs/dbraw/zinc/56/53/48/936565348.db2.gz MQEGUISYFVYSRH-HNNXBMFYSA-N 2 2 273.380 1.972 20 30 CDEDLP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001138773036 936565350 /nfs/dbraw/zinc/56/53/50/936565350.db2.gz MQEGUISYFVYSRH-HNNXBMFYSA-N 2 2 273.380 1.972 20 30 CDEDLP C#CCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202864799 936566125 /nfs/dbraw/zinc/56/61/25/936566125.db2.gz ZURZTXKQUJCNFP-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202864799 936566126 /nfs/dbraw/zinc/56/61/26/936566126.db2.gz ZURZTXKQUJCNFP-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185790132 919752729 /nfs/dbraw/zinc/75/27/29/919752729.db2.gz XWPXWRYLFRRDDB-CABCVRRESA-N 2 2 290.411 1.533 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576079 920085164 /nfs/dbraw/zinc/08/51/64/920085164.db2.gz LCUSRYDKWBCIQR-GFCCVEGCSA-N 2 2 262.357 1.109 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078733807 920420870 /nfs/dbraw/zinc/42/08/70/920420870.db2.gz MFIMUMSWPAYONK-UONOGXRCSA-N 2 2 288.395 1.545 20 30 CDEDLP Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(C)c1C#N ZINC001168735998 921857355 /nfs/dbraw/zinc/85/73/55/921857355.db2.gz JICSYEJITOICBI-UHFFFAOYSA-N 2 2 272.356 1.164 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C#N)cc3[nH]ccc32)CC1 ZINC001168740885 921978584 /nfs/dbraw/zinc/97/85/84/921978584.db2.gz QREOJEGSHOATGA-UHFFFAOYSA-N 2 2 282.351 1.634 20 30 CDEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462218 923697622 /nfs/dbraw/zinc/69/76/22/923697622.db2.gz LZNDSUIKXVJFIJ-AWEZNQCLSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462218 923697626 /nfs/dbraw/zinc/69/76/26/923697626.db2.gz LZNDSUIKXVJFIJ-AWEZNQCLSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193697572 923865956 /nfs/dbraw/zinc/86/59/56/923865956.db2.gz YVLLPVUNMHSYGJ-CYBMUJFWSA-N 2 2 276.384 1.369 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193697572 923865967 /nfs/dbraw/zinc/86/59/67/923865967.db2.gz YVLLPVUNMHSYGJ-CYBMUJFWSA-N 2 2 276.384 1.369 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203240671 924766024 /nfs/dbraw/zinc/76/60/24/924766024.db2.gz PAQVCSATRKAPGK-ZIAGYGMSSA-N 2 2 288.395 1.476 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001085394653 925929839 /nfs/dbraw/zinc/92/98/39/925929839.db2.gz WQICWWDNCPLLTE-ZIAGYGMSSA-N 2 2 276.384 1.166 20 30 CDEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946873 926576757 /nfs/dbraw/zinc/57/67/57/926576757.db2.gz RTQKMQYBXJEKKW-HUUCEWRRSA-N 2 2 262.353 1.145 20 30 CDEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946873 926576764 /nfs/dbraw/zinc/57/67/64/926576764.db2.gz RTQKMQYBXJEKKW-HUUCEWRRSA-N 2 2 262.353 1.145 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135575772 930274975 /nfs/dbraw/zinc/27/49/75/930274975.db2.gz LHYDGUNISIXUIZ-GHMZBOCLSA-N 2 2 250.346 1.011 20 30 CDEDLP C=CCCCCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757494 930400999 /nfs/dbraw/zinc/40/09/99/930400999.db2.gz DRNBXEMAFSIFTO-UHFFFAOYSA-N 2 2 264.373 1.404 20 30 CDEDLP C=CCC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001202699131 930483442 /nfs/dbraw/zinc/48/34/42/930483442.db2.gz GLCJFXSPUXLDLL-AWEZNQCLSA-N 2 2 290.411 1.991 20 30 CDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152345 931714111 /nfs/dbraw/zinc/71/41/11/931714111.db2.gz PAYURDCIUORUMH-CQSZACIVSA-N 2 2 290.411 1.630 20 30 CDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152345 931714115 /nfs/dbraw/zinc/71/41/15/931714115.db2.gz PAYURDCIUORUMH-CQSZACIVSA-N 2 2 290.411 1.630 20 30 CDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422273 937542963 /nfs/dbraw/zinc/54/29/63/937542963.db2.gz KAEUAFGWAYJQPX-CQSZACIVSA-N 2 2 290.411 1.203 20 30 CDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422273 937542965 /nfs/dbraw/zinc/54/29/65/937542965.db2.gz KAEUAFGWAYJQPX-CQSZACIVSA-N 2 2 290.411 1.203 20 30 CDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001111341400 934618005 /nfs/dbraw/zinc/61/80/05/934618005.db2.gz VYAAGUQWRCJIRS-YUELXQCFSA-N 2 2 288.395 1.260 20 30 CDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001111341400 934618010 /nfs/dbraw/zinc/61/80/10/934618010.db2.gz VYAAGUQWRCJIRS-YUELXQCFSA-N 2 2 288.395 1.260 20 30 CDEDLP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001007645141 935388567 /nfs/dbraw/zinc/38/85/67/935388567.db2.gz LRESCBGBGMTFGM-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001007645141 935388575 /nfs/dbraw/zinc/38/85/75/935388575.db2.gz LRESCBGBGMTFGM-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001007645141 935388582 /nfs/dbraw/zinc/38/85/82/935388582.db2.gz LRESCBGBGMTFGM-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001007645141 935388585 /nfs/dbraw/zinc/38/85/85/935388585.db2.gz LRESCBGBGMTFGM-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038778576 935757012 /nfs/dbraw/zinc/75/70/12/935757012.db2.gz GUCUYSSXLOBJNT-HZPDHXFCSA-N 2 2 291.439 1.463 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038778576 935757014 /nfs/dbraw/zinc/75/70/14/935757014.db2.gz GUCUYSSXLOBJNT-HZPDHXFCSA-N 2 2 291.439 1.463 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038778576 935757015 /nfs/dbraw/zinc/75/70/15/935757015.db2.gz GUCUYSSXLOBJNT-HZPDHXFCSA-N 2 2 291.439 1.463 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038778576 935757018 /nfs/dbraw/zinc/75/70/18/935757018.db2.gz GUCUYSSXLOBJNT-HZPDHXFCSA-N 2 2 291.439 1.463 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001122040450 937901280 /nfs/dbraw/zinc/90/12/80/937901280.db2.gz ZYQNRCCNJJOHQH-KGLIPLIRSA-N 2 2 288.395 1.460 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2nccc3ccc(C#N)cc32)CC1 ZINC001157915177 938561914 /nfs/dbraw/zinc/56/19/14/938561914.db2.gz SYORARKLGLQILK-UHFFFAOYSA-N 2 2 294.362 1.701 20 30 CDEDLP N#CC1(c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2)CCC1 ZINC001158204234 938594831 /nfs/dbraw/zinc/59/48/31/938594831.db2.gz OJPRTVJXIWKARI-CYBMUJFWSA-N 2 2 297.362 1.075 20 30 CDEDLP Cc1cc(C#N)cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158271011 938602830 /nfs/dbraw/zinc/60/28/30/938602830.db2.gz XOWZBRWJSHFCBO-AWEZNQCLSA-N 2 2 285.395 1.264 20 30 CDEDLP Cc1cc(C#N)cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158271011 938602831 /nfs/dbraw/zinc/60/28/31/938602831.db2.gz XOWZBRWJSHFCBO-AWEZNQCLSA-N 2 2 285.395 1.264 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160325594 938780401 /nfs/dbraw/zinc/78/04/01/938780401.db2.gz AWWFGTQDBITFLR-GHMZBOCLSA-N 2 2 282.775 1.362 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160325594 938780403 /nfs/dbraw/zinc/78/04/03/938780403.db2.gz AWWFGTQDBITFLR-GHMZBOCLSA-N 2 2 282.775 1.362 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166402593 939607671 /nfs/dbraw/zinc/60/76/71/939607671.db2.gz PWARNSWYSUXCSV-GFCCVEGCSA-N 2 2 276.384 1.502 20 30 CDEDLP CC#CC[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205432999 939890243 /nfs/dbraw/zinc/89/02/43/939890243.db2.gz KHMAEOORNJOCFN-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP CC#CC[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205432999 939890248 /nfs/dbraw/zinc/89/02/48/939890248.db2.gz KHMAEOORNJOCFN-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C#N)n(C)c3)C[C@@H]2C1 ZINC001207110482 940151985 /nfs/dbraw/zinc/15/19/85/940151985.db2.gz OFMWVLJHMSILPF-GJZGRUSLSA-N 2 2 272.396 1.670 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924647 940263267 /nfs/dbraw/zinc/26/32/67/940263267.db2.gz PXRIFEASSLBRDO-AWEZNQCLSA-N 2 2 290.411 1.889 20 30 CDEDLP C=C1CC=C(F)C=C1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220797066 941473342 /nfs/dbraw/zinc/47/33/42/941473342.db2.gz IMBJZZCNYVMYQU-LLVKDONJSA-N 2 2 262.288 1.093 20 30 CDEDLP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]CCC#N)(C1)CCC2 ZINC001277939437 944134543 /nfs/dbraw/zinc/13/45/43/944134543.db2.gz SCDRSCIJMWCLEV-CABCVRRESA-N 2 2 264.417 1.486 20 30 CDEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001245987197 947880723 /nfs/dbraw/zinc/88/07/23/947880723.db2.gz XRIWCQAVDRQPKN-ZJIFWQFVSA-N 2 2 284.444 1.674 20 30 CDEDLP C=CCOC[C@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001252488022 951354727 /nfs/dbraw/zinc/35/47/27/951354727.db2.gz DPWGVHUZRHNIHN-OAHLLOKOSA-N 2 2 291.395 1.204 20 30 CDEDLP C#Cc1ccc(C[NH2+]C[C@H](O)C[NH+](CC)CC)cc1 ZINC001253207822 951806144 /nfs/dbraw/zinc/80/61/44/951806144.db2.gz KPQOHPPKWPOLMO-INIZCTEOSA-N 2 2 260.381 1.460 20 30 CDEDLP C[C@@H](C#N)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325359628 953859555 /nfs/dbraw/zinc/85/95/55/953859555.db2.gz HTXDBQPDFDZQQU-ZDUSSCGKSA-N 2 2 290.386 1.827 20 30 CDEDLP Cn1c[nH+]cc1C1CC[NH+](CCOCCC#N)CC1 ZINC001308165789 956482995 /nfs/dbraw/zinc/48/29/95/956482995.db2.gz DYTXLCULTOKJOH-UHFFFAOYSA-N 2 2 262.357 1.530 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001419908870 962221639 /nfs/dbraw/zinc/22/16/39/962221639.db2.gz UNGUBEITJWOVTN-LLVKDONJSA-N 2 2 284.791 1.200 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001442535960 965103903 /nfs/dbraw/zinc/10/39/03/965103903.db2.gz QECROKLJIGLAAL-UHFFFAOYSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001442535960 965103907 /nfs/dbraw/zinc/10/39/07/965103907.db2.gz QECROKLJIGLAAL-UHFFFAOYSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001497997750 973603626 /nfs/dbraw/zinc/60/36/26/973603626.db2.gz ZULPMVXTIAJQNP-GFCCVEGCSA-N 2 2 284.791 1.510 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)C[NH+](C)C1CCC1 ZINC001377310663 974970248 /nfs/dbraw/zinc/97/02/48/974970248.db2.gz MSTROSNCWIVYDK-UHFFFAOYSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)C[NH+](C)C1CCC1 ZINC001377310663 974970256 /nfs/dbraw/zinc/97/02/56/974970256.db2.gz MSTROSNCWIVYDK-UHFFFAOYSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001377310663 974970260 /nfs/dbraw/zinc/97/02/60/974970260.db2.gz MSTROSNCWIVYDK-UHFFFAOYSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001377310663 974970268 /nfs/dbraw/zinc/97/02/68/974970268.db2.gz MSTROSNCWIVYDK-UHFFFAOYSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001399906916 976735527 /nfs/dbraw/zinc/73/55/27/976735527.db2.gz RLKQUXSBAJNXNN-STQMWFEESA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001399906916 976735536 /nfs/dbraw/zinc/73/55/36/976735536.db2.gz RLKQUXSBAJNXNN-STQMWFEESA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001391774247 977092067 /nfs/dbraw/zinc/09/20/67/977092067.db2.gz YVIMXCOVMWDHDP-UHFFFAOYSA-N 2 2 296.802 1.723 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001403716616 977160160 /nfs/dbraw/zinc/16/01/60/977160160.db2.gz JEZKQBOFGRQARG-UHFFFAOYSA-N 2 2 298.818 1.772 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001403716616 977160166 /nfs/dbraw/zinc/16/01/66/977160166.db2.gz JEZKQBOFGRQARG-UHFFFAOYSA-N 2 2 298.818 1.772 20 30 CDEDLP CC[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000593461107 342803312 /nfs/dbraw/zinc/80/33/12/342803312.db2.gz HSNGJAYCOGUDQH-UKRRQHHQSA-N 2 2 292.427 1.163 20 30 CDEDLP CC[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000593461107 342803314 /nfs/dbraw/zinc/80/33/14/342803314.db2.gz HSNGJAYCOGUDQH-UKRRQHHQSA-N 2 2 292.427 1.163 20 30 CDEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594614058 342927865 /nfs/dbraw/zinc/92/78/65/342927865.db2.gz YCPNDVNIJGJQTB-TZMCWYRMSA-N 2 2 251.374 1.379 20 30 CDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598715319 343881025 /nfs/dbraw/zinc/88/10/25/343881025.db2.gz OGPPYNDSJUEQNA-NWDGAFQWSA-N 2 2 250.346 1.162 20 30 CDEDLP [NH2+]=C(NCCCn1cc[nH+]c1)N[C@H]1CCOc2ccccc21 ZINC000083029562 344366180 /nfs/dbraw/zinc/36/61/80/344366180.db2.gz ZQBRUMBMAHVYAR-AWEZNQCLSA-N 2 2 299.378 1.701 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602611969 344494778 /nfs/dbraw/zinc/49/47/78/344494778.db2.gz OGBZHFKTEFMASD-LBPRGKRZSA-N 2 2 253.390 1.504 20 30 CDEDLP CC(C)(O)C[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000602644090 344513355 /nfs/dbraw/zinc/51/33/55/344513355.db2.gz URHCGTOOJNRQAB-UHFFFAOYSA-N 2 2 251.374 1.115 20 30 CDEDLP CCCNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264067345 362956181 /nfs/dbraw/zinc/95/61/81/362956181.db2.gz BXOMNRCWRCCTQF-UHFFFAOYSA-N 2 2 290.411 1.333 20 30 CDEDLP COCC[N@@H+](CCC#N)CCCn1cc[nH+]c1C ZINC000136404575 363043348 /nfs/dbraw/zinc/04/33/48/363043348.db2.gz JCKLDNXLLHPITO-UHFFFAOYSA-N 2 2 250.346 1.444 20 30 CDEDLP COCC[N@H+](CCC#N)CCCn1cc[nH+]c1C ZINC000136404575 363043353 /nfs/dbraw/zinc/04/33/53/363043353.db2.gz JCKLDNXLLHPITO-UHFFFAOYSA-N 2 2 250.346 1.444 20 30 CDEDLP COc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1C#N ZINC000234912663 358990010 /nfs/dbraw/zinc/99/00/10/358990010.db2.gz HRURVTCOBLATSS-UHFFFAOYSA-N 2 2 256.309 1.553 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000268410237 359361694 /nfs/dbraw/zinc/36/16/94/359361694.db2.gz AOSLDQUWSIXZGZ-AWEZNQCLSA-N 2 2 291.395 1.539 20 30 CDEDLP C#CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260202 189040334 /nfs/dbraw/zinc/04/03/34/189040334.db2.gz DEHKSYXISKFSNS-UHFFFAOYSA-N 2 2 257.381 1.654 20 30 CDEDLP C#CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260202 189040335 /nfs/dbraw/zinc/04/03/35/189040335.db2.gz DEHKSYXISKFSNS-UHFFFAOYSA-N 2 2 257.381 1.654 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247686444 361156511 /nfs/dbraw/zinc/15/65/11/361156511.db2.gz VATGQBBTCZACAO-KGLIPLIRSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247686444 361156515 /nfs/dbraw/zinc/15/65/15/361156515.db2.gz VATGQBBTCZACAO-KGLIPLIRSA-N 2 2 267.417 1.341 20 30 CDEDLP C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000329321901 361478575 /nfs/dbraw/zinc/47/85/75/361478575.db2.gz UOLXFDHFGLKZEU-LBPRGKRZSA-N 2 2 289.383 1.263 20 30 CDEDLP C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)C1=CC[N@@H+](C)CC1 ZINC000329321901 361478577 /nfs/dbraw/zinc/47/85/77/361478577.db2.gz UOLXFDHFGLKZEU-LBPRGKRZSA-N 2 2 289.383 1.263 20 30 CDEDLP C[C@H]1C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000515060496 374115700 /nfs/dbraw/zinc/11/57/00/374115700.db2.gz MCSXHBFALJQHMD-SMDDNHRTSA-N 2 2 284.367 1.173 20 30 CDEDLP C[C@H]1C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1C ZINC000515060496 374115703 /nfs/dbraw/zinc/11/57/03/374115703.db2.gz MCSXHBFALJQHMD-SMDDNHRTSA-N 2 2 284.367 1.173 20 30 CDEDLP C=CCN1CC[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1=O ZINC000420367694 376337433 /nfs/dbraw/zinc/33/74/33/376337433.db2.gz NCRZYSDIZFFKKZ-ZIAGYGMSSA-N 2 2 265.401 1.271 20 30 CDEDLP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000447528875 250382369 /nfs/dbraw/zinc/38/23/69/250382369.db2.gz JRFVMUFYKCJVLY-CABCVRRESA-N 2 2 261.369 1.521 20 30 CDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CC2 ZINC000453260408 252289449 /nfs/dbraw/zinc/28/94/49/252289449.db2.gz JFFHLDVAQCIXMW-SJLPKXTDSA-N 2 2 299.418 1.982 20 30 CDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CC2 ZINC000453260408 252289452 /nfs/dbraw/zinc/28/94/52/252289452.db2.gz JFFHLDVAQCIXMW-SJLPKXTDSA-N 2 2 299.418 1.982 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449546780 390904703 /nfs/dbraw/zinc/90/47/03/390904703.db2.gz DTECKCHXFNFQDU-VIRABCJISA-N 2 2 250.386 1.935 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449546780 390904704 /nfs/dbraw/zinc/90/47/04/390904704.db2.gz DTECKCHXFNFQDU-VIRABCJISA-N 2 2 250.386 1.935 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156440097 390922269 /nfs/dbraw/zinc/92/22/69/390922269.db2.gz XVVBDJBXUKIFDG-STQMWFEESA-N 2 2 262.357 1.068 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156440097 390922270 /nfs/dbraw/zinc/92/22/70/390922270.db2.gz XVVBDJBXUKIFDG-STQMWFEESA-N 2 2 262.357 1.068 20 30 CDEDLP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC#N)CC2)C[C@H](C)O1 ZINC000373076157 391104663 /nfs/dbraw/zinc/10/46/63/391104663.db2.gz HLUJOAZKAZELRY-OKILXGFUSA-N 2 2 265.401 1.721 20 30 CDEDLP C[C@@H]1C[N@H+](CC2CC[NH+](CCC#N)CC2)C[C@H](C)O1 ZINC000373076157 391104666 /nfs/dbraw/zinc/10/46/66/391104666.db2.gz HLUJOAZKAZELRY-OKILXGFUSA-N 2 2 265.401 1.721 20 30 CDEDLP O=C(CCc1[nH]cc[nH+]1)NC1CC[NH+](C2CC2)CC1 ZINC000329828321 391785515 /nfs/dbraw/zinc/78/55/15/391785515.db2.gz JHVBCEOMNZQSCS-UHFFFAOYSA-N 2 2 262.357 1.926 20 30 CDEDLP C[C@@H]1C[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000329795006 391779518 /nfs/dbraw/zinc/77/95/18/391779518.db2.gz CLHXGLUYHGXOIY-VXGBXAGGSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@@H]1C[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000329795006 391779522 /nfs/dbraw/zinc/77/95/22/391779522.db2.gz CLHXGLUYHGXOIY-VXGBXAGGSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@H](CNC1=[NH+]C[C@H](C)N1)[N@@H+]1CCc2sccc2C1 ZINC000262674163 391810162 /nfs/dbraw/zinc/81/01/62/391810162.db2.gz SKVBKIGIMGGCAH-WDEREUQCSA-N 2 2 278.425 1.432 20 30 CDEDLP C[C@H](CNC1=[NH+]C[C@H](C)N1)[N@H+]1CCc2sccc2C1 ZINC000262674163 391810164 /nfs/dbraw/zinc/81/01/64/391810164.db2.gz SKVBKIGIMGGCAH-WDEREUQCSA-N 2 2 278.425 1.432 20 30 CDEDLP CC#CCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373354070 397675453 /nfs/dbraw/zinc/67/54/53/397675453.db2.gz MRSIEUNSNMFFSX-OAHLLOKOSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373354070 397675456 /nfs/dbraw/zinc/67/54/56/397675456.db2.gz MRSIEUNSNMFFSX-OAHLLOKOSA-N 2 2 291.439 1.465 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)nn1 ZINC000657315738 414163723 /nfs/dbraw/zinc/16/37/23/414163723.db2.gz SIXDMTIVDAKHAC-CYBMUJFWSA-N 2 2 263.389 1.286 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)nn1 ZINC000657315738 414163729 /nfs/dbraw/zinc/16/37/29/414163729.db2.gz SIXDMTIVDAKHAC-CYBMUJFWSA-N 2 2 263.389 1.286 20 30 CDEDLP C=C[C@H](CO)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000662168947 414548215 /nfs/dbraw/zinc/54/82/15/414548215.db2.gz ZRTJWTHCFJEGDP-SJORKVTESA-N 2 2 290.407 1.414 20 30 CDEDLP C=C[C@H](CO)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000662168947 414548218 /nfs/dbraw/zinc/54/82/18/414548218.db2.gz ZRTJWTHCFJEGDP-SJORKVTESA-N 2 2 290.407 1.414 20 30 CDEDLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329003333 227254525 /nfs/dbraw/zinc/25/45/25/227254525.db2.gz WOIZWRUPKPHYCD-STQMWFEESA-N 2 2 288.395 1.886 20 30 CDEDLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329003333 227254530 /nfs/dbraw/zinc/25/45/30/227254530.db2.gz WOIZWRUPKPHYCD-STQMWFEESA-N 2 2 288.395 1.886 20 30 CDEDLP COCC1(C#N)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000341990504 263382441 /nfs/dbraw/zinc/38/24/41/263382441.db2.gz NHJDFSLQGAPYJX-UHFFFAOYSA-N 2 2 262.357 1.525 20 30 CDEDLP Cc1cc(NCC[N@@H+](C)C2CCCC2)c(C#N)c[nH+]1 ZINC000399428484 267300082 /nfs/dbraw/zinc/30/00/82/267300082.db2.gz HTBYLSBJONBJPM-UHFFFAOYSA-N 2 2 258.369 1.970 20 30 CDEDLP Cc1cc(NCC[N@H+](C)C2CCCC2)c(C#N)c[nH+]1 ZINC000399428484 267300084 /nfs/dbraw/zinc/30/00/84/267300084.db2.gz HTBYLSBJONBJPM-UHFFFAOYSA-N 2 2 258.369 1.970 20 30 CDEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC1CC1 ZINC000263252083 330050576 /nfs/dbraw/zinc/05/05/76/330050576.db2.gz PENDPSWGTAWWLK-UHFFFAOYSA-N 2 2 275.400 1.479 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422861790 330157980 /nfs/dbraw/zinc/15/79/80/330157980.db2.gz OZRPNIFITHOFSS-CABCVRRESA-N 3 2 251.418 1.886 20 30 CDEDLP Cc1cccc2[nH+]c(CNC(=O)[C@H]([NH3+])CCCC#N)cn21 ZINC000424145079 330290183 /nfs/dbraw/zinc/29/01/83/330290183.db2.gz MRUVRIIJWLQWEP-CYBMUJFWSA-N 2 2 285.351 1.280 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000453346923 331120066 /nfs/dbraw/zinc/12/00/66/331120066.db2.gz KKNCMOXZJDQFRU-RZFFKMDDSA-N 2 2 250.386 1.792 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000453346923 331120067 /nfs/dbraw/zinc/12/00/67/331120067.db2.gz KKNCMOXZJDQFRU-RZFFKMDDSA-N 2 2 250.386 1.792 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000490914154 332128329 /nfs/dbraw/zinc/12/83/29/332128329.db2.gz GJPXKTVQCPFGJP-MRXNPFEDSA-N 2 2 299.418 1.423 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000491740657 332319902 /nfs/dbraw/zinc/31/99/02/332319902.db2.gz UBRHTDCTFKVOIL-UHFFFAOYSA-N 2 2 298.390 1.257 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000491740657 332319903 /nfs/dbraw/zinc/31/99/03/332319903.db2.gz UBRHTDCTFKVOIL-UHFFFAOYSA-N 2 2 298.390 1.257 20 30 CDEDLP N#CCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000346339662 534613154 /nfs/dbraw/zinc/61/31/54/534613154.db2.gz WAUCDZGREGVBDK-UHFFFAOYSA-N 2 2 258.369 1.939 20 30 CDEDLP C=CCC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001113724209 1162267572 /nfs/dbraw/zinc/26/75/72/1162267572.db2.gz OQCFJZZWAFPECK-UHFFFAOYSA-N 2 2 276.384 1.384 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042715386 687634901 /nfs/dbraw/zinc/63/49/01/687634901.db2.gz XKPFYXNJEKZNAT-HNNXBMFYSA-N 2 2 277.412 1.025 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042715386 687634916 /nfs/dbraw/zinc/63/49/16/687634916.db2.gz XKPFYXNJEKZNAT-HNNXBMFYSA-N 2 2 277.412 1.025 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000743320473 576632656 /nfs/dbraw/zinc/63/26/56/576632656.db2.gz RBYWCHRDOJZVNC-INIZCTEOSA-N 2 2 291.439 1.418 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)CC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936320 576867146 /nfs/dbraw/zinc/86/71/46/576867146.db2.gz RSYPWTIILBNQPJ-RAIGVLPGSA-N 2 2 275.400 1.317 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)CC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936320 576867148 /nfs/dbraw/zinc/86/71/48/576867148.db2.gz RSYPWTIILBNQPJ-RAIGVLPGSA-N 2 2 275.400 1.317 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)CCC[C@@H]2C)CC1 ZINC000748821037 576927840 /nfs/dbraw/zinc/92/78/40/576927840.db2.gz IRYKAAUFLDTZNO-CVEARBPZSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)CCC[C@@H]2C)CC1 ZINC000748821037 576927842 /nfs/dbraw/zinc/92/78/42/576927842.db2.gz IRYKAAUFLDTZNO-CVEARBPZSA-N 2 2 291.439 1.274 20 30 CDEDLP C[C@H]1CC(=NN2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000757561408 577042792 /nfs/dbraw/zinc/04/27/92/577042792.db2.gz OZFBQPDYTNXOIQ-HNNXBMFYSA-N 2 2 286.423 1.884 20 30 CDEDLP C[C@H]1CC(=NN2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000757561408 577042793 /nfs/dbraw/zinc/04/27/93/577042793.db2.gz OZFBQPDYTNXOIQ-HNNXBMFYSA-N 2 2 286.423 1.884 20 30 CDEDLP C[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000758235554 577087314 /nfs/dbraw/zinc/08/73/14/577087314.db2.gz INVCXWMQOSGWRS-DZGCQCFKSA-N 2 2 297.362 1.457 20 30 CDEDLP C[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000758235554 577087316 /nfs/dbraw/zinc/08/73/16/577087316.db2.gz INVCXWMQOSGWRS-DZGCQCFKSA-N 2 2 297.362 1.457 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000951195789 613010497 /nfs/dbraw/zinc/01/04/97/613010497.db2.gz LSPMLVKPDSVHRS-MRXNPFEDSA-N 2 2 291.439 1.417 20 30 CDEDLP 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C=CCCC[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274962198 931616481 /nfs/dbraw/zinc/61/64/81/931616481.db2.gz HPPYDJWHXMSOSP-QGZVFWFLSA-N 2 2 293.455 1.829 20 30 CDEDLP C=CCCC[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274962198 931616482 /nfs/dbraw/zinc/61/64/82/931616482.db2.gz HPPYDJWHXMSOSP-QGZVFWFLSA-N 2 2 293.455 1.829 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097443272 936302615 /nfs/dbraw/zinc/30/26/15/936302615.db2.gz JFVBMCDZROVSLI-BMFZPTHFSA-N 2 2 294.358 1.303 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097443272 936302620 /nfs/dbraw/zinc/30/26/20/936302620.db2.gz JFVBMCDZROVSLI-BMFZPTHFSA-N 2 2 294.358 1.303 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294439 938475932 /nfs/dbraw/zinc/47/59/32/938475932.db2.gz ZQDKBTLKJSXIKT-CYBMUJFWSA-N 2 2 264.373 1.286 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294439 938475933 /nfs/dbraw/zinc/47/59/33/938475933.db2.gz ZQDKBTLKJSXIKT-CYBMUJFWSA-N 2 2 264.373 1.286 20 30 CDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533832 938632658 /nfs/dbraw/zinc/63/26/58/938632658.db2.gz IGHCQYZQKXLDQC-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533832 938632660 /nfs/dbraw/zinc/63/26/60/938632660.db2.gz IGHCQYZQKXLDQC-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CCOc1cc(C)nc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161867928 938937740 /nfs/dbraw/zinc/93/77/40/938937740.db2.gz XEHYIOSEASMEQE-UHFFFAOYSA-N 2 2 291.399 1.185 20 30 CDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165588869 939571333 /nfs/dbraw/zinc/57/13/33/939571333.db2.gz JMGTXXZSLBBDKH-CHWSQXEVSA-N 2 2 286.379 1.023 20 30 CDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165588869 939571335 /nfs/dbraw/zinc/57/13/35/939571335.db2.gz JMGTXXZSLBBDKH-CHWSQXEVSA-N 2 2 286.379 1.023 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210603382 940701848 /nfs/dbraw/zinc/70/18/48/940701848.db2.gz HCNUTSQAOMBKPN-IUODEOHRSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210603382 940701849 /nfs/dbraw/zinc/70/18/49/940701849.db2.gz HCNUTSQAOMBKPN-IUODEOHRSA-N 2 2 290.411 1.663 20 30 CDEDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000402324500 940894100 /nfs/dbraw/zinc/89/41/00/940894100.db2.gz LKDRHNUCIQSMPW-VBNZEHGJSA-N 2 2 273.380 1.793 20 30 CDEDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000402324500 940894103 /nfs/dbraw/zinc/89/41/03/940894103.db2.gz LKDRHNUCIQSMPW-VBNZEHGJSA-N 2 2 273.380 1.793 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216061104 940918556 /nfs/dbraw/zinc/91/85/56/940918556.db2.gz AZWZXYMFOCBWPM-MGPQQGTHSA-N 2 2 290.411 1.743 20 30 CDEDLP N#Cc1oc2ccccc2c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218627232 941246834 /nfs/dbraw/zinc/24/68/34/941246834.db2.gz DDINZKJVCPWOBP-UHFFFAOYSA-N 2 2 298.346 1.585 20 30 CDEDLP C=CC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224796855 941793959 /nfs/dbraw/zinc/79/39/59/941793959.db2.gz SNHUDBFLAIDIPX-CYBMUJFWSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224796855 941793961 /nfs/dbraw/zinc/79/39/61/941793961.db2.gz SNHUDBFLAIDIPX-CYBMUJFWSA-N 2 2 290.411 1.603 20 30 CDEDLP CC#CC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229392917 942463168 /nfs/dbraw/zinc/46/31/68/942463168.db2.gz ILZJNKMNEPQFEO-CQSZACIVSA-N 2 2 288.395 1.438 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001230011029 942567576 /nfs/dbraw/zinc/56/75/76/942567576.db2.gz UCRZDVPYBQTDBO-HUUCEWRRSA-N 2 2 290.411 1.556 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234334604 943806854 /nfs/dbraw/zinc/80/68/54/943806854.db2.gz PPWUVUMETPLTLT-OAHLLOKOSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234334604 943806861 /nfs/dbraw/zinc/80/68/61/943806861.db2.gz PPWUVUMETPLTLT-OAHLLOKOSA-N 2 2 291.439 1.417 20 30 CDEDLP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CC[NH3+])C2 ZINC001235523845 944185538 /nfs/dbraw/zinc/18/55/38/944185538.db2.gz ZECLRDGMWJDKKD-KGLIPLIRSA-N 2 2 254.374 1.019 20 30 CDEDLP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC[NH3+])C2 ZINC001235523845 944185542 /nfs/dbraw/zinc/18/55/42/944185542.db2.gz ZECLRDGMWJDKKD-KGLIPLIRSA-N 2 2 254.374 1.019 20 30 CDEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CCN2CC[NH2+]C[C@@H]2C1 ZINC001246029212 947908781 /nfs/dbraw/zinc/90/87/81/947908781.db2.gz PXENARXRRMBAMO-IAGOWNOFSA-N 2 2 297.487 1.687 20 30 CDEDLP CCCCCCCC[C@@H](O)C[N@H+]1CCN2CC[NH2+]C[C@@H]2C1 ZINC001246029212 947908786 /nfs/dbraw/zinc/90/87/86/947908786.db2.gz PXENARXRRMBAMO-IAGOWNOFSA-N 2 2 297.487 1.687 20 30 CDEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246089714 947939918 /nfs/dbraw/zinc/93/99/18/947939918.db2.gz DHKIBLPESSCOHI-KCPJHIHWSA-N 2 2 261.344 1.779 20 30 CDEDLP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246708321 948413126 /nfs/dbraw/zinc/41/31/26/948413126.db2.gz FBUMQVJLZACDEY-HUUCEWRRSA-N 2 2 291.439 1.770 20 30 CDEDLP N#C[C@@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246838829 948469656 /nfs/dbraw/zinc/46/96/56/948469656.db2.gz VWYVJUNAWBFOLI-CYBMUJFWSA-N 2 2 262.401 1.096 20 30 CDEDLP N#C[C@@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246838829 948469654 /nfs/dbraw/zinc/46/96/54/948469654.db2.gz VWYVJUNAWBFOLI-CYBMUJFWSA-N 2 2 262.401 1.096 20 30 CDEDLP C=C1C[C@@H]2CC([N@H+]3C[C@H]([NH3+])[C@@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001246928737 948523679 /nfs/dbraw/zinc/52/36/79/948523679.db2.gz AGLZYOWJAWBFIY-AWQNUYMJSA-N 2 2 278.396 1.553 20 30 CDEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@H]([NH3+])[C@@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001246928737 948523682 /nfs/dbraw/zinc/52/36/82/948523682.db2.gz AGLZYOWJAWBFIY-AWQNUYMJSA-N 2 2 278.396 1.553 20 30 CDEDLP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C(=O)NO ZINC001258011362 948680914 /nfs/dbraw/zinc/68/09/14/948680914.db2.gz KZYIECISUPJLMZ-JSGCOSHPSA-N 2 2 285.432 1.617 20 30 CDEDLP C=CCOC[C@H](O)C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252472709 951328381 /nfs/dbraw/zinc/32/83/81/951328381.db2.gz XWGSYZYUYGIUFO-OAHLLOKOSA-N 2 2 270.417 1.355 20 30 CDEDLP C=CCOC[C@H](O)C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252472709 951328392 /nfs/dbraw/zinc/32/83/92/951328392.db2.gz XWGSYZYUYGIUFO-OAHLLOKOSA-N 2 2 270.417 1.355 20 30 CDEDLP C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)[C@H]1CCC[NH2+]1 ZINC001326038224 954193193 /nfs/dbraw/zinc/19/31/93/954193193.db2.gz PBECOCNEIBBYAJ-IUODEOHRSA-N 2 2 259.353 1.819 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001326784082 954547247 /nfs/dbraw/zinc/54/72/47/954547247.db2.gz QQZPSDKYJXNGIV-CYBMUJFWSA-N 2 2 275.356 1.068 20 30 CDEDLP C=CCC[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001313445834 956863373 /nfs/dbraw/zinc/86/33/73/956863373.db2.gz NBXFSEWPPGFJMX-UHFFFAOYSA-N 2 2 284.363 1.897 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317301007 957412107 /nfs/dbraw/zinc/41/21/07/957412107.db2.gz PCIAITOUSFZETQ-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317301007 957412112 /nfs/dbraw/zinc/41/21/12/957412112.db2.gz PCIAITOUSFZETQ-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001353330047 967903912 /nfs/dbraw/zinc/90/39/12/967903912.db2.gz REZRTJFJRVFOMV-OLZOCXBDSA-N 2 2 267.417 1.750 20 30 CDEDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001353330047 967903917 /nfs/dbraw/zinc/90/39/17/967903917.db2.gz REZRTJFJRVFOMV-OLZOCXBDSA-N 2 2 267.417 1.750 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100716717 969004634 /nfs/dbraw/zinc/00/46/34/969004634.db2.gz NFYRXUKXQQBIRN-WLYUNCDWSA-N 2 2 290.411 1.895 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001357369311 969576903 /nfs/dbraw/zinc/57/69/03/969576903.db2.gz VXHQXRJVHHICRR-OLZOCXBDSA-N 2 2 264.373 1.319 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001379914406 976126074 /nfs/dbraw/zinc/12/60/74/976126074.db2.gz SSOXXFXGECDVJJ-CYBMUJFWSA-N 2 2 296.802 1.498 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001379914413 976126703 /nfs/dbraw/zinc/12/67/03/976126703.db2.gz SSOXXFXGECDVJJ-ZDUSSCGKSA-N 2 2 296.802 1.498 20 30 CDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135006 1163579122 /nfs/dbraw/zinc/57/91/22/1163579122.db2.gz JSTXPABNSBPSST-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133242204 1163612513 /nfs/dbraw/zinc/61/25/13/1163612513.db2.gz OUIMCGOSICWFIR-KBPBESRZSA-N 2 2 290.411 1.223 20 30 CDEDLP CC(C)[C@@H](C#N)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000593968479 342858457 /nfs/dbraw/zinc/85/84/57/342858457.db2.gz NQANZPZQCFJUKX-MRXNPFEDSA-N 2 2 289.427 1.518 20 30 CDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594494629 342913956 /nfs/dbraw/zinc/91/39/56/342913956.db2.gz ODMRXGDWQGAPKJ-QGZVFWFLSA-N 2 2 285.391 1.901 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594614054 342928012 /nfs/dbraw/zinc/92/80/12/342928012.db2.gz YCPNDVNIJGJQTB-JSGCOSHPSA-N 2 2 251.374 1.379 20 30 CDEDLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000597130648 343453780 /nfs/dbraw/zinc/45/37/80/343453780.db2.gz UYGIPAKSRBYMDW-OAHLLOKOSA-N 2 2 297.362 1.649 20 30 CDEDLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000597130648 343453782 /nfs/dbraw/zinc/45/37/82/343453782.db2.gz UYGIPAKSRBYMDW-OAHLLOKOSA-N 2 2 297.362 1.649 20 30 CDEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000619717012 349867904 /nfs/dbraw/zinc/86/79/04/349867904.db2.gz LIOXGEWBWBDOAL-OAHLLOKOSA-N 2 2 296.411 1.148 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000598720052 343883058 /nfs/dbraw/zinc/88/30/58/343883058.db2.gz LSYYCJBYLUUCDA-UONOGXRCSA-N 2 2 265.401 1.361 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000598720052 343883059 /nfs/dbraw/zinc/88/30/59/343883059.db2.gz LSYYCJBYLUUCDA-UONOGXRCSA-N 2 2 265.401 1.361 20 30 CDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@H](C)C(C)C ZINC000263252872 362396082 /nfs/dbraw/zinc/39/60/82/362396082.db2.gz POBRWYOQDHUNCH-GFCCVEGCSA-N 2 2 277.416 1.929 20 30 CDEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(OC(F)F)c1 ZINC000610613515 346323467 /nfs/dbraw/zinc/32/34/67/346323467.db2.gz ULRFXAHLZNBKPZ-CHWSQXEVSA-N 2 2 293.317 1.811 20 30 CDEDLP N#CCCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611072255 346599185 /nfs/dbraw/zinc/59/91/85/346599185.db2.gz GGFVEGVJISYRMX-CQSZACIVSA-N 2 2 278.400 1.094 20 30 CDEDLP N#CCCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611072255 346599187 /nfs/dbraw/zinc/59/91/87/346599187.db2.gz GGFVEGVJISYRMX-CQSZACIVSA-N 2 2 278.400 1.094 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccnc(C#N)c3)C2)CC1 ZINC000610993005 346568670 /nfs/dbraw/zinc/56/86/70/346568670.db2.gz ZJTSXBUMYUCOTI-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)CC1 ZINC000610993005 346568672 /nfs/dbraw/zinc/56/86/72/346568672.db2.gz ZJTSXBUMYUCOTI-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000264084147 362961488 /nfs/dbraw/zinc/96/14/88/362961488.db2.gz INHVEWAUQWFIPK-CQSZACIVSA-N 2 2 276.384 1.361 20 30 CDEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000264084147 362961491 /nfs/dbraw/zinc/96/14/91/362961491.db2.gz INHVEWAUQWFIPK-CQSZACIVSA-N 2 2 276.384 1.361 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629561699 363007463 /nfs/dbraw/zinc/00/74/63/363007463.db2.gz XPMLGFKCOZDDNN-MRXNPFEDSA-N 3 2 281.444 1.073 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000262009354 359123024 /nfs/dbraw/zinc/12/30/24/359123024.db2.gz SQCPTUAQJFFTSX-UHFFFAOYSA-N 2 2 261.373 1.242 20 30 CDEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CCC(C#N)CC1 ZINC000333301270 296000849 /nfs/dbraw/zinc/00/08/49/296000849.db2.gz QCNBKNMUGFCPSX-VXGQWTEUSA-N 2 2 265.401 1.673 20 30 CDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CC)CCC#N)C1 ZINC000081516134 359857677 /nfs/dbraw/zinc/85/76/77/359857677.db2.gz NPCDWEXEEDSMIN-HNNXBMFYSA-N 2 2 294.443 1.412 20 30 CDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CC)CCC#N)C1 ZINC000081516134 359857683 /nfs/dbraw/zinc/85/76/83/359857683.db2.gz NPCDWEXEEDSMIN-HNNXBMFYSA-N 2 2 294.443 1.412 20 30 CDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(CC)CCC#N)C1 ZINC000081516134 359857686 /nfs/dbraw/zinc/85/76/86/359857686.db2.gz NPCDWEXEEDSMIN-HNNXBMFYSA-N 2 2 294.443 1.412 20 30 CDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(CC)CCC#N)C1 ZINC000081516134 359857693 /nfs/dbraw/zinc/85/76/93/359857693.db2.gz NPCDWEXEEDSMIN-HNNXBMFYSA-N 2 2 294.443 1.412 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538342 360849760 /nfs/dbraw/zinc/84/97/60/360849760.db2.gz OXBPMNJBLCDSGQ-UONOGXRCSA-N 2 2 292.427 1.353 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538342 360849763 /nfs/dbraw/zinc/84/97/63/360849763.db2.gz OXBPMNJBLCDSGQ-UONOGXRCSA-N 2 2 292.427 1.353 20 30 CDEDLP CC(C)(C#N)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119685725 260635889 /nfs/dbraw/zinc/63/58/89/260635889.db2.gz ADVMDVRVOCCAFG-CQSZACIVSA-N 2 2 265.401 1.580 20 30 CDEDLP CC(C)(C#N)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119685725 260635891 /nfs/dbraw/zinc/63/58/91/260635891.db2.gz ADVMDVRVOCCAFG-CQSZACIVSA-N 2 2 265.401 1.580 20 30 CDEDLP CCc1ccc([C@H](CNC(=[NH2+])N(C)C)[NH+](C)C)cc1 ZINC000170906494 365160155 /nfs/dbraw/zinc/16/01/55/365160155.db2.gz YBMPOEYTXSRVRC-AWEZNQCLSA-N 2 2 262.401 1.728 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290887329 378414291 /nfs/dbraw/zinc/41/42/91/378414291.db2.gz MRSHWZNHRHOMII-UHFFFAOYSA-N 2 2 271.368 1.698 20 30 CDEDLP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc1C#N ZINC000281218792 195154366 /nfs/dbraw/zinc/15/43/66/195154366.db2.gz KFYMYAASMZPUTL-UHFFFAOYSA-N 2 2 260.385 1.814 20 30 CDEDLP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1C#N ZINC000281218792 195154368 /nfs/dbraw/zinc/15/43/68/195154368.db2.gz KFYMYAASMZPUTL-UHFFFAOYSA-N 2 2 260.385 1.814 20 30 CDEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000271239000 391291960 /nfs/dbraw/zinc/29/19/60/391291960.db2.gz XTXDTCVFVPNPKY-GFCCVEGCSA-N 2 2 282.388 1.932 20 30 CDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000345720302 391308240 /nfs/dbraw/zinc/30/82/40/391308240.db2.gz YJEQMBAXDOENOM-CQSZACIVSA-N 2 2 292.427 1.165 20 30 CDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000345720302 391308242 /nfs/dbraw/zinc/30/82/42/391308242.db2.gz YJEQMBAXDOENOM-CQSZACIVSA-N 2 2 292.427 1.165 20 30 CDEDLP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000261709469 391682511 /nfs/dbraw/zinc/68/25/11/391682511.db2.gz DLOPQUJFBHKAMR-LLVKDONJSA-N 2 2 280.441 1.809 20 30 CDEDLP CC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000261709469 391682513 /nfs/dbraw/zinc/68/25/13/391682513.db2.gz DLOPQUJFBHKAMR-LLVKDONJSA-N 2 2 280.441 1.809 20 30 CDEDLP C[NH+]=C(NCc1cn[nH]c1C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261952061 391739775 /nfs/dbraw/zinc/73/97/75/391739775.db2.gz HRJFGEKUKOSHDQ-FZMZJTMJSA-N 2 2 292.431 1.112 20 30 CDEDLP C[NH+]=C(NCc1cn[nH]c1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261952061 391739776 /nfs/dbraw/zinc/73/97/76/391739776.db2.gz HRJFGEKUKOSHDQ-FZMZJTMJSA-N 2 2 292.431 1.112 20 30 CDEDLP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@@H](C)N1)c1ccco1 ZINC000262673048 391809890 /nfs/dbraw/zinc/80/98/90/391809890.db2.gz RXRWAIGPQMJVJD-VXGBXAGGSA-N 2 2 264.373 1.600 20 30 CDEDLP Cc1[nH+]c2ccccc2n1CCNC1=[NH+]CCN1C ZINC000262675511 391810450 /nfs/dbraw/zinc/81/04/50/391810450.db2.gz TVIQUQYOWOVLFU-UHFFFAOYSA-N 2 2 257.341 1.236 20 30 CDEDLP Cc1[nH+]ccn1-c1ncccc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262687816 391812988 /nfs/dbraw/zinc/81/29/88/391812988.db2.gz ZDDFCAKZFCMGGA-SNVBAGLBSA-N 2 2 270.340 1.013 20 30 CDEDLP COc1cccc(/C=[NH+]/CCN2CC[NH+](C)CC2)c1O ZINC000022749283 171397163 /nfs/dbraw/zinc/39/71/63/171397163.db2.gz SXISLAHIZOLMEM-FOWTUZBSSA-N 2 2 277.368 1.067 20 30 CDEDLP C=CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)COC ZINC000662299474 414625761 /nfs/dbraw/zinc/62/57/61/414625761.db2.gz QRMXWAKXFYITSU-SNVBAGLBSA-N 2 2 268.361 1.286 20 30 CDEDLP C=CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)COC ZINC000662299474 414625766 /nfs/dbraw/zinc/62/57/66/414625766.db2.gz QRMXWAKXFYITSU-SNVBAGLBSA-N 2 2 268.361 1.286 20 30 CDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CCC(C#N)CC1 ZINC000333301269 228196333 /nfs/dbraw/zinc/19/63/33/228196333.db2.gz QCNBKNMUGFCPSX-URGYJCLVSA-N 2 2 265.401 1.673 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157477025 260844409 /nfs/dbraw/zinc/84/44/09/260844409.db2.gz SIGCNCYSSXBMJL-UHFFFAOYSA-N 2 2 281.444 1.827 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157477025 260844410 /nfs/dbraw/zinc/84/44/10/260844410.db2.gz SIGCNCYSSXBMJL-UHFFFAOYSA-N 2 2 281.444 1.827 20 30 CDEDLP CCOCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000272875865 263009458 /nfs/dbraw/zinc/00/94/58/263009458.db2.gz FHFQAMKEHCYCEF-UHFFFAOYSA-N 2 2 265.357 1.422 20 30 CDEDLP CNC(=[NH2+])NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277385425 263040932 /nfs/dbraw/zinc/04/09/32/263040932.db2.gz NBCDBUPTLGTQLR-ZDUSSCGKSA-N 2 2 278.425 1.138 20 30 CDEDLP CNC(=[NH2+])NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277385425 263040933 /nfs/dbraw/zinc/04/09/33/263040933.db2.gz NBCDBUPTLGTQLR-ZDUSSCGKSA-N 2 2 278.425 1.138 20 30 CDEDLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000331319833 264188712 /nfs/dbraw/zinc/18/87/12/264188712.db2.gz KTQKHLUWYIGTJN-GFCCVEGCSA-N 2 2 293.415 1.544 20 30 CDEDLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000331319833 264188715 /nfs/dbraw/zinc/18/87/15/264188715.db2.gz KTQKHLUWYIGTJN-GFCCVEGCSA-N 2 2 293.415 1.544 20 30 CDEDLP C=CCCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nn1 ZINC000653570222 424296741 /nfs/dbraw/zinc/29/67/41/424296741.db2.gz GGVGQQPZQDZGOH-HOCLYGCPSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nn1 ZINC000653570222 424296747 /nfs/dbraw/zinc/29/67/47/424296747.db2.gz GGVGQQPZQDZGOH-HOCLYGCPSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nn1 ZINC000653570222 424296755 /nfs/dbraw/zinc/29/67/55/424296755.db2.gz GGVGQQPZQDZGOH-HOCLYGCPSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nn1 ZINC000653570222 424296760 /nfs/dbraw/zinc/29/67/60/424296760.db2.gz GGVGQQPZQDZGOH-HOCLYGCPSA-N 2 2 289.427 1.770 20 30 CDEDLP CCN(CC)C(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000264148308 328157874 /nfs/dbraw/zinc/15/78/74/328157874.db2.gz YMDVSHIWUFXUMP-UHFFFAOYSA-N 2 2 259.357 1.533 20 30 CDEDLP C=CCOc1cccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000573120059 327097540 /nfs/dbraw/zinc/09/75/40/327097540.db2.gz CUVLUZUSHVXWKV-HNNXBMFYSA-N 2 2 275.396 1.326 20 30 CDEDLP C=CCOc1cccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000573120059 327097541 /nfs/dbraw/zinc/09/75/41/327097541.db2.gz CUVLUZUSHVXWKV-HNNXBMFYSA-N 2 2 275.396 1.326 20 30 CDEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CCC#N ZINC000423136455 330172162 /nfs/dbraw/zinc/17/21/62/330172162.db2.gz ZGCXVVDLKFIHLT-QWHCGFSZSA-N 2 2 253.390 1.673 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@H]2C)CC1 ZINC000491038623 332141404 /nfs/dbraw/zinc/14/14/04/332141404.db2.gz KLGAJWJPANSUOL-OAHLLOKOSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2C)CC1 ZINC000491038623 332141405 /nfs/dbraw/zinc/14/14/05/332141405.db2.gz KLGAJWJPANSUOL-OAHLLOKOSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000491210607 332167113 /nfs/dbraw/zinc/16/71/13/332167113.db2.gz WNNCYCMOOPSPOQ-UHFFFAOYSA-N 3 2 265.445 1.794 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000491210607 332167115 /nfs/dbraw/zinc/16/71/15/332167115.db2.gz WNNCYCMOOPSPOQ-UHFFFAOYSA-N 3 2 265.445 1.794 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491544961 332234557 /nfs/dbraw/zinc/23/45/57/332234557.db2.gz OLPIAUYOFAJQSP-KBPBESRZSA-N 2 2 275.352 1.475 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491544961 332234559 /nfs/dbraw/zinc/23/45/59/332234559.db2.gz OLPIAUYOFAJQSP-KBPBESRZSA-N 2 2 275.352 1.475 20 30 CDEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H]1CCc2ccccc21 ZINC000491667486 332275669 /nfs/dbraw/zinc/27/56/69/332275669.db2.gz XVNWKLSISLXTOK-WMZOPIPTSA-N 2 2 286.419 1.922 20 30 CDEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H]1CCc2ccccc21 ZINC000491667486 332275671 /nfs/dbraw/zinc/27/56/71/332275671.db2.gz XVNWKLSISLXTOK-WMZOPIPTSA-N 2 2 286.419 1.922 20 30 CDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@H]1CCc2ccccc21 ZINC000491667486 332275673 /nfs/dbraw/zinc/27/56/73/332275673.db2.gz XVNWKLSISLXTOK-WMZOPIPTSA-N 2 2 286.419 1.922 20 30 CDEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@H]1CCc2ccccc21 ZINC000491667486 332275675 /nfs/dbraw/zinc/27/56/75/332275675.db2.gz XVNWKLSISLXTOK-WMZOPIPTSA-N 2 2 286.419 1.922 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000491670669 332278095 /nfs/dbraw/zinc/27/80/95/332278095.db2.gz ZMNFHWPRHJENKG-CQSZACIVSA-N 2 2 270.380 1.940 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000491670669 332278096 /nfs/dbraw/zinc/27/80/96/332278096.db2.gz ZMNFHWPRHJENKG-CQSZACIVSA-N 2 2 270.380 1.940 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000245435278 334193135 /nfs/dbraw/zinc/19/31/35/334193135.db2.gz QGVOIUXHMVVYFG-KGLIPLIRSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000245435278 334193136 /nfs/dbraw/zinc/19/31/36/334193136.db2.gz QGVOIUXHMVVYFG-KGLIPLIRSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000245435278 334193137 /nfs/dbraw/zinc/19/31/37/334193137.db2.gz QGVOIUXHMVVYFG-KGLIPLIRSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000245435278 334193138 /nfs/dbraw/zinc/19/31/38/334193138.db2.gz QGVOIUXHMVVYFG-KGLIPLIRSA-N 2 2 267.417 1.341 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000957424313 612990443 /nfs/dbraw/zinc/99/04/43/612990443.db2.gz NWWOPQVXBXBFTA-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000957424313 612990444 /nfs/dbraw/zinc/99/04/44/612990444.db2.gz NWWOPQVXBXBFTA-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CCC[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000981453858 613005825 /nfs/dbraw/zinc/00/58/25/613005825.db2.gz GFXVRDUTKIWGDS-UHFFFAOYSA-N 2 2 296.374 1.734 20 30 CDEDLP C#CCC[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000981453858 613005827 /nfs/dbraw/zinc/00/58/27/613005827.db2.gz GFXVRDUTKIWGDS-UHFFFAOYSA-N 2 2 296.374 1.734 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981523075 613156143 /nfs/dbraw/zinc/15/61/43/613156143.db2.gz JQHVMYYOVSTCGN-MRXNPFEDSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981523075 613156144 /nfs/dbraw/zinc/15/61/44/613156144.db2.gz JQHVMYYOVSTCGN-MRXNPFEDSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981523075 613156145 /nfs/dbraw/zinc/15/61/45/613156145.db2.gz JQHVMYYOVSTCGN-MRXNPFEDSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981523075 613156146 /nfs/dbraw/zinc/15/61/46/613156146.db2.gz JQHVMYYOVSTCGN-MRXNPFEDSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000981836447 613160639 /nfs/dbraw/zinc/16/06/39/613160639.db2.gz HWPRUEGDKOPBAB-UHFFFAOYSA-N 2 2 289.379 1.122 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000981836447 613160642 /nfs/dbraw/zinc/16/06/42/613160642.db2.gz HWPRUEGDKOPBAB-UHFFFAOYSA-N 2 2 289.379 1.122 20 30 CDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981298542 613251919 /nfs/dbraw/zinc/25/19/19/613251919.db2.gz JKNXXTGAXLSDGU-UHFFFAOYSA-N 2 2 290.411 1.843 20 30 CDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981298542 613251920 /nfs/dbraw/zinc/25/19/20/613251920.db2.gz JKNXXTGAXLSDGU-UHFFFAOYSA-N 2 2 290.411 1.843 20 30 CDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981298542 613251921 /nfs/dbraw/zinc/25/19/21/613251921.db2.gz JKNXXTGAXLSDGU-UHFFFAOYSA-N 2 2 290.411 1.843 20 30 CDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981298542 613251922 /nfs/dbraw/zinc/25/19/22/613251922.db2.gz JKNXXTGAXLSDGU-UHFFFAOYSA-N 2 2 290.411 1.843 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943765322 613328079 /nfs/dbraw/zinc/32/80/79/613328079.db2.gz 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C#CC[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160522103 938794828 /nfs/dbraw/zinc/79/48/28/938794828.db2.gz UCKLSUUPUCXPCV-CQSZACIVSA-N 2 2 276.384 1.199 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166960539 939661387 /nfs/dbraw/zinc/66/13/87/939661387.db2.gz JRYRBWXCHNENTJ-VXGBXAGGSA-N 2 2 296.802 1.372 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205763474 939933284 /nfs/dbraw/zinc/93/32/84/939933284.db2.gz QCXKOTWZGFGZDT-ZDUSSCGKSA-N 2 2 265.307 1.974 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205763474 939933289 /nfs/dbraw/zinc/93/32/89/939933289.db2.gz QCXKOTWZGFGZDT-ZDUSSCGKSA-N 2 2 265.307 1.974 20 30 CDEDLP CC[NH+]1CCC(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001208596507 940345512 /nfs/dbraw/zinc/34/55/12/940345512.db2.gz RDYLMGGZEDGPCH-CQSZACIVSA-N 2 2 280.437 1.992 20 30 CDEDLP CC[NH+]1CCC(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001208596507 940345515 /nfs/dbraw/zinc/34/55/15/940345515.db2.gz RDYLMGGZEDGPCH-CQSZACIVSA-N 2 2 280.437 1.992 20 30 CDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211365115 940750784 /nfs/dbraw/zinc/75/07/84/940750784.db2.gz XVNYRESLRPGQCM-DJIMGWMZSA-N 2 2 299.418 1.359 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211365115 940750787 /nfs/dbraw/zinc/75/07/87/940750787.db2.gz XVNYRESLRPGQCM-DJIMGWMZSA-N 2 2 299.418 1.359 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216565567 940947618 /nfs/dbraw/zinc/94/76/18/940947618.db2.gz MQLZVBZYRONANN-IUODEOHRSA-N 2 2 290.411 1.663 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404184492 940956806 /nfs/dbraw/zinc/95/68/06/940956806.db2.gz BKWNINNLSPUMJL-UHFFFAOYSA-N 2 2 259.328 1.742 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404184492 940956809 /nfs/dbraw/zinc/95/68/09/940956809.db2.gz BKWNINNLSPUMJL-UHFFFAOYSA-N 2 2 259.328 1.742 20 30 CDEDLP C=C(C)CC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228534175 942331912 /nfs/dbraw/zinc/33/19/12/942331912.db2.gz CMNZTBHPMXXQSN-UHFFFAOYSA-N 2 2 290.411 1.820 20 30 CDEDLP Cc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(C#N)c1 ZINC001236000313 944368206 /nfs/dbraw/zinc/36/82/06/944368206.db2.gz SPNDGQATCWRUTM-XYPWUTKMSA-N 2 2 271.364 1.272 20 30 CDEDLP Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(C#N)c1 ZINC001236000313 944368213 /nfs/dbraw/zinc/36/82/13/944368213.db2.gz SPNDGQATCWRUTM-XYPWUTKMSA-N 2 2 271.364 1.272 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237415918 944764005 /nfs/dbraw/zinc/76/40/05/944764005.db2.gz PBAWOFNNNRJPAA-ZFWWWQNUSA-N 2 2 271.364 1.838 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237415918 944764010 /nfs/dbraw/zinc/76/40/10/944764010.db2.gz PBAWOFNNNRJPAA-ZFWWWQNUSA-N 2 2 271.364 1.838 20 30 CDEDLP C=C(C)C(=O)NCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254839021 947617090 /nfs/dbraw/zinc/61/70/90/947617090.db2.gz KVGKDMSSUFUMDL-CQSZACIVSA-N 2 2 265.401 1.143 20 30 CDEDLP CC[C@H](CC#N)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001255155775 947756462 /nfs/dbraw/zinc/75/64/62/947756462.db2.gz BCWGBFXOORJGKL-NEPJUHHUSA-N 2 2 284.404 1.858 20 30 CDEDLP CC[C@@H](CC#N)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001255155777 947756517 /nfs/dbraw/zinc/75/65/17/947756517.db2.gz BCWGBFXOORJGKL-NWDGAFQWSA-N 2 2 284.404 1.858 20 30 CDEDLP CC[C@H](CC#N)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001255174139 947767003 /nfs/dbraw/zinc/76/70/03/947767003.db2.gz RYYXEBQCWHBFMQ-OAHLLOKOSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246099714 947952839 /nfs/dbraw/zinc/95/28/39/947952839.db2.gz RVHVUVXKLWDLAU-BYCMXARLSA-N 2 2 261.344 1.779 20 30 CDEDLP C[C@@H]1CC[C@H]([NH2+]CCOc2ccccc2C#N)C[NH2+]1 ZINC001246330801 948111003 /nfs/dbraw/zinc/11/10/03/948111003.db2.gz VEEGITAOEYTHFV-OCCSQVGLSA-N 2 2 259.353 1.667 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001253407239 951892490 /nfs/dbraw/zinc/89/24/90/951892490.db2.gz INPFQTHGNFJBIR-ZDUSSCGKSA-N 2 2 279.359 1.536 20 30 CDEDLP C=C[C@@H](O)C[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001253581471 951971309 /nfs/dbraw/zinc/97/13/09/951971309.db2.gz CMWDTDFZRFJLPE-HUUCEWRRSA-N 2 2 268.401 1.109 20 30 CDEDLP C=C[C@@H](O)C[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001253581471 951971313 /nfs/dbraw/zinc/97/13/13/951971313.db2.gz CMWDTDFZRFJLPE-HUUCEWRRSA-N 2 2 268.401 1.109 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001328662797 955401421 /nfs/dbraw/zinc/40/14/21/955401421.db2.gz YVQQYTIWYYGFKW-AWEZNQCLSA-N 2 2 288.395 1.255 20 30 CDEDLP C=C[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001329941207 956189723 /nfs/dbraw/zinc/18/97/23/956189723.db2.gz NTSVEQPWNYNWMM-OCCSQVGLSA-N 2 2 254.374 1.030 20 30 CDEDLP C#C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC001308883358 956593797 /nfs/dbraw/zinc/59/37/97/956593797.db2.gz RFULHYWZMAVFHW-IIAWOOMASA-N 2 2 264.413 1.613 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)Cc1c[nH+]cn1C ZINC001444044631 965723376 /nfs/dbraw/zinc/72/33/76/965723376.db2.gz XBSDTUAVDWBLCK-LLVKDONJSA-N 2 2 284.791 1.200 20 30 CDEDLP C#CC[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100439963 968362929 /nfs/dbraw/zinc/36/29/29/968362929.db2.gz CVPPWFXFQVLLSU-UHFFFAOYSA-N 2 2 288.395 1.044 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221949 1163203029 /nfs/dbraw/zinc/20/30/29/1163203029.db2.gz RAUYSGRMZHCLAX-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221949 1163203035 /nfs/dbraw/zinc/20/30/35/1163203035.db2.gz RAUYSGRMZHCLAX-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092804685 342234776 /nfs/dbraw/zinc/23/47/76/342234776.db2.gz MEHNEQVRWVVMPX-ZDUSSCGKSA-N 2 2 289.383 1.351 20 30 CDEDLP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092804685 342234777 /nfs/dbraw/zinc/23/47/77/342234777.db2.gz MEHNEQVRWVVMPX-ZDUSSCGKSA-N 2 2 289.383 1.351 20 30 CDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000595415357 343048511 /nfs/dbraw/zinc/04/85/11/343048511.db2.gz PJSGWKOQXFIAOY-CJNGLKHVSA-N 2 2 275.396 1.910 20 30 CDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000595415357 343048512 /nfs/dbraw/zinc/04/85/12/343048512.db2.gz PJSGWKOQXFIAOY-CJNGLKHVSA-N 2 2 275.396 1.910 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507993 343080756 /nfs/dbraw/zinc/08/07/56/343080756.db2.gz SSIOAVBAUXGBDX-ZBFHGGJFSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507993 343080759 /nfs/dbraw/zinc/08/07/59/343080759.db2.gz SSIOAVBAUXGBDX-ZBFHGGJFSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507993 343080761 /nfs/dbraw/zinc/08/07/61/343080761.db2.gz SSIOAVBAUXGBDX-ZBFHGGJFSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507993 343080763 /nfs/dbraw/zinc/08/07/63/343080763.db2.gz SSIOAVBAUXGBDX-ZBFHGGJFSA-N 2 2 292.427 1.165 20 30 CDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595611908 343109226 /nfs/dbraw/zinc/10/92/26/343109226.db2.gz OWXOOQBHQSXOBM-LSDHHAIUSA-N 2 2 292.427 1.165 20 30 CDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595611908 343109227 /nfs/dbraw/zinc/10/92/27/343109227.db2.gz OWXOOQBHQSXOBM-LSDHHAIUSA-N 2 2 292.427 1.165 20 30 CDEDLP CN(C)c1nc(N2CC[NH+](CCCCC#N)CC2)cc[nH+]1 ZINC000330368355 529813090 /nfs/dbraw/zinc/81/30/90/529813090.db2.gz OROXRSPRNUIHPZ-UHFFFAOYSA-N 2 2 288.399 1.358 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000598703357 343876810 /nfs/dbraw/zinc/87/68/10/343876810.db2.gz GXSBMNXDRQEQAC-LBPRGKRZSA-N 2 2 250.346 1.164 20 30 CDEDLP N#CCCN(C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000603833583 344838693 /nfs/dbraw/zinc/83/86/93/344838693.db2.gz VLYRUZPIZJCFDH-HUUCEWRRSA-N 2 2 298.390 1.084 20 30 CDEDLP CC1(C#N)CCC([NH2+][C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000449396215 362691691 /nfs/dbraw/zinc/69/16/91/362691691.db2.gz KSNZXJSTJRCLHC-HWOWSKLDSA-N 2 2 279.428 1.895 20 30 CDEDLP CC1(C#N)CCC([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000449396215 362691696 /nfs/dbraw/zinc/69/16/96/362691696.db2.gz KSNZXJSTJRCLHC-HWOWSKLDSA-N 2 2 279.428 1.895 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641784394 365851955 /nfs/dbraw/zinc/85/19/55/365851955.db2.gz CKPLHVBYBUNYQJ-IAGOWNOFSA-N 2 2 295.471 1.727 20 30 CDEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000602020852 350046120 /nfs/dbraw/zinc/04/61/20/350046120.db2.gz OLSVMPKNXKLKQE-UHFFFAOYSA-N 2 2 259.353 1.105 20 30 CDEDLP C[NH+]=C(NC[C@H](c1ccc(C)cc1)[NH+](C)C)NC1CC1 ZINC000264077017 362959067 /nfs/dbraw/zinc/95/90/67/362959067.db2.gz TWMYKVXLKRNKIQ-OAHLLOKOSA-N 2 2 274.412 1.925 20 30 CDEDLP CNC(NC[C@@H](c1cccc(F)c1)[NH+](C)C)=[NH+]C ZINC000264081692 362960050 /nfs/dbraw/zinc/96/00/50/362960050.db2.gz ISGDELXALOTGLH-LBPRGKRZSA-N 2 2 252.337 1.223 20 30 CDEDLP C[N@@H+](Cc1ccc(C#N)cn1)C[C@@H]1CCC[NH+](C)C1 ZINC000566413645 357664503 /nfs/dbraw/zinc/66/45/03/357664503.db2.gz HADCUTZOUKJWRC-CQSZACIVSA-N 2 2 258.369 1.727 20 30 CDEDLP C[N@H+](Cc1ccc(C#N)cn1)C[C@@H]1CCC[NH+](C)C1 ZINC000566413645 357664507 /nfs/dbraw/zinc/66/45/07/357664507.db2.gz HADCUTZOUKJWRC-CQSZACIVSA-N 2 2 258.369 1.727 20 30 CDEDLP C[NH+](Cc1ccc(C#N)cn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000566413645 357664512 /nfs/dbraw/zinc/66/45/12/357664512.db2.gz HADCUTZOUKJWRC-CQSZACIVSA-N 2 2 258.369 1.727 20 30 CDEDLP C[NH+](Cc1ccc(C#N)cn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000566413645 357664518 /nfs/dbraw/zinc/66/45/18/357664518.db2.gz HADCUTZOUKJWRC-CQSZACIVSA-N 2 2 258.369 1.727 20 30 CDEDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(C#N)o2)CC1 ZINC000269354532 368616183 /nfs/dbraw/zinc/61/61/83/368616183.db2.gz LTAFOSGSYAASNC-UHFFFAOYSA-N 2 2 263.341 1.040 20 30 CDEDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(C#N)o2)CC1 ZINC000269354532 368616187 /nfs/dbraw/zinc/61/61/87/368616187.db2.gz LTAFOSGSYAASNC-UHFFFAOYSA-N 2 2 263.341 1.040 20 30 CDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000269404538 369083791 /nfs/dbraw/zinc/08/37/91/369083791.db2.gz HECVRDBVVCEZHN-ZDUSSCGKSA-N 2 2 291.370 1.755 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000037749061 370034497 /nfs/dbraw/zinc/03/44/97/370034497.db2.gz SVYHEZBILGPADH-OAHLLOKOSA-N 2 2 259.353 1.105 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCSCC#N)CC1 ZINC000580960010 372762433 /nfs/dbraw/zinc/76/24/33/372762433.db2.gz ASVOBGRSJIEYQD-CQSZACIVSA-N 2 2 297.468 1.818 20 30 CDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCSCC#N)CC1 ZINC000580960010 372762439 /nfs/dbraw/zinc/76/24/39/372762439.db2.gz ASVOBGRSJIEYQD-CQSZACIVSA-N 2 2 297.468 1.818 20 30 CDEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000072859770 284353167 /nfs/dbraw/zinc/35/31/67/284353167.db2.gz MCFREMQWVAFLDA-UONOGXRCSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000072859770 284353168 /nfs/dbraw/zinc/35/31/68/284353168.db2.gz MCFREMQWVAFLDA-UONOGXRCSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000072859770 284353169 /nfs/dbraw/zinc/35/31/69/284353169.db2.gz MCFREMQWVAFLDA-UONOGXRCSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000072859770 284353170 /nfs/dbraw/zinc/35/31/70/284353170.db2.gz MCFREMQWVAFLDA-UONOGXRCSA-N 2 2 280.416 1.021 20 30 CDEDLP C=CC[C@H](CO)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000341299098 373486247 /nfs/dbraw/zinc/48/62/47/373486247.db2.gz KITITRTZHPDNAL-ZDUSSCGKSA-N 2 2 259.353 1.917 20 30 CDEDLP N#CCSCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000074990750 376923307 /nfs/dbraw/zinc/92/33/07/376923307.db2.gz AXHZHNKQLORQQD-HNNXBMFYSA-N 2 2 297.468 1.677 20 30 CDEDLP N#CCSCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000074990750 376923319 /nfs/dbraw/zinc/92/33/19/376923319.db2.gz AXHZHNKQLORQQD-HNNXBMFYSA-N 2 2 297.468 1.677 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246922071 377018371 /nfs/dbraw/zinc/01/83/71/377018371.db2.gz DDIGBRGOLOFRQA-HUUCEWRRSA-N 2 2 279.428 1.627 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246922071 377018377 /nfs/dbraw/zinc/01/83/77/377018377.db2.gz DDIGBRGOLOFRQA-HUUCEWRRSA-N 2 2 279.428 1.627 20 30 CDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1(C#N)CC1 ZINC000343296561 377878193 /nfs/dbraw/zinc/87/81/93/377878193.db2.gz DPXHZBLQWXEVIX-RDBSUJKOSA-N 2 2 263.385 1.474 20 30 CDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1(C#N)CC1 ZINC000343296561 377878197 /nfs/dbraw/zinc/87/81/97/377878197.db2.gz DPXHZBLQWXEVIX-RDBSUJKOSA-N 2 2 263.385 1.474 20 30 CDEDLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000447528878 250381273 /nfs/dbraw/zinc/38/12/73/250381273.db2.gz JRFVMUFYKCJVLY-GJZGRUSLSA-N 2 2 261.369 1.521 20 30 CDEDLP C[C@@H](CNC(=[NH2+])N(C)C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000262162409 391029495 /nfs/dbraw/zinc/02/94/95/391029495.db2.gz BEENISBKTFBUHT-NSHDSACASA-N 2 2 292.452 1.904 20 30 CDEDLP C[C@@H](CNC(=[NH2+])N(C)C1CC1)[N@H+]1CCc2sccc2C1 ZINC000262162409 391029497 /nfs/dbraw/zinc/02/94/97/391029497.db2.gz BEENISBKTFBUHT-NSHDSACASA-N 2 2 292.452 1.904 20 30 CDEDLP C[C@H](CCC#N)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000351335308 391066063 /nfs/dbraw/zinc/06/60/63/391066063.db2.gz XPHPUDLOQVVIRR-KGLIPLIRSA-N 2 2 251.374 1.333 20 30 CDEDLP C[C@H](CCC#N)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000351335308 391066067 /nfs/dbraw/zinc/06/60/67/391066067.db2.gz XPHPUDLOQVVIRR-KGLIPLIRSA-N 2 2 251.374 1.333 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266697074 391178494 /nfs/dbraw/zinc/17/84/94/391178494.db2.gz BVJGOUWXIJHDOY-LBPRGKRZSA-N 2 2 289.383 1.350 20 30 CDEDLP CCN(CC)C(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267371765 391192465 /nfs/dbraw/zinc/19/24/65/391192465.db2.gz TXVOEXPIMDPEHS-UHFFFAOYSA-N 2 2 280.391 1.914 20 30 CDEDLP CCN(CC)C(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267371765 391192466 /nfs/dbraw/zinc/19/24/66/391192466.db2.gz TXVOEXPIMDPEHS-UHFFFAOYSA-N 2 2 280.391 1.914 20 30 CDEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353429219 391653075 /nfs/dbraw/zinc/65/30/75/391653075.db2.gz TUEJTXNIZZZWJJ-DOTOQJQBSA-N 2 2 284.407 1.381 20 30 CDEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353429219 391653077 /nfs/dbraw/zinc/65/30/77/391653077.db2.gz TUEJTXNIZZZWJJ-DOTOQJQBSA-N 2 2 284.407 1.381 20 30 CDEDLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353655290 391668163 /nfs/dbraw/zinc/66/81/63/391668163.db2.gz FXIOXYMFIBJAIU-CVEARBPZSA-N 2 2 271.364 1.202 20 30 CDEDLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353655290 391668167 /nfs/dbraw/zinc/66/81/67/391668167.db2.gz FXIOXYMFIBJAIU-CVEARBPZSA-N 2 2 271.364 1.202 20 30 CDEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])NC(C)(C)C ZINC000262001027 391754354 /nfs/dbraw/zinc/75/43/54/391754354.db2.gz PSAKOXDRKWLFPS-UHFFFAOYSA-N 2 2 286.383 1.779 20 30 CDEDLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1=CC[N@H+](C)CC1 ZINC000330022983 228018892 /nfs/dbraw/zinc/01/88/92/228018892.db2.gz HZFYAUVOTDCADC-NSHDSACASA-N 2 2 262.357 1.949 20 30 CDEDLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1=CC[N@@H+](C)CC1 ZINC000330022983 228018894 /nfs/dbraw/zinc/01/88/94/228018894.db2.gz HZFYAUVOTDCADC-NSHDSACASA-N 2 2 262.357 1.949 20 30 CDEDLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1=CC[N@H+](C)CC1 ZINC000330022983 228018895 /nfs/dbraw/zinc/01/88/95/228018895.db2.gz HZFYAUVOTDCADC-NSHDSACASA-N 2 2 262.357 1.949 20 30 CDEDLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000330022983 228018897 /nfs/dbraw/zinc/01/88/97/228018897.db2.gz HZFYAUVOTDCADC-NSHDSACASA-N 2 2 262.357 1.949 20 30 CDEDLP CC(C)CCNC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000104159451 260618666 /nfs/dbraw/zinc/61/86/66/260618666.db2.gz IFVQKKWVMOWHAN-UHFFFAOYSA-N 2 2 273.384 1.827 20 30 CDEDLP Cc1nc(CC(N)=[NH+]OCCCn2cc[nH+]c2C)cs1 ZINC000154750106 261094743 /nfs/dbraw/zinc/09/47/43/261094743.db2.gz AIUJSTVIZUOXQD-UHFFFAOYSA-N 2 2 293.396 1.878 20 30 CDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCC#N)CC2)CC1 ZINC000330908881 264075684 /nfs/dbraw/zinc/07/56/84/264075684.db2.gz XHELHGCXUWHVRW-UHFFFAOYSA-N 2 2 292.427 1.355 20 30 CDEDLP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H](C)C#N ZINC000114455593 266285799 /nfs/dbraw/zinc/28/57/99/266285799.db2.gz YVYAPYWGRURFQL-CQSZACIVSA-N 2 2 294.443 1.457 20 30 CDEDLP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H](C)C#N ZINC000114455593 266285800 /nfs/dbraw/zinc/28/58/00/266285800.db2.gz YVYAPYWGRURFQL-CQSZACIVSA-N 2 2 294.443 1.457 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000377718031 329026911 /nfs/dbraw/zinc/02/69/11/329026911.db2.gz 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C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCC#N)CC1 ZINC000576777945 335247026 /nfs/dbraw/zinc/24/70/26/335247026.db2.gz MCJHCVCGRGTQFK-ZDUSSCGKSA-N 2 2 251.374 1.475 20 30 CDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCC#N)CC1 ZINC000576777945 335247028 /nfs/dbraw/zinc/24/70/28/335247028.db2.gz MCJHCVCGRGTQFK-ZDUSSCGKSA-N 2 2 251.374 1.475 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nn1 ZINC000576936967 335265932 /nfs/dbraw/zinc/26/59/32/335265932.db2.gz QPKIRAJYOHKIID-OWCLPIDISA-N 2 2 289.427 1.865 20 30 CDEDLP Clc1ccc(C#CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000674249475 482975348 /nfs/dbraw/zinc/97/53/48/482975348.db2.gz WKTWYPQFHRNCDI-KBPBESRZSA-N 2 2 260.768 1.843 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001753379376 1185177998 /nfs/dbraw/zinc/17/79/98/1185177998.db2.gz QWNLGVAPNDKFQP-ZDUSSCGKSA-N 2 2 271.380 1.043 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346482010 526626692 /nfs/dbraw/zinc/62/66/92/526626692.db2.gz GYNSQDJDYOVYHO-TZMCWYRMSA-N 2 2 275.352 1.225 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346482010 526626696 /nfs/dbraw/zinc/62/66/96/526626696.db2.gz GYNSQDJDYOVYHO-TZMCWYRMSA-N 2 2 275.352 1.225 20 30 CDEDLP C=C[C@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000353578818 527592238 /nfs/dbraw/zinc/59/22/38/527592238.db2.gz SRAWFGIDJXIYJW-CQSZACIVSA-N 2 2 261.369 1.183 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)CC1 ZINC000748821039 576927784 /nfs/dbraw/zinc/92/77/84/576927784.db2.gz IRYKAAUFLDTZNO-HOTGVXAUSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)CCC[C@@H]2C)CC1 ZINC000748821039 576927785 /nfs/dbraw/zinc/92/77/85/576927785.db2.gz IRYKAAUFLDTZNO-HOTGVXAUSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000950886489 612992153 /nfs/dbraw/zinc/99/21/53/612992153.db2.gz JKPMURBJNULIAX-UHFFFAOYSA-N 2 2 296.374 1.504 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730184 613287932 /nfs/dbraw/zinc/28/79/32/613287932.db2.gz SHBRQEQEFOGOND-ZDUSSCGKSA-N 2 2 290.411 1.796 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730184 613287934 /nfs/dbraw/zinc/28/79/34/613287934.db2.gz SHBRQEQEFOGOND-ZDUSSCGKSA-N 2 2 290.411 1.796 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943766379 613536672 /nfs/dbraw/zinc/53/66/72/613536672.db2.gz HZJZAUKXCADAMM-OLZOCXBDSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943766379 613536673 /nfs/dbraw/zinc/53/66/73/613536673.db2.gz HZJZAUKXCADAMM-OLZOCXBDSA-N 2 2 276.384 1.355 20 30 CDEDLP CC(C)C[NH+]=C(NCCn1cc[nH+]c1)NC(C)(C)C ZINC000912509360 630049626 /nfs/dbraw/zinc/04/96/26/630049626.db2.gz DMXFPFHFYPWEGP-UHFFFAOYSA-N 2 2 265.405 1.873 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(OC)c1F ZINC000392874186 695564454 /nfs/dbraw/zinc/56/44/54/695564454.db2.gz DRZINOLDOTTZJD-UHFFFAOYSA-N 2 2 264.344 1.879 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(OC)c1F ZINC000392874186 695564468 /nfs/dbraw/zinc/56/44/68/695564468.db2.gz DRZINOLDOTTZJD-UHFFFAOYSA-N 2 2 264.344 1.879 20 30 CDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001000822463 695197409 /nfs/dbraw/zinc/19/74/09/695197409.db2.gz FNCJOSCZPZDHPY-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000988740812 695362759 /nfs/dbraw/zinc/36/27/59/695362759.db2.gz AVMZDPIUYQKQDS-STQMWFEESA-N 2 2 276.384 1.497 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000733273965 695419355 /nfs/dbraw/zinc/41/93/55/695419355.db2.gz NCGGSURCCPCZJJ-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000733273965 695419356 /nfs/dbraw/zinc/41/93/56/695419356.db2.gz NCGGSURCCPCZJJ-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000733273965 695419359 /nfs/dbraw/zinc/41/93/59/695419359.db2.gz NCGGSURCCPCZJJ-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000733273965 695419363 /nfs/dbraw/zinc/41/93/63/695419363.db2.gz NCGGSURCCPCZJJ-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001038410666 695430546 /nfs/dbraw/zinc/43/05/46/695430546.db2.gz QUDXSMMLBFYZLR-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001038410666 695430547 /nfs/dbraw/zinc/43/05/47/695430547.db2.gz QUDXSMMLBFYZLR-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038410666 695430548 /nfs/dbraw/zinc/43/05/48/695430548.db2.gz QUDXSMMLBFYZLR-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038410666 695430549 /nfs/dbraw/zinc/43/05/49/695430549.db2.gz 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C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000883131308 725286048 /nfs/dbraw/zinc/28/60/48/725286048.db2.gz VMWMYMKOMDRXLC-UHFFFAOYSA-N 2 2 288.317 1.484 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000883131308 725286052 /nfs/dbraw/zinc/28/60/52/725286052.db2.gz VMWMYMKOMDRXLC-UHFFFAOYSA-N 2 2 288.317 1.484 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999536349 725328811 /nfs/dbraw/zinc/32/88/11/725328811.db2.gz OCQWTFHZSPVADC-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](C)CC1 ZINC000886574871 725403949 /nfs/dbraw/zinc/40/39/49/725403949.db2.gz WXRWLMQDRMAQPD-ZDUSSCGKSA-N 2 2 288.395 1.144 20 30 CDEDLP C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](C)CC1 ZINC000886574871 725403950 /nfs/dbraw/zinc/40/39/50/725403950.db2.gz WXRWLMQDRMAQPD-ZDUSSCGKSA-N 2 2 288.395 1.144 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001032400341 725433360 /nfs/dbraw/zinc/43/33/60/725433360.db2.gz DHGXROUYCZWOPL-JYJNAYRXSA-N 2 2 289.423 1.168 20 30 CDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001032400341 725433361 /nfs/dbraw/zinc/43/33/61/725433361.db2.gz DHGXROUYCZWOPL-JYJNAYRXSA-N 2 2 289.423 1.168 20 30 CDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001032400341 725433362 /nfs/dbraw/zinc/43/33/62/725433362.db2.gz DHGXROUYCZWOPL-JYJNAYRXSA-N 2 2 289.423 1.168 20 30 CDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001032400341 725433363 /nfs/dbraw/zinc/43/33/63/725433363.db2.gz DHGXROUYCZWOPL-JYJNAYRXSA-N 2 2 289.423 1.168 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038369108 725455914 /nfs/dbraw/zinc/45/59/14/725455914.db2.gz UWYZIAHCBFEPPY-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038369108 725455917 /nfs/dbraw/zinc/45/59/17/725455917.db2.gz UWYZIAHCBFEPPY-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033437372 725533604 /nfs/dbraw/zinc/53/36/04/725533604.db2.gz GQOBXLANXBHOMB-BFHYXJOUSA-N 2 2 288.395 1.242 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033437372 725533607 /nfs/dbraw/zinc/53/36/07/725533607.db2.gz GQOBXLANXBHOMB-BFHYXJOUSA-N 2 2 288.395 1.242 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000883131309 725918248 /nfs/dbraw/zinc/91/82/48/725918248.db2.gz VNAZHNFXAKPISC-UHFFFAOYSA-N 2 2 274.412 1.344 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000883131309 725918254 /nfs/dbraw/zinc/91/82/54/725918254.db2.gz VNAZHNFXAKPISC-UHFFFAOYSA-N 2 2 274.412 1.344 20 30 CDEDLP C#CC[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028633102 725967934 /nfs/dbraw/zinc/96/79/34/725967934.db2.gz XRJIOWSRLZPESR-GFCCVEGCSA-N 2 2 282.347 1.248 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028633102 725967936 /nfs/dbraw/zinc/96/79/36/725967936.db2.gz XRJIOWSRLZPESR-GFCCVEGCSA-N 2 2 282.347 1.248 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038699301 726006916 /nfs/dbraw/zinc/00/69/16/726006916.db2.gz LUDPOJFPPUAFFP-KBPBESRZSA-N 2 2 288.395 1.130 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038699301 726006917 /nfs/dbraw/zinc/00/69/17/726006917.db2.gz LUDPOJFPPUAFFP-KBPBESRZSA-N 2 2 288.395 1.130 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001000817263 726008684 /nfs/dbraw/zinc/00/86/84/726008684.db2.gz IKVOOUAOSCCEEJ-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP N#Cc1ccnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001167573162 896843487 /nfs/dbraw/zinc/84/34/87/896843487.db2.gz SNNZVNRUYAXNSG-UHFFFAOYSA-N 2 2 267.336 1.987 20 30 CDEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168499083 914244716 /nfs/dbraw/zinc/24/47/16/914244716.db2.gz GTSBAAOIXZIESP-UHFFFAOYSA-N 2 2 290.411 1.725 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969932 901085040 /nfs/dbraw/zinc/08/50/40/901085040.db2.gz COQBXKHMEZQYBV-AWEZNQCLSA-N 2 2 296.374 1.780 20 30 CDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969932 901085048 /nfs/dbraw/zinc/08/50/48/901085048.db2.gz COQBXKHMEZQYBV-AWEZNQCLSA-N 2 2 296.374 1.780 20 30 CDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088709785 909182443 /nfs/dbraw/zinc/18/24/43/909182443.db2.gz VXLGJNYGUCTAFA-DOMZBBRYSA-N 2 2 282.347 1.160 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088709785 909182455 /nfs/dbraw/zinc/18/24/55/909182455.db2.gz VXLGJNYGUCTAFA-DOMZBBRYSA-N 2 2 282.347 1.160 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784260 910958252 /nfs/dbraw/zinc/95/82/52/910958252.db2.gz MFELEMYOSATFNN-CQSZACIVSA-N 2 2 298.390 1.846 20 30 CDEDLP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172487994 911724158 /nfs/dbraw/zinc/72/41/58/911724158.db2.gz KCFCTLOPSDVAJL-KGLIPLIRSA-N 2 2 265.401 1.912 20 30 CDEDLP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172487994 911724162 /nfs/dbraw/zinc/72/41/62/911724162.db2.gz KCFCTLOPSDVAJL-KGLIPLIRSA-N 2 2 265.401 1.912 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001095021568 912201864 /nfs/dbraw/zinc/20/18/64/912201864.db2.gz GYKZFXXIHQJIHE-MJBXVCDLSA-N 2 2 288.395 1.497 20 30 CDEDLP C=C(C[NH+]1CCCC1)C(=O)Nc1cccc2[nH+]ccn21 ZINC001183026866 918261731 /nfs/dbraw/zinc/26/17/31/918261731.db2.gz BLEPUYHTYFLEHS-UHFFFAOYSA-N 2 2 270.336 1.925 20 30 CDEDLP C=CCCC[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197817570 925243558 /nfs/dbraw/zinc/24/35/58/925243558.db2.gz MVBFVMLYICWZPE-UHFFFAOYSA-N 2 2 290.411 1.463 20 30 CDEDLP C=CCCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197817570 925243566 /nfs/dbraw/zinc/24/35/66/925243566.db2.gz MVBFVMLYICWZPE-UHFFFAOYSA-N 2 2 290.411 1.463 20 30 CDEDLP C#CCC[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201259959 926245893 /nfs/dbraw/zinc/24/58/93/926245893.db2.gz ITRCUMNJUNOPDF-UHFFFAOYSA-N 2 2 296.374 1.780 20 30 CDEDLP CC[C@H](C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001169125243 927736948 /nfs/dbraw/zinc/73/69/48/927736948.db2.gz XBXAQPCIORQHLK-WJTVCTBASA-N 2 2 269.389 1.121 20 30 CDEDLP CC[C@H](C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NO ZINC001169125243 927736952 /nfs/dbraw/zinc/73/69/52/927736952.db2.gz XBXAQPCIORQHLK-WJTVCTBASA-N 2 2 269.389 1.121 20 30 CDEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228829 929657002 /nfs/dbraw/zinc/65/70/02/929657002.db2.gz QWBDHRMWNDKXPP-CHWSQXEVSA-N 2 2 278.400 1.791 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134230415 929658063 /nfs/dbraw/zinc/65/80/63/929658063.db2.gz XLLAXSACZBUTGK-STQMWFEESA-N 2 2 276.384 1.239 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055694 930019717 /nfs/dbraw/zinc/01/97/17/930019717.db2.gz GTMWSFORYVRBFZ-KBPBESRZSA-N 2 2 290.411 1.249 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031471 930610213 /nfs/dbraw/zinc/61/02/13/930610213.db2.gz LPDXVSRHDMRHNP-MNOVXSKESA-N 2 2 264.373 1.320 20 30 CDEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001171204431 931953916 /nfs/dbraw/zinc/95/39/16/931953916.db2.gz XUBCFAMZSAWWPV-AWEZNQCLSA-N 2 2 287.407 1.536 20 30 CDEDLP C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(C#N)cc1)C2 ZINC001275829148 932073280 /nfs/dbraw/zinc/07/32/80/932073280.db2.gz SIOGCTDASPPDHT-UHFFFAOYSA-N 2 2 284.407 1.380 20 30 CDEDLP N#Cc1cncc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155052762 937627559 /nfs/dbraw/zinc/62/75/59/937627559.db2.gz FWOSZVXNSCTGID-UHFFFAOYSA-N 2 2 254.297 1.001 20 30 CDEDLP N#CC1(c2cc[nH+]c(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@@H]34)c2)CC1 ZINC001163166383 939218612 /nfs/dbraw/zinc/21/86/12/939218612.db2.gz JMEYEWBFKCKSMC-YUELXQCFSA-N 2 2 298.390 1.673 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166402635 939607571 /nfs/dbraw/zinc/60/75/71/939607571.db2.gz RGEJFCVTKFDNOM-NSHDSACASA-N 2 2 296.802 1.678 20 30 CDEDLP N#Cc1c[nH]c2cc[nH+]c(N3CC[C@H]([NH3+])C(F)(F)C3)c12 ZINC001166958897 939659626 /nfs/dbraw/zinc/65/96/26/939659626.db2.gz LTDVARFLQXWXGR-JTQLQIEISA-N 2 2 277.278 1.607 20 30 CDEDLP C#CCC[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205119199 939824981 /nfs/dbraw/zinc/82/49/81/939824981.db2.gz NLAXRMCNQWNWHE-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001207620860 940222293 /nfs/dbraw/zinc/22/22/93/940222293.db2.gz AIFSXHMCQBZIAB-MGPQQGTHSA-N 2 2 252.406 1.150 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001207620860 940222296 /nfs/dbraw/zinc/22/22/96/940222296.db2.gz AIFSXHMCQBZIAB-MGPQQGTHSA-N 2 2 252.406 1.150 20 30 CDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216396719 940936717 /nfs/dbraw/zinc/93/67/17/940936717.db2.gz FBBUDCDLGXLKEE-CHWSQXEVSA-N 2 2 288.395 1.147 20 30 CDEDLP C=C1CC=C(F)C=C1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220797067 941473049 /nfs/dbraw/zinc/47/30/49/941473049.db2.gz IMBJZZCNYVMYQU-NSHDSACASA-N 2 2 262.288 1.093 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227792512 942225519 /nfs/dbraw/zinc/22/55/19/942225519.db2.gz OZYPWCPFXHSQMU-UHFFFAOYSA-N 2 2 299.846 1.804 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229933601 942554156 /nfs/dbraw/zinc/55/41/56/942554156.db2.gz RHGXJLMSXXVQKE-ZIAGYGMSSA-N 2 2 288.395 1.301 20 30 CDEDLP N#CCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001277939534 944134780 /nfs/dbraw/zinc/13/47/80/944134780.db2.gz WEANESQNZJMCLL-LSDHHAIUSA-N 2 2 273.384 1.848 20 30 CDEDLP N#Cc1cccc(OCCC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246330765 948111401 /nfs/dbraw/zinc/11/14/01/948111401.db2.gz UQSMERHISLHTNU-AWEZNQCLSA-N 2 2 259.353 1.669 20 30 CDEDLP C[C@H]1C[C@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC[NH2+]1 ZINC001246831193 948464530 /nfs/dbraw/zinc/46/45/30/948464530.db2.gz CQPDYLPJFHGBDG-DZGCQCFKSA-N 2 2 285.395 1.216 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001438528630 963477483 /nfs/dbraw/zinc/47/74/83/963477483.db2.gz OFXCQWHQIFULKY-QWRGUYRKSA-N 2 2 298.818 1.683 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001438528630 963477486 /nfs/dbraw/zinc/47/74/86/963477486.db2.gz OFXCQWHQIFULKY-QWRGUYRKSA-N 2 2 298.818 1.683 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001442623221 965144196 /nfs/dbraw/zinc/14/41/96/965144196.db2.gz WSDGTNJIWXQRAL-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001442623221 965144188 /nfs/dbraw/zinc/14/41/88/965144188.db2.gz WSDGTNJIWXQRAL-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001442623221 965144192 /nfs/dbraw/zinc/14/41/92/965144192.db2.gz WSDGTNJIWXQRAL-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001442623221 965144198 /nfs/dbraw/zinc/14/41/98/965144198.db2.gz WSDGTNJIWXQRAL-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001351339000 966916819 /nfs/dbraw/zinc/91/68/19/966916819.db2.gz NFMVUJCUWVRFKX-ZDUSSCGKSA-N 2 2 297.362 1.553 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001351339000 966916827 /nfs/dbraw/zinc/91/68/27/966916827.db2.gz NFMVUJCUWVRFKX-ZDUSSCGKSA-N 2 2 297.362 1.553 20 30 CDEDLP C#CC[NH+]1CCC(OC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001526629375 968580762 /nfs/dbraw/zinc/58/07/62/968580762.db2.gz DHYICYBFMFKEPP-CYBMUJFWSA-N 2 2 275.352 1.475 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001521464244 970299608 /nfs/dbraw/zinc/29/96/08/970299608.db2.gz RCUPYVJBLAISEE-CQSZACIVSA-N 2 2 276.384 1.730 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000598720053 343883258 /nfs/dbraw/zinc/88/32/58/343883258.db2.gz LSYYCJBYLUUCDA-ZIAGYGMSSA-N 2 2 265.401 1.361 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000598720053 343883261 /nfs/dbraw/zinc/88/32/61/343883261.db2.gz LSYYCJBYLUUCDA-ZIAGYGMSSA-N 2 2 265.401 1.361 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000602563925 344482051 /nfs/dbraw/zinc/48/20/51/344482051.db2.gz IDHXGVAVIINVFX-QWHCGFSZSA-N 2 2 255.431 1.953 20 30 CDEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000618888267 345419514 /nfs/dbraw/zinc/41/95/14/345419514.db2.gz OXRYPOITFSQCIR-HUUCEWRRSA-N 2 2 265.401 1.580 20 30 CDEDLP C[C@H](CCC#N)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000618888267 345419516 /nfs/dbraw/zinc/41/95/16/345419516.db2.gz OXRYPOITFSQCIR-HUUCEWRRSA-N 2 2 265.401 1.580 20 30 CDEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000618888254 345419623 /nfs/dbraw/zinc/41/96/23/345419623.db2.gz OXRYPOITFSQCIR-CABCVRRESA-N 2 2 265.401 1.580 20 30 CDEDLP C[C@H](CCC#N)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000618888254 345419625 /nfs/dbraw/zinc/41/96/25/345419625.db2.gz OXRYPOITFSQCIR-CABCVRRESA-N 2 2 265.401 1.580 20 30 CDEDLP C=C(C)C[NH+]1CCC(NCc2[nH+]cc(C)n2C)CC1 ZINC000341026771 345538159 /nfs/dbraw/zinc/53/81/59/345538159.db2.gz SQRDVXIPZDFCAT-UHFFFAOYSA-N 2 2 262.401 1.859 20 30 CDEDLP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000641768327 365834350 /nfs/dbraw/zinc/83/43/50/365834350.db2.gz ZKDYJVMCKJIGGF-ZDUSSCGKSA-N 2 2 292.345 1.767 20 30 CDEDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602657686 350138897 /nfs/dbraw/zinc/13/88/97/350138897.db2.gz RLBLCDARPNPJQC-CYBMUJFWSA-N 2 2 258.369 1.773 20 30 CDEDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602657686 350138900 /nfs/dbraw/zinc/13/89/00/350138900.db2.gz RLBLCDARPNPJQC-CYBMUJFWSA-N 2 2 258.369 1.773 20 30 CDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910151 350326419 /nfs/dbraw/zinc/32/64/19/350326419.db2.gz KVQCVEODEHSZTC-FPMFFAJLSA-N 2 2 284.363 1.036 20 30 CDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910151 350326423 /nfs/dbraw/zinc/32/64/23/350326423.db2.gz KVQCVEODEHSZTC-FPMFFAJLSA-N 2 2 284.363 1.036 20 30 CDEDLP CCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000264121597 362973154 /nfs/dbraw/zinc/97/31/54/362973154.db2.gz VCDPHGYYTOXTBT-NSHDSACASA-N 2 2 252.362 1.587 20 30 CDEDLP CN(C)C(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264136233 362976585 /nfs/dbraw/zinc/97/65/85/362976585.db2.gz VICLZFUGTADPSZ-UHFFFAOYSA-N 2 2 257.341 1.308 20 30 CDEDLP C=CC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121577463 356811594 /nfs/dbraw/zinc/81/15/94/356811594.db2.gz ACGYZPZNLLXGPB-AWEZNQCLSA-N 2 2 288.395 1.237 20 30 CDEDLP C=CC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121577463 356811595 /nfs/dbraw/zinc/81/15/95/356811595.db2.gz ACGYZPZNLLXGPB-AWEZNQCLSA-N 2 2 288.395 1.237 20 30 CDEDLP C#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365286525 359258706 /nfs/dbraw/zinc/25/87/06/359258706.db2.gz NYWPWPGQSHYAMK-MRXNPFEDSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365286525 359258710 /nfs/dbraw/zinc/25/87/10/359258710.db2.gz NYWPWPGQSHYAMK-MRXNPFEDSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(C)CCCC[C@@H]2C)CC1 ZINC000491370829 365067412 /nfs/dbraw/zinc/06/74/12/365067412.db2.gz BGTLLPPUWPPWKR-RDJZCZTQSA-N 2 2 291.439 1.322 20 30 CDEDLP COCCO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000170641637 365079395 /nfs/dbraw/zinc/07/93/95/365079395.db2.gz QPBDUWLUCLDDQK-UHFFFAOYSA-N 2 2 291.395 1.956 20 30 CDEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)NC1CC1 ZINC000171612561 365333008 /nfs/dbraw/zinc/33/30/08/365333008.db2.gz GVKYMTAMPYMINA-UHFFFAOYSA-N 2 2 284.367 1.485 20 30 CDEDLP COCC[N@H+](C)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000177684753 372107323 /nfs/dbraw/zinc/10/73/23/372107323.db2.gz VSXATAIHJINBJO-UHFFFAOYSA-N 2 2 267.398 1.678 20 30 CDEDLP COCC[N@@H+](C)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000177684753 372107331 /nfs/dbraw/zinc/10/73/31/372107331.db2.gz VSXATAIHJINBJO-UHFFFAOYSA-N 2 2 267.398 1.678 20 30 CDEDLP C=C(CC)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578064668 372250022 /nfs/dbraw/zinc/25/00/22/372250022.db2.gz PCMMHZMIGZZEHW-HZSPNIEDSA-N 2 2 256.390 1.012 20 30 CDEDLP C=C(CC)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578064668 372250029 /nfs/dbraw/zinc/25/00/29/372250029.db2.gz PCMMHZMIGZZEHW-HZSPNIEDSA-N 2 2 256.390 1.012 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000361557630 374045352 /nfs/dbraw/zinc/04/53/52/374045352.db2.gz SAPAPRRHFQNMBO-MRXNPFEDSA-N 2 2 282.347 1.945 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000361557630 374045357 /nfs/dbraw/zinc/04/53/57/374045357.db2.gz SAPAPRRHFQNMBO-MRXNPFEDSA-N 2 2 282.347 1.945 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003587 377218597 /nfs/dbraw/zinc/21/85/97/377218597.db2.gz VATGQBBTCZACAO-UONOGXRCSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003587 377218601 /nfs/dbraw/zinc/21/86/01/377218601.db2.gz VATGQBBTCZACAO-UONOGXRCSA-N 2 2 267.417 1.341 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)CC ZINC000491537162 391153997 /nfs/dbraw/zinc/15/39/97/391153997.db2.gz OTUIYVZYXBQUCO-MRXNPFEDSA-N 2 2 260.381 1.434 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)CC ZINC000491537162 391154000 /nfs/dbraw/zinc/15/40/00/391154000.db2.gz OTUIYVZYXBQUCO-MRXNPFEDSA-N 2 2 260.381 1.434 20 30 CDEDLP C#CC[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)CC ZINC000491537162 391154001 /nfs/dbraw/zinc/15/40/01/391154001.db2.gz OTUIYVZYXBQUCO-MRXNPFEDSA-N 2 2 260.381 1.434 20 30 CDEDLP C#CC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)CC ZINC000491537162 391154003 /nfs/dbraw/zinc/15/40/03/391154003.db2.gz OTUIYVZYXBQUCO-MRXNPFEDSA-N 2 2 260.381 1.434 20 30 CDEDLP Cc1[nH]c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c[nH+]1 ZINC000330456765 391424596 /nfs/dbraw/zinc/42/45/96/391424596.db2.gz NYOXSQKINYZUKY-SECBINFHSA-N 2 2 252.362 1.999 20 30 CDEDLP C=CCc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(OC)c1O ZINC000359457979 391596824 /nfs/dbraw/zinc/59/68/24/391596824.db2.gz JTBMUKVMXWIKPE-GJZGRUSLSA-N 2 2 288.391 1.781 20 30 CDEDLP C[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261955889 391740564 /nfs/dbraw/zinc/74/05/64/391740564.db2.gz ITMPQBKRMPXWTO-AJNGGQMLSA-N 2 2 289.427 1.997 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372988981 391869483 /nfs/dbraw/zinc/86/94/83/391869483.db2.gz HCGWHDTVQLHXGY-CHWSQXEVSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372988981 391869485 /nfs/dbraw/zinc/86/94/85/391869485.db2.gz HCGWHDTVQLHXGY-CHWSQXEVSA-N 2 2 253.390 1.093 20 30 CDEDLP COC[C@@]1(C[NH2+][C@H](C)c2cccc(C#N)c2)CCC[NH2+]1 ZINC000423412390 392962809 /nfs/dbraw/zinc/96/28/09/392962809.db2.gz HNQSUYOZYPTYIX-CJNGLKHVSA-N 2 2 273.380 1.977 20 30 CDEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000657878469 413067747 /nfs/dbraw/zinc/06/77/47/413067747.db2.gz NKISJOGHCLQBJT-OAGGEKHMSA-N 2 2 265.445 1.957 20 30 CDEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000657878469 413067751 /nfs/dbraw/zinc/06/77/51/413067751.db2.gz NKISJOGHCLQBJT-OAGGEKHMSA-N 2 2 265.445 1.957 20 30 CDEDLP CCCNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104154572 261342815 /nfs/dbraw/zinc/34/28/15/261342815.db2.gz MWJLGZGHQLUPSG-HNNXBMFYSA-N 2 2 290.411 1.202 20 30 CDEDLP CCCNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104154572 261342818 /nfs/dbraw/zinc/34/28/18/261342818.db2.gz MWJLGZGHQLUPSG-HNNXBMFYSA-N 2 2 290.411 1.202 20 30 CDEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])N(C)C1CC1 ZINC000273324472 263015488 /nfs/dbraw/zinc/01/54/88/263015488.db2.gz HDFAQPBFTQPXBW-UHFFFAOYSA-N 2 2 284.367 1.485 20 30 CDEDLP C=C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353582508 263194904 /nfs/dbraw/zinc/19/49/04/263194904.db2.gz RVZDKMKHCBKYOE-MRXNPFEDSA-N 2 2 285.391 1.659 20 30 CDEDLP CCNC(NCc1ccc(-n2cc[nH+]c2)nc1)=[NH+]CC ZINC000368697601 267198436 /nfs/dbraw/zinc/19/84/36/267198436.db2.gz ZMXKTAWPBCVVJH-UHFFFAOYSA-N 2 2 272.356 1.342 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000252969234 279369732 /nfs/dbraw/zinc/36/97/32/279369732.db2.gz VXYWNWJKZWJCAQ-XJKCOSOUSA-N 2 2 273.380 1.976 20 30 CDEDLP N#CCSCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565959077 327097378 /nfs/dbraw/zinc/09/73/78/327097378.db2.gz IMIPFMUCMCEYNW-UHFFFAOYSA-N 2 2 265.386 1.179 20 30 CDEDLP C#C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(C)C ZINC000377691543 329024988 /nfs/dbraw/zinc/02/49/88/329024988.db2.gz AWEIPCPMQOEHMZ-QGZVFWFLSA-N 2 2 293.455 1.030 20 30 CDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C(C)C ZINC000377691543 329024990 /nfs/dbraw/zinc/02/49/90/329024990.db2.gz 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ZINC001752157406 1159456481 /nfs/dbraw/zinc/45/64/81/1159456481.db2.gz PTGCZBFBWOONCL-LSDHHAIUSA-N 2 2 288.395 1.266 20 30 CDEDLP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001753698352 1159887784 /nfs/dbraw/zinc/88/77/84/1159887784.db2.gz ASQAXMWANZAJMV-ZIAGYGMSSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CCOCCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000347965360 526751127 /nfs/dbraw/zinc/75/11/27/526751127.db2.gz LTGBUWZUQIDQTO-HNNXBMFYSA-N 2 2 282.428 1.764 20 30 CDEDLP C=CCOCCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000347965360 526751130 /nfs/dbraw/zinc/75/11/30/526751130.db2.gz LTGBUWZUQIDQTO-HNNXBMFYSA-N 2 2 282.428 1.764 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000730105416 574850188 /nfs/dbraw/zinc/85/01/88/574850188.db2.gz IELQLFOAPJBUQI-XHSDSOJGSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000730105416 574850191 /nfs/dbraw/zinc/85/01/91/574850191.db2.gz IELQLFOAPJBUQI-XHSDSOJGSA-N 2 2 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/nfs/dbraw/zinc/13/90/35/728139035.db2.gz LWLRKFAPFFJYOA-GJZGRUSLSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033579917 728191792 /nfs/dbraw/zinc/19/17/92/728191792.db2.gz AVIQLOORJOZPIW-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033579917 728191796 /nfs/dbraw/zinc/19/17/96/728191796.db2.gz AVIQLOORJOZPIW-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033579917 728191797 /nfs/dbraw/zinc/19/17/97/728191797.db2.gz AVIQLOORJOZPIW-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033579917 728191800 /nfs/dbraw/zinc/19/18/00/728191800.db2.gz AVIQLOORJOZPIW-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006472061 728223142 /nfs/dbraw/zinc/22/31/42/728223142.db2.gz AIGITAFJBFWJBL-UHFFFAOYSA-N 2 2 290.411 1.772 20 30 CDEDLP C[NH+]1CCC2(C[NH+](Cc3cc(C#N)ccc3O)C2)CC1 ZINC001232678320 912383923 /nfs/dbraw/zinc/38/39/23/912383923.db2.gz URZMVJJDLYJBHC-UHFFFAOYSA-N 2 2 271.364 1.791 20 30 CDEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992530142 913270172 /nfs/dbraw/zinc/27/01/72/913270172.db2.gz JMWOZRJJKNKBIQ-GDBMZVCRSA-N 2 2 286.379 1.020 20 30 CDEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992530142 913270189 /nfs/dbraw/zinc/27/01/89/913270189.db2.gz JMWOZRJJKNKBIQ-GDBMZVCRSA-N 2 2 286.379 1.020 20 30 CDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175460298 913636462 /nfs/dbraw/zinc/63/64/62/913636462.db2.gz GIKKANCWQFARTN-ZDUSSCGKSA-N 2 2 276.384 1.240 20 30 CDEDLP N#Cc1ccc2nc(C[N@H+]3CCC[C@H]([NH3+])CC3)cn2c1 ZINC001205123628 913824948 /nfs/dbraw/zinc/82/49/48/913824948.db2.gz DEBIHPKFUHONNA-ZDUSSCGKSA-N 2 2 269.352 1.519 20 30 CDEDLP N#Cc1ccc2nc(C[N@@H+]3CCC[C@H]([NH3+])CC3)cn2c1 ZINC001205123628 913824966 /nfs/dbraw/zinc/82/49/66/913824966.db2.gz DEBIHPKFUHONNA-ZDUSSCGKSA-N 2 2 269.352 1.519 20 30 CDEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176174104 913977607 /nfs/dbraw/zinc/97/76/07/913977607.db2.gz BESGCIBZRYIUHS-AWEZNQCLSA-N 2 2 292.427 1.803 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028315327 902216702 /nfs/dbraw/zinc/21/67/02/902216702.db2.gz IBIVKPNFOMWONA-QWHCGFSZSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028315327 902216711 /nfs/dbraw/zinc/21/67/11/902216711.db2.gz IBIVKPNFOMWONA-QWHCGFSZSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028315327 902216723 /nfs/dbraw/zinc/21/67/23/902216723.db2.gz IBIVKPNFOMWONA-QWHCGFSZSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028315327 902216730 /nfs/dbraw/zinc/21/67/30/902216730.db2.gz IBIVKPNFOMWONA-QWHCGFSZSA-N 2 2 285.819 1.271 20 30 CDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001088305941 906856509 /nfs/dbraw/zinc/85/65/09/906856509.db2.gz MMHWNYAYYWCRFD-AWEZNQCLSA-N 2 2 288.395 1.336 20 30 CDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001088414179 907130661 /nfs/dbraw/zinc/13/06/61/907130661.db2.gz ZBGUYEDUNYNKML-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189245895 921384148 /nfs/dbraw/zinc/38/41/48/921384148.db2.gz HKVNMUKPSGJRDJ-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189245895 921384159 /nfs/dbraw/zinc/38/41/59/921384159.db2.gz HKVNMUKPSGJRDJ-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171890464 911004095 /nfs/dbraw/zinc/00/40/95/911004095.db2.gz XAWOXFAVQMBYKT-CQSZACIVSA-N 2 2 290.411 1.251 20 30 CDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179777363 915959860 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C=CCCC[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871227 936941877 /nfs/dbraw/zinc/94/18/77/936941877.db2.gz IGCALBPVJJOEDH-UHFFFAOYSA-N 2 2 290.411 1.413 20 30 CDEDLP C[C@H](O)CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000842035600 937029164 /nfs/dbraw/zinc/02/91/64/937029164.db2.gz CQSNFZXKLDVVPG-NSHDSACASA-N 2 2 265.357 1.156 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@H+]2C2CC[NH+](C)CC2)C1=O ZINC001273827838 926059263 /nfs/dbraw/zinc/05/92/63/926059263.db2.gz XIKGOWSUADXJKD-INIZCTEOSA-N 2 2 277.412 1.334 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@@H+]2C2CC[NH+](C)CC2)C1=O ZINC001273827838 926059269 /nfs/dbraw/zinc/05/92/69/926059269.db2.gz XIKGOWSUADXJKD-INIZCTEOSA-N 2 2 277.412 1.334 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673135 926273887 /nfs/dbraw/zinc/27/38/87/926273887.db2.gz QNYMHPOQMZBJMQ-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673135 926273898 /nfs/dbraw/zinc/27/38/98/926273898.db2.gz QNYMHPOQMZBJMQ-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085673135 926273908 /nfs/dbraw/zinc/27/39/08/926273908.db2.gz QNYMHPOQMZBJMQ-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085673135 926273911 /nfs/dbraw/zinc/27/39/11/926273911.db2.gz QNYMHPOQMZBJMQ-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114957440 937312010 /nfs/dbraw/zinc/31/20/10/937312010.db2.gz SMKKMLXWZVPUBN-SPWCGHHHSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114957440 937312014 /nfs/dbraw/zinc/31/20/14/937312014.db2.gz SMKKMLXWZVPUBN-SPWCGHHHSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114957440 937312018 /nfs/dbraw/zinc/31/20/18/937312018.db2.gz SMKKMLXWZVPUBN-SPWCGHHHSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114957440 937312021 /nfs/dbraw/zinc/31/20/21/937312021.db2.gz SMKKMLXWZVPUBN-SPWCGHHHSA-N 2 2 288.395 1.211 20 30 CDEDLP C=C[C@@](C)(O)C[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001252571292 929432820 /nfs/dbraw/zinc/43/28/20/929432820.db2.gz HIUZPVUANMIZPC-MRXNPFEDSA-N 2 2 260.381 1.645 20 30 CDEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135056083 930019930 /nfs/dbraw/zinc/01/99/30/930019930.db2.gz KEPWRLUWVMFAIL-KBPBESRZSA-N 2 2 292.427 1.802 20 30 CDEDLP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552162 930260837 /nfs/dbraw/zinc/26/08/37/930260837.db2.gz BJLVVTDXEIHPNX-STQMWFEESA-N 2 2 294.399 1.028 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001274964369 931618169 /nfs/dbraw/zinc/61/81/69/931618169.db2.gz KYJNTIRRWWLAED-JKSUJKDBSA-N 2 2 274.412 1.855 20 30 CDEDLP C=CCCC[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001274964369 931618170 /nfs/dbraw/zinc/61/81/70/931618170.db2.gz KYJNTIRRWWLAED-JKSUJKDBSA-N 2 2 274.412 1.855 20 30 CDEDLP CC[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C#N)C[C@H](CC)[NH2+]1 ZINC001246596983 932049141 /nfs/dbraw/zinc/04/91/41/932049141.db2.gz ZYYIUFVIAILDJY-DGAVXFQQSA-N 2 2 250.390 1.093 20 30 CDEDLP N#CCOc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925623780 932916219 /nfs/dbraw/zinc/91/62/19/932916219.db2.gz XAFBYIXKCGOJRB-AYIQCDPPSA-N 2 2 283.375 1.675 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009345965 935424122 /nfs/dbraw/zinc/42/41/22/935424122.db2.gz JIKPYCATYMQTCZ-LBPRGKRZSA-N 2 2 262.357 1.027 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009345965 935424123 /nfs/dbraw/zinc/42/41/23/935424123.db2.gz JIKPYCATYMQTCZ-LBPRGKRZSA-N 2 2 262.357 1.027 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001018877737 935687010 /nfs/dbraw/zinc/68/70/10/935687010.db2.gz VSTCPLLETPJOQC-ZDUSSCGKSA-N 2 2 288.395 1.138 20 30 CDEDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C#N)n(C)c1 ZINC001207110122 940151592 /nfs/dbraw/zinc/15/15/92/940151592.db2.gz DNFDJJHOMJDDKN-UHFFFAOYSA-N 2 2 257.341 1.615 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210674397 940706028 /nfs/dbraw/zinc/70/60/28/940706028.db2.gz UZZQVVQNECKBFJ-CYBMUJFWSA-N 2 2 288.395 1.291 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227847763 942237373 /nfs/dbraw/zinc/23/73/73/942237373.db2.gz BCXGICKYPRNFAM-HUUCEWRRSA-N 2 2 288.395 1.314 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235145349 944069613 /nfs/dbraw/zinc/06/96/13/944069613.db2.gz XZYQZGGEOCSRPP-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235145349 944069623 /nfs/dbraw/zinc/06/96/23/944069623.db2.gz XZYQZGGEOCSRPP-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235145349 944069626 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CCCCCCCC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246068161 947923355 /nfs/dbraw/zinc/92/33/55/947923355.db2.gz ZEFQGYBWJNDUPE-CABCVRRESA-N 2 2 284.444 1.757 20 30 CDEDLP C=C[C@@](C)(O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001252556036 951446521 /nfs/dbraw/zinc/44/65/21/951446521.db2.gz DDKNFSMTPZVERR-DZGCQCFKSA-N 2 2 262.353 1.780 20 30 CDEDLP C=C[C@@](C)(O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001252556036 951446527 /nfs/dbraw/zinc/44/65/27/951446527.db2.gz DDKNFSMTPZVERR-DZGCQCFKSA-N 2 2 262.353 1.780 20 30 CDEDLP C=C[C@@](C)(O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001252571175 951464483 /nfs/dbraw/zinc/46/44/83/951464483.db2.gz FNIXHEQNJCFHSR-QGZVFWFLSA-N 2 2 290.407 1.545 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001366135996 956592308 /nfs/dbraw/zinc/59/23/08/956592308.db2.gz PMHLEKLMBPWOQP-JOCQHMNTSA-N 2 2 296.802 1.653 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)Cc1c[nH+]cn1C ZINC001444044633 965721812 /nfs/dbraw/zinc/72/18/12/965721812.db2.gz XBSDTUAVDWBLCK-NSHDSACASA-N 2 2 284.791 1.200 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001496614391 972989681 /nfs/dbraw/zinc/98/96/81/972989681.db2.gz CCSWYEZHWDBHBT-NSHDSACASA-N 2 2 284.791 1.435 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001403961192 977281752 /nfs/dbraw/zinc/28/17/52/977281752.db2.gz OJIDYCBPIMRQEM-NSHDSACASA-N 2 2 298.818 1.825 20 30 CDEDLP C[C@@H]1C[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000329795005 362056409 /nfs/dbraw/zinc/05/64/09/362056409.db2.gz CLHXGLUYHGXOIY-NEPJUHHUSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@@H]1C[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000329795005 362056411 /nfs/dbraw/zinc/05/64/11/362056411.db2.gz CLHXGLUYHGXOIY-NEPJUHHUSA-N 2 2 277.372 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959008 342362275 /nfs/dbraw/zinc/36/22/75/342362275.db2.gz LHEJRBUAKSKDPT-NEPJUHHUSA-N 2 2 262.357 1.280 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959008 342362276 /nfs/dbraw/zinc/36/22/76/342362276.db2.gz LHEJRBUAKSKDPT-NEPJUHHUSA-N 2 2 262.357 1.280 20 30 CDEDLP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1C#N ZINC000598717531 343882220 /nfs/dbraw/zinc/88/22/20/343882220.db2.gz GQNIDRPAVLNHDV-HOCLYGCPSA-N 2 2 271.364 1.880 20 30 CDEDLP COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1C#N ZINC000598717531 343882221 /nfs/dbraw/zinc/88/22/21/343882221.db2.gz GQNIDRPAVLNHDV-HOCLYGCPSA-N 2 2 271.364 1.880 20 30 CDEDLP CC(C)[NH+]1CCC(C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000602335195 344403415 /nfs/dbraw/zinc/40/34/15/344403415.db2.gz VEOSOHOTAIMSQM-HNNXBMFYSA-N 2 2 280.416 1.067 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000602638179 344510999 /nfs/dbraw/zinc/51/09/99/344510999.db2.gz MAMUMBYXYIALNR-HNNXBMFYSA-N 2 2 277.412 1.937 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000602638179 344511001 /nfs/dbraw/zinc/51/10/01/344511001.db2.gz MAMUMBYXYIALNR-HNNXBMFYSA-N 2 2 277.412 1.937 20 30 CDEDLP N#CCC1(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000602802414 344591994 /nfs/dbraw/zinc/59/19/94/344591994.db2.gz SWTVJRJRCPHTEP-AWEZNQCLSA-N 2 2 290.411 1.094 20 30 CDEDLP N#CCC1(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000602802414 344591996 /nfs/dbraw/zinc/59/19/96/344591996.db2.gz SWTVJRJRCPHTEP-AWEZNQCLSA-N 2 2 290.411 1.094 20 30 CDEDLP CC1(C#N)CCC([NH2+][C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000449396216 362691055 /nfs/dbraw/zinc/69/10/55/362691055.db2.gz KSNZXJSTJRCLHC-PCKAHOCUSA-N 2 2 279.428 1.895 20 30 CDEDLP CC1(C#N)CCC([NH2+][C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000449396216 362691057 /nfs/dbraw/zinc/69/10/57/362691057.db2.gz KSNZXJSTJRCLHC-PCKAHOCUSA-N 2 2 279.428 1.895 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000397689067 347782443 /nfs/dbraw/zinc/78/24/43/347782443.db2.gz WMEGFCBIRZPIRU-JSGCOSHPSA-N 2 2 251.374 1.067 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000397689067 347782444 /nfs/dbraw/zinc/78/24/44/347782444.db2.gz WMEGFCBIRZPIRU-JSGCOSHPSA-N 2 2 251.374 1.067 20 30 CDEDLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000397689067 347782445 /nfs/dbraw/zinc/78/24/45/347782445.db2.gz WMEGFCBIRZPIRU-JSGCOSHPSA-N 2 2 251.374 1.067 20 30 CDEDLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000397689067 347782446 /nfs/dbraw/zinc/78/24/46/347782446.db2.gz WMEGFCBIRZPIRU-JSGCOSHPSA-N 2 2 251.374 1.067 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000602513005 350116260 /nfs/dbraw/zinc/11/62/60/350116260.db2.gz YUPYOUBDIHGKSS-LBPRGKRZSA-N 2 2 256.353 1.527 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000602513005 350116265 /nfs/dbraw/zinc/11/62/65/350116265.db2.gz YUPYOUBDIHGKSS-LBPRGKRZSA-N 2 2 256.353 1.527 20 30 CDEDLP COCC[N@H+](C)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602511829 350117275 /nfs/dbraw/zinc/11/72/75/350117275.db2.gz RREYVVCBUGGRQD-UHFFFAOYSA-N 2 2 262.357 1.011 20 30 CDEDLP COCC[N@@H+](C)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602511829 350117277 /nfs/dbraw/zinc/11/72/77/350117277.db2.gz RREYVVCBUGGRQD-UHFFFAOYSA-N 2 2 262.357 1.011 20 30 CDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603910153 350326865 /nfs/dbraw/zinc/32/68/65/350326865.db2.gz KVQCVEODEHSZTC-XBFCOCLRSA-N 2 2 284.363 1.036 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264110481 362969490 /nfs/dbraw/zinc/96/94/90/362969490.db2.gz OTTRPYMTNZKENV-SMDDNHRTSA-N 2 2 296.390 1.368 20 30 CDEDLP CC[NH+](CC)[C@@H](CNC(NC)=[NH+]C)c1ccco1 ZINC000264108307 362969816 /nfs/dbraw/zinc/96/98/16/362969816.db2.gz PYCUSIPWJXZUPR-NSHDSACASA-N 2 2 252.362 1.457 20 30 CDEDLP C#CC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000277083095 359554561 /nfs/dbraw/zinc/55/45/61/359554561.db2.gz YBQKLFKTJUYILW-UHFFFAOYSA-N 2 2 299.418 1.464 20 30 CDEDLP C#CC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000277083095 359554566 /nfs/dbraw/zinc/55/45/66/359554566.db2.gz YBQKLFKTJUYILW-UHFFFAOYSA-N 2 2 299.418 1.464 20 30 CDEDLP C=CC[NH+]1CCC(Nc2nc[nH+]c(N)c2Cl)CC1 ZINC000277394681 359561573 /nfs/dbraw/zinc/56/15/73/359561573.db2.gz JKFCUANWTPIAKO-UHFFFAOYSA-N 2 2 267.764 1.775 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000337198519 360021421 /nfs/dbraw/zinc/02/14/21/360021421.db2.gz YDGFSGIGYDCLQX-JKSUJKDBSA-N 2 2 291.439 1.581 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000337198519 360021424 /nfs/dbraw/zinc/02/14/24/360021424.db2.gz YDGFSGIGYDCLQX-JKSUJKDBSA-N 2 2 291.439 1.581 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000337188317 360031193 /nfs/dbraw/zinc/03/11/93/360031193.db2.gz QGVJHXLYTABSLY-ZIAGYGMSSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000337188317 360031196 /nfs/dbraw/zinc/03/11/96/360031196.db2.gz QGVJHXLYTABSLY-ZIAGYGMSSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000337188317 360031202 /nfs/dbraw/zinc/03/12/02/360031202.db2.gz QGVJHXLYTABSLY-ZIAGYGMSSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000337188317 360031207 /nfs/dbraw/zinc/03/12/07/360031207.db2.gz QGVJHXLYTABSLY-ZIAGYGMSSA-N 2 2 265.401 1.047 20 30 CDEDLP CCn1c[nH+]cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000580704383 363938339 /nfs/dbraw/zinc/93/83/39/363938339.db2.gz RGHFDANQEQGBNY-OAHLLOKOSA-N 2 2 297.362 1.823 20 30 CDEDLP CCn1c[nH+]cc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000580704383 363938345 /nfs/dbraw/zinc/93/83/45/363938345.db2.gz RGHFDANQEQGBNY-OAHLLOKOSA-N 2 2 297.362 1.823 20 30 CDEDLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000581997382 364060565 /nfs/dbraw/zinc/06/05/65/364060565.db2.gz CNDNYDJNVIXCKX-AEFFLSMTSA-N 2 2 298.434 1.819 20 30 CDEDLP CN(C)C(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000170906446 365159385 /nfs/dbraw/zinc/15/93/85/365159385.db2.gz XTUMLICYDFCJJI-LBPRGKRZSA-N 2 2 252.337 1.305 20 30 CDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000305118838 370869458 /nfs/dbraw/zinc/86/94/58/370869458.db2.gz LSQLIZZBRKNJGA-DZGCQCFKSA-N 2 2 262.353 1.862 20 30 CDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000305118838 370869461 /nfs/dbraw/zinc/86/94/61/370869461.db2.gz LSQLIZZBRKNJGA-DZGCQCFKSA-N 2 2 262.353 1.862 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342756837 374502866 /nfs/dbraw/zinc/50/28/66/374502866.db2.gz SXMVOLBXBOKBLK-UHFFFAOYSA-N 2 2 295.390 1.808 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000058157811 375676532 /nfs/dbraw/zinc/67/65/32/375676532.db2.gz XZCZZIACKGIBDV-SNVBAGLBSA-N 2 2 252.387 1.441 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](CCC[NH3+])Cc2ccccc2)C1=O ZINC000420305981 376325481 /nfs/dbraw/zinc/32/54/81/376325481.db2.gz HEBAPFAOIBYBCM-MRXNPFEDSA-N 2 2 287.407 1.624 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](CCC[NH3+])Cc2ccccc2)C1=O ZINC000420305981 376325484 /nfs/dbraw/zinc/32/54/84/376325484.db2.gz HEBAPFAOIBYBCM-MRXNPFEDSA-N 2 2 287.407 1.624 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442659617 378067430 /nfs/dbraw/zinc/06/74/30/378067430.db2.gz YKHMMDANXCMZPS-QLFBSQMISA-N 2 2 265.401 1.625 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442659617 378067432 /nfs/dbraw/zinc/06/74/32/378067432.db2.gz YKHMMDANXCMZPS-QLFBSQMISA-N 2 2 265.401 1.625 20 30 CDEDLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1C#N ZINC000443959920 250066811 /nfs/dbraw/zinc/06/68/11/250066811.db2.gz FOPBUHATPVHTNN-INIZCTEOSA-N 2 2 273.380 1.413 20 30 CDEDLP C=C(CC)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000358493562 390661882 /nfs/dbraw/zinc/66/18/82/390661882.db2.gz DOQUCZSJNHGIPI-UHFFFAOYSA-N 2 2 265.401 1.193 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)[C@H]2CC2(C)C)CC1 ZINC000491440638 391129837 /nfs/dbraw/zinc/12/98/37/391129837.db2.gz QDVKEMHWTUEKEL-CABCVRRESA-N 2 2 291.439 1.178 20 30 CDEDLP C[C@@H]1C[N@H+](CCC(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000345952298 391323934 /nfs/dbraw/zinc/32/39/34/391323934.db2.gz NEHNRLAXSGTHED-CVEARBPZSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000345952298 391323937 /nfs/dbraw/zinc/32/39/37/391323937.db2.gz NEHNRLAXSGTHED-CVEARBPZSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404664984 391778586 /nfs/dbraw/zinc/77/85/86/391778586.db2.gz ZBZLATOPNANJIH-RISCZKNCSA-N 2 2 277.343 1.554 20 30 CDEDLP CC[C@H]([NH2+]CC[NH2+]CCOC)c1ccc(C#N)cc1 ZINC000423347175 392962428 /nfs/dbraw/zinc/96/24/28/392962428.db2.gz ZRASVJMQFHHMMI-HNNXBMFYSA-N 2 2 261.369 1.835 20 30 CDEDLP CC[C@@H]([NH2+]CC[NH2+]CCOC)c1ccc(C#N)cc1 ZINC000423347176 392962919 /nfs/dbraw/zinc/96/29/19/392962919.db2.gz ZRASVJMQFHHMMI-OAHLLOKOSA-N 2 2 261.369 1.835 20 30 CDEDLP C=CC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000661378219 414036698 /nfs/dbraw/zinc/03/66/98/414036698.db2.gz APBHHGORUBKSBX-CQSZACIVSA-N 2 2 265.401 1.049 20 30 CDEDLP C=CC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000661378219 414036708 /nfs/dbraw/zinc/03/67/08/414036708.db2.gz APBHHGORUBKSBX-CQSZACIVSA-N 2 2 265.401 1.049 20 30 CDEDLP CC(C)Oc1ccc([C@H](CNC(N)=[NH2+])[NH+](C)C)cc1 ZINC000287239161 263101304 /nfs/dbraw/zinc/10/13/04/263101304.db2.gz ORHHRBKRRJRLBD-ZDUSSCGKSA-N 2 2 264.373 1.350 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479095 280103414 /nfs/dbraw/zinc/10/34/14/280103414.db2.gz MXLYIQDRAJBPLX-IIAWOOMASA-N 2 2 294.443 1.313 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479095 280103416 /nfs/dbraw/zinc/10/34/16/280103416.db2.gz MXLYIQDRAJBPLX-IIAWOOMASA-N 2 2 294.443 1.313 20 30 CDEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000570776945 294304740 /nfs/dbraw/zinc/30/47/40/294304740.db2.gz SUGHSRPZGRJAAE-MRXNPFEDSA-N 2 2 299.422 1.560 20 30 CDEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000570776945 294304742 /nfs/dbraw/zinc/30/47/42/294304742.db2.gz SUGHSRPZGRJAAE-MRXNPFEDSA-N 2 2 299.422 1.560 20 30 CDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583263259 325139879 /nfs/dbraw/zinc/13/98/79/325139879.db2.gz CWSBQSPCGSFNKK-MRXNPFEDSA-N 2 2 296.378 1.129 20 30 CDEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583263259 325139883 /nfs/dbraw/zinc/13/98/83/325139883.db2.gz CWSBQSPCGSFNKK-MRXNPFEDSA-N 2 2 296.378 1.129 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583263259 325139887 /nfs/dbraw/zinc/13/98/87/325139887.db2.gz CWSBQSPCGSFNKK-MRXNPFEDSA-N 2 2 296.378 1.129 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583263259 325139890 /nfs/dbraw/zinc/13/98/90/325139890.db2.gz CWSBQSPCGSFNKK-MRXNPFEDSA-N 2 2 296.378 1.129 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000107286067 327108552 /nfs/dbraw/zinc/10/85/52/327108552.db2.gz AOSBSFRXZVBWDO-UHFFFAOYSA-N 2 2 257.337 1.674 20 30 CDEDLP CC#CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188299090 329367578 /nfs/dbraw/zinc/36/75/78/329367578.db2.gz HKZNVCLMUJMXCF-KRWDZBQOSA-N 2 2 272.392 1.579 20 30 CDEDLP CC#CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188299090 329367580 /nfs/dbraw/zinc/36/75/80/329367580.db2.gz HKZNVCLMUJMXCF-KRWDZBQOSA-N 2 2 272.392 1.579 20 30 CDEDLP CC#CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188299090 329367581 /nfs/dbraw/zinc/36/75/81/329367581.db2.gz HKZNVCLMUJMXCF-KRWDZBQOSA-N 2 2 272.392 1.579 20 30 CDEDLP CC#CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188299090 329367583 /nfs/dbraw/zinc/36/75/83/329367583.db2.gz HKZNVCLMUJMXCF-KRWDZBQOSA-N 2 2 272.392 1.579 20 30 CDEDLP C[C@@H]1CCCN(C(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000262542066 330020408 /nfs/dbraw/zinc/02/04/08/330020408.db2.gz SKHFDTDGWGMMCB-LLVKDONJSA-N 2 2 278.404 1.033 20 30 CDEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])NC(C)(C)C)C[C@H](C)O1 ZINC000263258935 330050808 /nfs/dbraw/zinc/05/08/08/330050808.db2.gz RVUZOSGKKHHEJY-TXEJJXNPSA-N 2 2 284.448 1.577 20 30 CDEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])NC(C)(C)C)C[C@H](C)O1 ZINC000263258935 330050809 /nfs/dbraw/zinc/05/08/09/330050809.db2.gz RVUZOSGKKHHEJY-TXEJJXNPSA-N 2 2 284.448 1.577 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423094150 330169500 /nfs/dbraw/zinc/16/95/00/330169500.db2.gz JPASAFIVAXHUDX-TUVASFSCSA-N 2 2 268.401 1.324 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000490780362 332115283 /nfs/dbraw/zinc/11/52/83/332115283.db2.gz KONDJMXVIYJNPH-CVEARBPZSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000490780362 332115284 /nfs/dbraw/zinc/11/52/84/332115284.db2.gz KONDJMXVIYJNPH-CVEARBPZSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H]1CCc2ccccc21 ZINC000491667469 332275497 /nfs/dbraw/zinc/27/54/97/332275497.db2.gz XVNWKLSISLXTOK-AEFFLSMTSA-N 2 2 286.419 1.922 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H]1CCc2ccccc21 ZINC000491667469 332275499 /nfs/dbraw/zinc/27/54/99/332275499.db2.gz XVNWKLSISLXTOK-AEFFLSMTSA-N 2 2 286.419 1.922 20 30 CDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@H]1CCc2ccccc21 ZINC000491667469 332275500 /nfs/dbraw/zinc/27/55/00/332275500.db2.gz XVNWKLSISLXTOK-AEFFLSMTSA-N 2 2 286.419 1.922 20 30 CDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CC)[C@H]1CCc2ccccc21 ZINC000491667469 332275501 /nfs/dbraw/zinc/27/55/01/332275501.db2.gz XVNWKLSISLXTOK-AEFFLSMTSA-N 2 2 286.419 1.922 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727157 333453795 /nfs/dbraw/zinc/45/37/95/333453795.db2.gz FSGCGKWZKFGWGH-HNNXBMFYSA-N 2 2 282.428 1.500 20 30 CDEDLP CC[NH+](CC)C1CC[NH+](CCOCCC#N)CC1 ZINC000385828053 1160559117 /nfs/dbraw/zinc/55/91/17/1160559117.db2.gz LBSSHLHWLYEUEG-UHFFFAOYSA-N 2 2 253.390 1.723 20 30 CDEDLP C=CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665943328 482854055 /nfs/dbraw/zinc/85/40/55/482854055.db2.gz RILMUUDSPBTTTP-HNNXBMFYSA-N 2 2 294.443 1.372 20 30 CDEDLP C=CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665943328 482854060 /nfs/dbraw/zinc/85/40/60/482854060.db2.gz RILMUUDSPBTTTP-HNNXBMFYSA-N 2 2 294.443 1.372 20 30 CDEDLP C=C(CC)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678629564 483137757 /nfs/dbraw/zinc/13/77/57/483137757.db2.gz ZHMURNXHADJRGQ-CQSZACIVSA-N 2 2 265.401 1.367 20 30 CDEDLP C=C(CC)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678629564 483137760 /nfs/dbraw/zinc/13/77/60/483137760.db2.gz ZHMURNXHADJRGQ-CQSZACIVSA-N 2 2 265.401 1.367 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000746190765 576760823 /nfs/dbraw/zinc/76/08/23/576760823.db2.gz KIZPDHBYRQGEPJ-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000746190764 576760907 /nfs/dbraw/zinc/76/09/07/576760907.db2.gz KIZPDHBYRQGEPJ-GASCZTMLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000746190764 576760908 /nfs/dbraw/zinc/76/09/08/576760908.db2.gz KIZPDHBYRQGEPJ-GASCZTMLSA-N 2 2 277.412 1.027 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@H]2CCOC2)cc1 ZINC000747838731 576886582 /nfs/dbraw/zinc/88/65/82/576886582.db2.gz IPBGPKISEJSLJT-ZDUSSCGKSA-N 2 2 277.368 1.422 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652964 613283634 /nfs/dbraw/zinc/28/36/34/613283634.db2.gz SJVIJEZLXFCIBL-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652964 613283636 /nfs/dbraw/zinc/28/36/36/613283636.db2.gz SJVIJEZLXFCIBL-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652964 613283638 /nfs/dbraw/zinc/28/36/38/613283638.db2.gz SJVIJEZLXFCIBL-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652964 613283640 /nfs/dbraw/zinc/28/36/40/613283640.db2.gz SJVIJEZLXFCIBL-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971795486 613370397 /nfs/dbraw/zinc/37/03/97/613370397.db2.gz SEJTZOMPDWVAPB-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971795486 613370398 /nfs/dbraw/zinc/37/03/98/613370398.db2.gz SEJTZOMPDWVAPB-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971795486 613370399 /nfs/dbraw/zinc/37/03/99/613370399.db2.gz SEJTZOMPDWVAPB-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971795486 613370400 /nfs/dbraw/zinc/37/04/00/613370400.db2.gz SEJTZOMPDWVAPB-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981353502 613384215 /nfs/dbraw/zinc/38/42/15/613384215.db2.gz KFUGWCGBYBLGOF-NEPJUHHUSA-N 2 2 296.802 1.722 20 30 CDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000969993563 613662617 /nfs/dbraw/zinc/66/26/17/613662617.db2.gz UCAXWEYHRKKQID-CHWSQXEVSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000957325132 613711364 /nfs/dbraw/zinc/71/13/64/613711364.db2.gz HTYGGLBEWFEHQH-CABCVRRESA-N 2 2 279.428 1.437 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947976059 613781415 /nfs/dbraw/zinc/78/14/15/613781415.db2.gz SLOLLYDCBFFVPO-YPMHNXCESA-N 2 2 276.384 1.416 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947976059 613781417 /nfs/dbraw/zinc/78/14/17/613781417.db2.gz SLOLLYDCBFFVPO-YPMHNXCESA-N 2 2 276.384 1.416 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978476612 613836031 /nfs/dbraw/zinc/83/60/31/613836031.db2.gz BBGMDRBJHSXARX-ZSOGYDGISA-N 2 2 296.374 1.428 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978476612 613836033 /nfs/dbraw/zinc/83/60/33/613836033.db2.gz BBGMDRBJHSXARX-ZSOGYDGISA-N 2 2 296.374 1.428 20 30 CDEDLP COCC[N@H+](C)CCC[NH2+]CC#Cc1ccccc1 ZINC000892559583 617504110 /nfs/dbraw/zinc/50/41/10/617504110.db2.gz OOPIAMOSXIPFIE-UHFFFAOYSA-N 2 2 260.381 1.596 20 30 CDEDLP COCC[N@@H+](C)CCC[NH2+]CC#Cc1ccccc1 ZINC000892559583 617504113 /nfs/dbraw/zinc/50/41/13/617504113.db2.gz OOPIAMOSXIPFIE-UHFFFAOYSA-N 2 2 260.381 1.596 20 30 CDEDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925894487 617989591 /nfs/dbraw/zinc/98/95/91/617989591.db2.gz ZCYDXNGYYIQQJK-WCQYABFASA-N 2 2 259.357 1.095 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000923554790 618341845 /nfs/dbraw/zinc/34/18/45/618341845.db2.gz PIFJSRGJKPCYHG-AWEZNQCLSA-N 2 2 288.395 1.220 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000923554790 618341853 /nfs/dbraw/zinc/34/18/53/618341853.db2.gz PIFJSRGJKPCYHG-AWEZNQCLSA-N 2 2 288.395 1.220 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)OCC)[nH]1 ZINC000894863869 619107299 /nfs/dbraw/zinc/10/72/99/619107299.db2.gz YXORKYYDYQPMAQ-UHFFFAOYSA-N 2 2 277.368 1.236 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)OCC)[nH]1 ZINC000894863869 619107301 /nfs/dbraw/zinc/10/73/01/619107301.db2.gz YXORKYYDYQPMAQ-UHFFFAOYSA-N 2 2 277.368 1.236 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(/C=C\C(=O)OC)o1 ZINC000894863776 619107396 /nfs/dbraw/zinc/10/73/96/619107396.db2.gz RRBHATWXANWVSZ-HJWRWDBZSA-N 2 2 290.363 1.511 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(/C=C\C(=O)OC)o1 ZINC000894863776 619107398 /nfs/dbraw/zinc/10/73/98/619107398.db2.gz RRBHATWXANWVSZ-HJWRWDBZSA-N 2 2 290.363 1.511 20 30 CDEDLP C=CC[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130001286 1162516048 /nfs/dbraw/zinc/51/60/48/1162516048.db2.gz JWUBGOFPHBKMCL-CYBMUJFWSA-N 2 2 264.373 1.362 20 30 CDEDLP C=CC[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130001287 1162516738 /nfs/dbraw/zinc/51/67/38/1162516738.db2.gz JWUBGOFPHBKMCL-ZDUSSCGKSA-N 2 2 264.373 1.362 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC)[C@@H]1C ZINC001088631820 1160668313 /nfs/dbraw/zinc/66/83/13/1160668313.db2.gz HYDIWLGVFJCRFP-PMPSAXMXSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC)[C@@H]1C ZINC001088631820 1160668314 /nfs/dbraw/zinc/66/83/14/1160668314.db2.gz HYDIWLGVFJCRFP-PMPSAXMXSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC)[C@@H]1C ZINC001088631820 1160668316 /nfs/dbraw/zinc/66/83/16/1160668316.db2.gz HYDIWLGVFJCRFP-PMPSAXMXSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC)[C@@H]1C ZINC001088631820 1160668319 /nfs/dbraw/zinc/66/83/19/1160668319.db2.gz HYDIWLGVFJCRFP-PMPSAXMXSA-N 2 2 291.439 1.463 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135064 1163579249 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20 30 CDEDLP C#CCC[N@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753058039 1185027613 /nfs/dbraw/zinc/02/76/13/1185027613.db2.gz STZZEGFSHKXJKP-UHFFFAOYSA-N 2 2 273.380 1.692 20 30 CDEDLP C#CCC[N@@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753058039 1185027618 /nfs/dbraw/zinc/02/76/18/1185027618.db2.gz STZZEGFSHKXJKP-UHFFFAOYSA-N 2 2 273.380 1.692 20 30 CDEDLP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753358456 1185167906 /nfs/dbraw/zinc/16/79/06/1185167906.db2.gz OZVRXTPKSRRDQI-AWEZNQCLSA-N 2 2 288.395 1.064 20 30 CDEDLP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753358456 1185167913 /nfs/dbraw/zinc/16/79/13/1185167913.db2.gz OZVRXTPKSRRDQI-AWEZNQCLSA-N 2 2 288.395 1.064 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001753811598 1185341587 /nfs/dbraw/zinc/34/15/87/1185341587.db2.gz KVOYMNRCXWVDJV-DZGCQCFKSA-N 2 2 288.395 1.192 20 30 CDEDLP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001754620495 1185687414 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CDEDLP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000989181745 728794809 /nfs/dbraw/zinc/79/48/09/728794809.db2.gz KOUQIYFRVAYEHC-QWHCGFSZSA-N 2 2 284.363 1.713 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=[NH2+])N2CCC(C)CC2)C1 ZINC000887323794 728876712 /nfs/dbraw/zinc/87/67/12/728876712.db2.gz HVLXXIYYHRUKHG-AWEZNQCLSA-N 2 2 262.401 1.340 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=[NH2+])N2CCC(C)CC2)C1 ZINC000887323794 728876713 /nfs/dbraw/zinc/87/67/13/728876713.db2.gz HVLXXIYYHRUKHG-AWEZNQCLSA-N 2 2 262.401 1.340 20 30 CDEDLP C=CC[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001031879471 728876904 /nfs/dbraw/zinc/87/69/04/728876904.db2.gz OBTAZQNUGVYQSQ-UHFFFAOYSA-N 2 2 296.374 1.720 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000986629570 728895908 /nfs/dbraw/zinc/89/59/08/728895908.db2.gz RWEIJYVCVHDBHQ-STQMWFEESA-N 2 2 262.357 1.038 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001014777588 728898677 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C=CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041712630 729029067 /nfs/dbraw/zinc/02/90/67/729029067.db2.gz SEXWAVJRTDXMBE-HNNXBMFYSA-N 2 2 274.368 1.063 20 30 CDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041712630 729029069 /nfs/dbraw/zinc/02/90/69/729029069.db2.gz SEXWAVJRTDXMBE-HNNXBMFYSA-N 2 2 274.368 1.063 20 30 CDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001017619639 729088309 /nfs/dbraw/zinc/08/83/09/729088309.db2.gz QYUSJNHPOLHVJD-IYBDPMFKSA-N 2 2 289.423 1.169 20 30 CDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001017619639 729088313 /nfs/dbraw/zinc/08/83/13/729088313.db2.gz QYUSJNHPOLHVJD-IYBDPMFKSA-N 2 2 289.423 1.169 20 30 CDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001017619639 729088318 /nfs/dbraw/zinc/08/83/18/729088318.db2.gz QYUSJNHPOLHVJD-IYBDPMFKSA-N 2 2 289.423 1.169 20 30 CDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001017619639 729088323 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C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000817952222 729294111 /nfs/dbraw/zinc/29/41/11/729294111.db2.gz OOQYJNCZALCUMP-OCCSQVGLSA-N 2 2 259.353 1.992 20 30 CDEDLP C#CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000775401336 729351922 /nfs/dbraw/zinc/35/19/22/729351922.db2.gz SJCSVTXSEZHPQC-MRXNPFEDSA-N 2 2 285.391 1.115 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)[C@@H]2CCCOC2)CC1 ZINC000883187845 729630562 /nfs/dbraw/zinc/63/05/62/729630562.db2.gz XVUYPUQTGCIRQV-GDBMZVCRSA-N 2 2 282.428 1.668 20 30 CDEDLP C=CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000998988103 729646305 /nfs/dbraw/zinc/64/63/05/729646305.db2.gz SFBGFZGGAYYPIG-UHFFFAOYSA-N 2 2 289.379 1.398 20 30 CDEDLP C[NH+]=C(NCC[NH+]1CCC1)NC[C@]1(C)CCCS1 ZINC000261958576 729744847 /nfs/dbraw/zinc/74/48/47/729744847.db2.gz JMSZFIIOIHBKMA-ZDUSSCGKSA-N 2 2 270.446 1.143 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462822 729846777 /nfs/dbraw/zinc/84/67/77/729846777.db2.gz OOSPDRLZAIAJBH-ZDUSSCGKSA-N 2 2 270.336 1.324 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462822 729846778 /nfs/dbraw/zinc/84/67/78/729846778.db2.gz OOSPDRLZAIAJBH-ZDUSSCGKSA-N 2 2 270.336 1.324 20 30 CDEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001038410672 729892437 /nfs/dbraw/zinc/89/24/37/729892437.db2.gz QUDXSMMLBFYZLR-ZIAGYGMSSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001038410672 729892439 /nfs/dbraw/zinc/89/24/39/729892439.db2.gz QUDXSMMLBFYZLR-ZIAGYGMSSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001038410672 729892444 /nfs/dbraw/zinc/89/24/44/729892444.db2.gz QUDXSMMLBFYZLR-ZIAGYGMSSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001043870821 729932522 /nfs/dbraw/zinc/93/25/22/729932522.db2.gz XNNOLNFKLZXFDO-ZDUSSCGKSA-N 2 2 265.401 1.189 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043870821 729932523 /nfs/dbraw/zinc/93/25/23/729932523.db2.gz XNNOLNFKLZXFDO-ZDUSSCGKSA-N 2 2 265.401 1.189 20 30 CDEDLP C#CC[NH+]1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000830162461 729964119 /nfs/dbraw/zinc/96/41/19/729964119.db2.gz KFWZTQUEIFPOQQ-UHFFFAOYSA-N 2 2 282.347 1.390 20 30 CDEDLP C#Cc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000827885308 729977456 /nfs/dbraw/zinc/97/74/56/729977456.db2.gz WKQSOIBIDMDYDO-UHFFFAOYSA-N 2 2 280.375 1.724 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027610198 729977940 /nfs/dbraw/zinc/97/79/40/729977940.db2.gz JSFUQNXEBSVFAJ-DZGCQCFKSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027610198 729977941 /nfs/dbraw/zinc/97/79/41/729977941.db2.gz JSFUQNXEBSVFAJ-DZGCQCFKSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001027610198 729977942 /nfs/dbraw/zinc/97/79/42/729977942.db2.gz JSFUQNXEBSVFAJ-DZGCQCFKSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001027610198 729977943 /nfs/dbraw/zinc/97/79/43/729977943.db2.gz JSFUQNXEBSVFAJ-DZGCQCFKSA-N 2 2 290.411 1.697 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000157275 729994719 /nfs/dbraw/zinc/99/47/19/729994719.db2.gz GXCBMAFIRQDNNL-CHWSQXEVSA-N 2 2 286.379 1.043 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038443365 730000118 /nfs/dbraw/zinc/00/01/18/730000118.db2.gz UPWTZKLBCSPCJF-ZDUSSCGKSA-N 2 2 282.347 1.080 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038443365 730000120 /nfs/dbraw/zinc/00/01/20/730000120.db2.gz UPWTZKLBCSPCJF-ZDUSSCGKSA-N 2 2 282.347 1.080 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002648 730019558 /nfs/dbraw/zinc/01/95/58/730019558.db2.gz VIFXPRWBKDKJIC-GFCCVEGCSA-N 2 2 283.803 1.025 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002648 730019559 /nfs/dbraw/zinc/01/95/59/730019559.db2.gz VIFXPRWBKDKJIC-GFCCVEGCSA-N 2 2 283.803 1.025 20 30 CDEDLP C=CC[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032080286 730064196 /nfs/dbraw/zinc/06/41/96/730064196.db2.gz OPHYBTHNZOVHHG-UHFFFAOYSA-N 2 2 297.362 1.115 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000303884796 730065322 /nfs/dbraw/zinc/06/53/22/730065322.db2.gz MWCADTUMPCUADI-UKRRQHHQSA-N 2 2 292.427 1.537 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001752957494 1167292148 /nfs/dbraw/zinc/29/21/48/1167292148.db2.gz ABTCMDOTFSTUIJ-CQSZACIVSA-N 2 2 290.411 1.367 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206201238 912594604 /nfs/dbraw/zinc/59/46/04/912594604.db2.gz WLXYJQUQAAYIKK-OLZOCXBDSA-N 2 2 263.316 1.525 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206201238 912594615 /nfs/dbraw/zinc/59/46/15/912594615.db2.gz WLXYJQUQAAYIKK-OLZOCXBDSA-N 2 2 263.316 1.525 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176400054 914106602 /nfs/dbraw/zinc/10/66/02/914106602.db2.gz CVKSJRBPSWGNOF-AWEZNQCLSA-N 2 2 290.411 1.251 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176811123 914272918 /nfs/dbraw/zinc/27/29/18/914272918.db2.gz XOAZDVLWUZAVMC-HNNXBMFYSA-N 2 2 290.411 1.561 20 30 CDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829555 914279512 /nfs/dbraw/zinc/27/95/12/914279512.db2.gz NRXFSRFVNFBTIC-AWEZNQCLSA-N 2 2 276.384 1.171 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000328103942 899089815 /nfs/dbraw/zinc/08/98/15/899089815.db2.gz MCFJMLSILJGKAH-UHFFFAOYSA-N 2 2 290.363 1.469 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000328103942 899089826 /nfs/dbraw/zinc/08/98/26/899089826.db2.gz MCFJMLSILJGKAH-UHFFFAOYSA-N 2 2 290.363 1.469 20 30 CDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178572615 915527056 /nfs/dbraw/zinc/52/70/56/915527056.db2.gz NFOICNHWBZFCLD-STQMWFEESA-N 2 2 276.384 1.497 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970899 936406526 /nfs/dbraw/zinc/40/65/26/936406526.db2.gz CQXXMPBKGRFZAJ-ZDUSSCGKSA-N 2 2 262.357 1.040 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970899 936406528 /nfs/dbraw/zinc/40/65/28/936406528.db2.gz CQXXMPBKGRFZAJ-ZDUSSCGKSA-N 2 2 262.357 1.040 20 30 CDEDLP C[NH+](C)CCOc1ccc(C[N@H+](C)CCC#N)cc1 ZINC001138768903 936565025 /nfs/dbraw/zinc/56/50/25/936565025.db2.gz GJOBFQVCAQUNOY-UHFFFAOYSA-N 2 2 261.369 1.972 20 30 CDEDLP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC001138768903 936565027 /nfs/dbraw/zinc/56/50/27/936565027.db2.gz GJOBFQVCAQUNOY-UHFFFAOYSA-N 2 2 261.369 1.972 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185574857 919662198 /nfs/dbraw/zinc/66/21/98/919662198.db2.gz RXCYENKSAJYWKV-TZMCWYRMSA-N 2 2 290.411 1.521 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586200 919673757 /nfs/dbraw/zinc/67/37/57/919673757.db2.gz HHNFCPKKAZRSDX-CHWSQXEVSA-N 2 2 286.379 1.043 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185790133 919755234 /nfs/dbraw/zinc/75/52/34/919755234.db2.gz XWPXWRYLFRRDDB-GJZGRUSLSA-N 2 2 290.411 1.533 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187091678 920362550 /nfs/dbraw/zinc/36/25/50/920362550.db2.gz KXEOFDWNAVXNFK-CYBMUJFWSA-N 2 2 290.411 1.844 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001036192605 923122915 /nfs/dbraw/zinc/12/29/15/923122915.db2.gz IFROZMBAIGHIOS-GXFFZTMASA-N 2 2 296.802 1.531 20 30 CDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192576967 923155529 /nfs/dbraw/zinc/15/55/29/923155529.db2.gz BWFDFJNVPZFBCJ-LSDHHAIUSA-N 2 2 288.395 1.390 20 30 CDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192576967 923155538 /nfs/dbraw/zinc/15/55/38/923155538.db2.gz BWFDFJNVPZFBCJ-LSDHHAIUSA-N 2 2 288.395 1.390 20 30 CDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001079697155 924407608 /nfs/dbraw/zinc/40/76/08/924407608.db2.gz WJDIIOZRZPGRLZ-IUODEOHRSA-N 2 2 296.374 1.326 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001079697155 924407612 /nfs/dbraw/zinc/40/76/12/924407612.db2.gz WJDIIOZRZPGRLZ-IUODEOHRSA-N 2 2 296.374 1.326 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991555 924463130 /nfs/dbraw/zinc/46/31/30/924463130.db2.gz LTBSTLTYKORRPF-MGPQQGTHSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991555 924463134 /nfs/dbraw/zinc/46/31/34/924463134.db2.gz LTBSTLTYKORRPF-MGPQQGTHSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001082732422 924988938 /nfs/dbraw/zinc/98/89/38/924988938.db2.gz CTBRANMLAWVDFE-MBNYWOFBSA-N 2 2 288.395 1.452 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830077 925449040 /nfs/dbraw/zinc/44/90/40/925449040.db2.gz JYYOOMVUFVTQTR-MGPQQGTHSA-N 2 2 297.830 1.223 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830077 925449042 /nfs/dbraw/zinc/44/90/42/925449042.db2.gz JYYOOMVUFVTQTR-MGPQQGTHSA-N 2 2 297.830 1.223 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830077 925449045 /nfs/dbraw/zinc/44/90/45/925449045.db2.gz JYYOOMVUFVTQTR-MGPQQGTHSA-N 2 2 297.830 1.223 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830077 925449047 /nfs/dbraw/zinc/44/90/47/925449047.db2.gz JYYOOMVUFVTQTR-MGPQQGTHSA-N 2 2 297.830 1.223 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001085406321 925936247 /nfs/dbraw/zinc/93/62/47/925936247.db2.gz ZOKIHNAIMUZVCY-ZIAGYGMSSA-N 2 2 290.411 1.854 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001086435089 927128549 /nfs/dbraw/zinc/12/85/49/927128549.db2.gz XVZMECRFOHRXBT-SHTZXODSSA-N 2 2 285.391 1.738 20 30 CDEDLP C=C[C@@](C)(O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001252579476 929558119 /nfs/dbraw/zinc/55/81/19/929558119.db2.gz VVABNPZIPNOMAA-OAHLLOKOSA-N 2 2 261.369 1.577 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152201736 937343636 /nfs/dbraw/zinc/34/36/36/937343636.db2.gz GABMZVUGUPNXAO-UHFFFAOYSA-N 2 2 293.436 1.388 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152201736 937343640 /nfs/dbraw/zinc/34/36/40/937343640.db2.gz GABMZVUGUPNXAO-UHFFFAOYSA-N 2 2 293.436 1.388 20 30 CDEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134376478 929711915 /nfs/dbraw/zinc/71/19/15/929711915.db2.gz NQXSBUWPWWHTNZ-OLZOCXBDSA-N 2 2 298.390 1.762 20 30 CDEDLP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055697 930020454 /nfs/dbraw/zinc/02/04/54/930020454.db2.gz GTMWSFORYVRBFZ-ZIAGYGMSSA-N 2 2 290.411 1.249 20 30 CDEDLP CC[C@@H]1CC(N2CC[NH2+]C[C@H]2C#N)C[C@@H](CC)[NH2+]1 ZINC001246596990 932048574 /nfs/dbraw/zinc/04/85/74/932048574.db2.gz ZYYIUFVIAILDJY-YRGRVCCFSA-N 2 2 250.390 1.093 20 30 CDEDLP C#CCCC[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001275975707 932189800 /nfs/dbraw/zinc/18/98/00/932189800.db2.gz LIVLSVIODSTOCL-QGZVFWFLSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CCCC[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001275975707 932189801 /nfs/dbraw/zinc/18/98/01/932189801.db2.gz LIVLSVIODSTOCL-QGZVFWFLSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CCCC[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275975707 932189806 /nfs/dbraw/zinc/18/98/06/932189806.db2.gz LIVLSVIODSTOCL-QGZVFWFLSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CCCC[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275975707 932189810 /nfs/dbraw/zinc/18/98/10/932189810.db2.gz LIVLSVIODSTOCL-QGZVFWFLSA-N 2 2 291.439 1.276 20 30 CDEDLP N#Cc1c(F)ccnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057922 937629229 /nfs/dbraw/zinc/62/92/29/937629229.db2.gz OXWHKEUAZLLMAE-UHFFFAOYSA-N 2 2 271.299 1.745 20 30 CDEDLP N#Cc1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c(F)c1 ZINC001155065204 937629927 /nfs/dbraw/zinc/62/99/27/937629927.db2.gz ZZCHNTDOLHPETN-UHFFFAOYSA-N 2 2 271.299 1.745 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC ZINC001037841375 935297279 /nfs/dbraw/zinc/29/72/79/935297279.db2.gz PLTPKQABGYISGT-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP CCCCN(CC#N)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160735451 938822713 /nfs/dbraw/zinc/82/27/13/938822713.db2.gz UVTJNULLXQFMOK-AWEZNQCLSA-N 2 2 274.368 1.411 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323730 938888843 /nfs/dbraw/zinc/88/88/43/938888843.db2.gz PIEXMOIROJIGBL-CYBMUJFWSA-N 2 2 290.411 1.495 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323730 938888847 /nfs/dbraw/zinc/88/88/47/938888847.db2.gz PIEXMOIROJIGBL-CYBMUJFWSA-N 2 2 290.411 1.495 20 30 CDEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161328386 938889572 /nfs/dbraw/zinc/88/95/72/938889572.db2.gz VRCAYAYWQOJVFJ-UHFFFAOYSA-N 2 2 288.395 1.667 20 30 CDEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161328386 938889577 /nfs/dbraw/zinc/88/95/77/938889577.db2.gz VRCAYAYWQOJVFJ-UHFFFAOYSA-N 2 2 288.395 1.667 20 30 CDEDLP N#CC1(c2cc[nH+]c(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2)CC1 ZINC001163316615 939245389 /nfs/dbraw/zinc/24/53/89/939245389.db2.gz QLYFRGDPYONXLX-PBHICJAKSA-N 2 2 298.390 1.960 20 30 CDEDLP CSc1nc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1C#N ZINC001205140208 939827464 /nfs/dbraw/zinc/82/74/64/939827464.db2.gz DEAFVHOMGJMSGO-CMPLNLGQSA-N 2 2 276.409 1.702 20 30 CDEDLP CSc1nc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1C#N ZINC001205140208 939827466 /nfs/dbraw/zinc/82/74/66/939827466.db2.gz DEAFVHOMGJMSGO-CMPLNLGQSA-N 2 2 276.409 1.702 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(F)c1 ZINC001205681043 939916849 /nfs/dbraw/zinc/91/68/49/939916849.db2.gz DSIGCRGGJVJHEH-OAHLLOKOSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(F)c1 ZINC001205681043 939916850 /nfs/dbraw/zinc/91/68/50/939916850.db2.gz DSIGCRGGJVJHEH-OAHLLOKOSA-N 2 2 277.343 1.373 20 30 CDEDLP C#CCC[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898428 940109124 /nfs/dbraw/zinc/10/91/24/940109124.db2.gz QUBAUAPVFFDYBZ-UHFFFAOYSA-N 2 2 288.395 1.112 20 30 CDEDLP C[NH+]1CCC(CC[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001207481375 940206302 /nfs/dbraw/zinc/20/63/02/940206302.db2.gz DMRMVHFVIXFGHH-CQSZACIVSA-N 2 2 280.437 1.992 20 30 CDEDLP C[NH+]1CCC(CC[N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001207481375 940206303 /nfs/dbraw/zinc/20/63/03/940206303.db2.gz DMRMVHFVIXFGHH-CQSZACIVSA-N 2 2 280.437 1.992 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210304726 940681329 /nfs/dbraw/zinc/68/13/29/940681329.db2.gz PDYIDHNKWLOHLR-ZDUSSCGKSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001316604696 942464945 /nfs/dbraw/zinc/46/49/45/942464945.db2.gz UJQJNAZCKNDWRN-DZGCQCFKSA-N 2 2 290.411 1.840 20 30 CDEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001316604696 942464947 /nfs/dbraw/zinc/46/49/47/942464947.db2.gz UJQJNAZCKNDWRN-DZGCQCFKSA-N 2 2 290.411 1.840 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001316605583 942477580 /nfs/dbraw/zinc/47/75/80/942477580.db2.gz KIAMTXSRNJAKKW-CYBMUJFWSA-N 2 2 276.384 1.369 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001316605583 942477581 /nfs/dbraw/zinc/47/75/81/942477581.db2.gz KIAMTXSRNJAKKW-CYBMUJFWSA-N 2 2 276.384 1.369 20 30 CDEDLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C#N)cc3O)C[C@@H]2C1 ZINC001233388217 943572778 /nfs/dbraw/zinc/57/27/78/943572778.db2.gz QKZLVTKGZIFDLI-GJZGRUSLSA-N 2 2 271.364 1.647 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235631391 944224715 /nfs/dbraw/zinc/22/47/15/944224715.db2.gz CBHJRTWOHDHZPN-HZSPNIEDSA-N 2 2 254.374 1.160 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235631391 944224717 /nfs/dbraw/zinc/22/47/17/944224717.db2.gz CBHJRTWOHDHZPN-HZSPNIEDSA-N 2 2 254.374 1.160 20 30 CDEDLP C[NH+]1CCN(c2cccc(C[N@@H+]3CC[C@@H](C#N)C3)c2)CC1 ZINC001236890920 944608906 /nfs/dbraw/zinc/60/89/06/944608906.db2.gz SUPXAGPUCHQJMJ-INIZCTEOSA-N 2 2 284.407 1.784 20 30 CDEDLP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@@H](C#N)C3)c2)CC1 ZINC001236890920 944608910 /nfs/dbraw/zinc/60/89/10/944608910.db2.gz SUPXAGPUCHQJMJ-INIZCTEOSA-N 2 2 284.407 1.784 20 30 CDEDLP C=CCC[C@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001245984393 947881304 /nfs/dbraw/zinc/88/13/04/947881304.db2.gz MAHHSBYQUQQIPD-STQMWFEESA-N 2 2 286.416 1.352 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@@H+]1CCN2CC[NH2+]C[C@@H]2C1 ZINC001246029550 947910820 /nfs/dbraw/zinc/91/08/20/947910820.db2.gz PXENARXRRMBAMO-SJORKVTESA-N 2 2 297.487 1.687 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@H+]1CCN2CC[NH2+]C[C@@H]2C1 ZINC001246029550 947910830 /nfs/dbraw/zinc/91/08/30/947910830.db2.gz PXENARXRRMBAMO-SJORKVTESA-N 2 2 297.487 1.687 20 30 CDEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246112769 947963176 /nfs/dbraw/zinc/96/31/76/947963176.db2.gz RVHVUVXKLWDLAU-CQDKDKBSSA-N 2 2 261.344 1.779 20 30 CDEDLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)nc2)CC1 ZINC001257211179 948545434 /nfs/dbraw/zinc/54/54/34/948545434.db2.gz BDSZZWBPJAWNSE-UHFFFAOYSA-N 2 2 258.369 1.916 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001366988887 957321660 /nfs/dbraw/zinc/32/16/60/957321660.db2.gz LIOBGMXDKCVWAR-UHFFFAOYSA-N 2 2 299.846 1.663 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001367039315 957348988 /nfs/dbraw/zinc/34/89/88/957348988.db2.gz OIZDUHZPGCCMTQ-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001367039315 957348997 /nfs/dbraw/zinc/34/89/97/957348997.db2.gz OIZDUHZPGCCMTQ-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001367039315 957349007 /nfs/dbraw/zinc/34/90/07/957349007.db2.gz OIZDUHZPGCCMTQ-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001367039315 957349019 /nfs/dbraw/zinc/34/90/19/957349019.db2.gz OIZDUHZPGCCMTQ-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C#N)cc1F ZINC000591582471 342638215 /nfs/dbraw/zinc/63/82/15/342638215.db2.gz LYVIFLZRPIZNOP-WCQYABFASA-N 2 2 277.343 1.726 20 30 CDEDLP N#Cc1ccc(CC[N@@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000595492895 343076642 /nfs/dbraw/zinc/07/66/42/343076642.db2.gz YSPVBHNYGDNQHT-UHFFFAOYSA-N 2 2 252.321 1.813 20 30 CDEDLP N#Cc1ccc(CC[N@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000595492895 343076644 /nfs/dbraw/zinc/07/66/44/343076644.db2.gz YSPVBHNYGDNQHT-UHFFFAOYSA-N 2 2 252.321 1.813 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984748 342362994 /nfs/dbraw/zinc/36/29/94/342362994.db2.gz KKTOWTXXVRVSRK-STQMWFEESA-N 2 2 289.383 1.350 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984748 342362995 /nfs/dbraw/zinc/36/29/95/342362995.db2.gz KKTOWTXXVRVSRK-STQMWFEESA-N 2 2 289.383 1.350 20 30 CDEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc(C#N)cc1 ZINC000596653292 343371628 /nfs/dbraw/zinc/37/16/28/343371628.db2.gz ZTZPVTGUKBZVMR-BBRMVZONSA-N 2 2 273.380 1.457 20 30 CDEDLP C#CCC[NH+]1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000091480430 342404401 /nfs/dbraw/zinc/40/44/01/342404401.db2.gz YRINNMJOQWADNP-UHFFFAOYSA-N 2 2 299.422 1.612 20 30 CDEDLP C#CCC[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000127236508 187291577 /nfs/dbraw/zinc/29/15/77/187291577.db2.gz MJMFAGYZRCJSFQ-UHFFFAOYSA-N 2 2 295.390 1.408 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449397375 362693533 /nfs/dbraw/zinc/69/35/33/362693533.db2.gz PXQHIOOPVXVCTQ-MCIONIFRSA-N 2 2 251.374 1.115 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449397375 362693539 /nfs/dbraw/zinc/69/35/39/362693539.db2.gz PXQHIOOPVXVCTQ-MCIONIFRSA-N 2 2 251.374 1.115 20 30 CDEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(C#N)n3)C2)C1 ZINC000602676593 350141139 /nfs/dbraw/zinc/14/11/39/350141139.db2.gz TXMGPPMSORXBDT-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(C#N)n3)C2)C1 ZINC000602676593 350141143 /nfs/dbraw/zinc/14/11/43/350141143.db2.gz TXMGPPMSORXBDT-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(C#N)n3)C2)C1 ZINC000602676593 350141146 /nfs/dbraw/zinc/14/11/46/350141146.db2.gz TXMGPPMSORXBDT-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(C#N)n3)C2)C1 ZINC000602676593 350141149 /nfs/dbraw/zinc/14/11/49/350141149.db2.gz TXMGPPMSORXBDT-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602714988 350144645 /nfs/dbraw/zinc/14/46/45/350144645.db2.gz LCSMSEMPBNERSA-UHFFFAOYSA-N 2 2 282.351 1.009 20 30 CDEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)NC1CC1 ZINC000264040434 362952603 /nfs/dbraw/zinc/95/26/03/362952603.db2.gz IPNNNBOVMAWTOG-UHFFFAOYSA-N 2 2 257.341 1.204 20 30 CDEDLP CCCNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264066387 362957144 /nfs/dbraw/zinc/95/71/44/362957144.db2.gz BKJKFQNNPZNAHB-LLVKDONJSA-N 2 2 254.403 1.665 20 30 CDEDLP CNC(NC[C@H](C)[N@@H+]1CCc2sccc2C1)=[NH+]C ZINC000264131815 362973824 /nfs/dbraw/zinc/97/38/24/362973824.db2.gz YCTJVAHUUQNRLG-JTQLQIEISA-N 2 2 266.414 1.290 20 30 CDEDLP CNC(NC[C@H](C)[N@H+]1CCc2sccc2C1)=[NH+]C ZINC000264131815 362973828 /nfs/dbraw/zinc/97/38/28/362973828.db2.gz YCTJVAHUUQNRLG-JTQLQIEISA-N 2 2 266.414 1.290 20 30 CDEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H](C)O1 ZINC000517232102 356549990 /nfs/dbraw/zinc/54/99/90/356549990.db2.gz WKXDZMNWOGMXCZ-QRJUGERDSA-N 2 2 295.427 1.128 20 30 CDEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H](C)O1 ZINC000517232102 356549994 /nfs/dbraw/zinc/54/99/94/356549994.db2.gz WKXDZMNWOGMXCZ-QRJUGERDSA-N 2 2 295.427 1.128 20 30 CDEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000120257911 357482155 /nfs/dbraw/zinc/48/21/55/357482155.db2.gz LFEVLUPOQZNPFZ-AWEZNQCLSA-N 2 2 273.380 1.616 20 30 CDEDLP Cn1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000334443049 357580086 /nfs/dbraw/zinc/58/00/86/357580086.db2.gz DNPLDOZVYVLMDJ-LLVKDONJSA-N 2 2 255.325 1.267 20 30 CDEDLP Cn1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000334443049 357580091 /nfs/dbraw/zinc/58/00/91/357580091.db2.gz DNPLDOZVYVLMDJ-LLVKDONJSA-N 2 2 255.325 1.267 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)CC(N)=O)C(C)C ZINC000268802823 359365269 /nfs/dbraw/zinc/36/52/69/359365269.db2.gz IBBHLIKMKKIQPQ-UONOGXRCSA-N 2 2 267.417 1.539 20 30 CDEDLP N#CCSCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336802829 359847140 /nfs/dbraw/zinc/84/71/40/359847140.db2.gz WCKJWHACXMASJS-UHFFFAOYSA-N 2 2 279.413 1.174 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000361229225 368701554 /nfs/dbraw/zinc/70/15/54/368701554.db2.gz MAIAYIZZIWLVDD-DZGCQCFKSA-N 3 2 251.418 1.567 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000361229225 368701558 /nfs/dbraw/zinc/70/15/58/368701558.db2.gz MAIAYIZZIWLVDD-DZGCQCFKSA-N 3 2 251.418 1.567 20 30 CDEDLP C=CCCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000568741364 371229621 /nfs/dbraw/zinc/22/96/21/371229621.db2.gz RTDJAKFXWZYWMU-JJXSEGSLSA-N 2 2 284.444 1.791 20 30 CDEDLP C=C(C)CN(CC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179281547 372264570 /nfs/dbraw/zinc/26/45/70/372264570.db2.gz FZZFUQJFHFBIMA-UHFFFAOYSA-N 2 2 296.459 1.620 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134877756 375662302 /nfs/dbraw/zinc/66/23/02/375662302.db2.gz LYJFXXJYKWDOKB-SQWLQELKSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134877756 375662314 /nfs/dbraw/zinc/66/23/14/375662314.db2.gz LYJFXXJYKWDOKB-SQWLQELKSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134877756 375662322 /nfs/dbraw/zinc/66/23/22/375662322.db2.gz LYJFXXJYKWDOKB-SQWLQELKSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134877756 375662328 /nfs/dbraw/zinc/66/23/28/375662328.db2.gz LYJFXXJYKWDOKB-SQWLQELKSA-N 2 2 289.423 1.073 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509872 376928311 /nfs/dbraw/zinc/92/83/11/376928311.db2.gz IEQPLBRPJWFKFI-OFQRWUPVSA-N 2 2 291.439 1.626 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509872 376928315 /nfs/dbraw/zinc/92/83/15/376928315.db2.gz IEQPLBRPJWFKFI-OFQRWUPVSA-N 2 2 291.439 1.626 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246509872 376928320 /nfs/dbraw/zinc/92/83/20/376928320.db2.gz IEQPLBRPJWFKFI-OFQRWUPVSA-N 2 2 291.439 1.626 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2CCCOC)CC1 ZINC000282730865 378069231 /nfs/dbraw/zinc/06/92/31/378069231.db2.gz SNGMINPSCXJWEF-UHFFFAOYSA-N 2 2 292.427 1.660 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000287459138 378273882 /nfs/dbraw/zinc/27/38/82/378273882.db2.gz DYUGNYPSHPGMDW-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000266109731 190231618 /nfs/dbraw/zinc/23/16/18/190231618.db2.gz MGSDLOQTVYCFSE-AWEZNQCLSA-N 2 2 279.428 1.649 20 30 CDEDLP C[C@@H]1CN(CC2(C#N)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000343709466 378951750 /nfs/dbraw/zinc/95/17/50/378951750.db2.gz KVLRDAZEAGMNEN-CQSZACIVSA-N 2 2 276.428 1.390 20 30 CDEDLP C[C@@H]1CN(CC2(C#N)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343709466 378951757 /nfs/dbraw/zinc/95/17/57/378951757.db2.gz KVLRDAZEAGMNEN-CQSZACIVSA-N 2 2 276.428 1.390 20 30 CDEDLP Cc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)ccc1C#N ZINC000444002231 250071937 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/nfs/dbraw/zinc/36/36/11/1185363611.db2.gz NFHPXUPLPPJRSD-UHFFFAOYSA-N 2 2 290.411 1.340 20 30 CDEDLP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001753857674 1185365628 /nfs/dbraw/zinc/36/56/28/1185365628.db2.gz XFGHTWRYLFXENG-CYBMUJFWSA-N 2 2 276.384 1.022 20 30 CDEDLP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001753857674 1185365632 /nfs/dbraw/zinc/36/56/32/1185365632.db2.gz XFGHTWRYLFXENG-CYBMUJFWSA-N 2 2 276.384 1.022 20 30 CDEDLP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001754013613 1185426545 /nfs/dbraw/zinc/42/65/45/1185426545.db2.gz OKTDNPAHCOQLTP-CYBMUJFWSA-N 2 2 278.400 1.413 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001754500429 1185645780 /nfs/dbraw/zinc/64/57/80/1185645780.db2.gz IXHKKCJISAXTEJ-HNNXBMFYSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001754500429 1185645783 /nfs/dbraw/zinc/64/57/83/1185645783.db2.gz IXHKKCJISAXTEJ-HNNXBMFYSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001755677240 1186034323 /nfs/dbraw/zinc/03/43/23/1186034323.db2.gz WMPJWCAHNCDEGN-HIFRSBDPSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001755677240 1186034327 /nfs/dbraw/zinc/03/43/27/1186034327.db2.gz WMPJWCAHNCDEGN-HIFRSBDPSA-N 2 2 290.411 1.888 20 30 CDEDLP CC(C)[C@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCOCC1 ZINC000303773729 730458452 /nfs/dbraw/zinc/45/84/52/730458452.db2.gz FKDKTCYGLPROHL-AWEZNQCLSA-N 2 2 282.432 1.048 20 30 CDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001000336947 730468931 /nfs/dbraw/zinc/46/89/31/730468931.db2.gz PRIFFIBHJOJMOL-KGLIPLIRSA-N 2 2 276.384 1.601 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001019602652 730690461 /nfs/dbraw/zinc/69/04/61/730690461.db2.gz MOJXJIUZQUIRNZ-ZDUSSCGKSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041345329 730869151 /nfs/dbraw/zinc/86/91/51/730869151.db2.gz KCTGLGNZUJHPCD-MRXNPFEDSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041345329 730869152 /nfs/dbraw/zinc/86/91/52/730869152.db2.gz KCTGLGNZUJHPCD-MRXNPFEDSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041345329 730869153 /nfs/dbraw/zinc/86/91/53/730869153.db2.gz KCTGLGNZUJHPCD-MRXNPFEDSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041345329 730869154 /nfs/dbraw/zinc/86/91/54/730869154.db2.gz KCTGLGNZUJHPCD-MRXNPFEDSA-N 2 2 288.395 1.453 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001019031556 731046729 /nfs/dbraw/zinc/04/67/29/731046729.db2.gz QLGBZBFBSYQEQG-AWEZNQCLSA-N 2 2 289.379 1.399 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001036275695 731055789 /nfs/dbraw/zinc/05/57/89/731055789.db2.gz JWMAQVBMKMWWBA-ZFWWWQNUSA-N 2 2 290.411 1.365 20 30 CDEDLP Cc1cc(N[NH2+]C2=CC(=O)N3CCCC[C@H]23)cc[nH+]1 ZINC000863159621 731055983 /nfs/dbraw/zinc/05/59/83/731055983.db2.gz XZTXAIQHQFAIBR-CYBMUJFWSA-N 2 2 258.325 1.365 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001020980301 731103555 /nfs/dbraw/zinc/10/35/55/731103555.db2.gz DNDKAQRAMGWUDV-XYPYZODXSA-N 2 2 282.775 1.250 20 30 CDEDLP C=CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001040869153 731228328 /nfs/dbraw/zinc/22/83/28/731228328.db2.gz FFUSZSOSCCUKED-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cn1 ZINC000703880209 731425482 /nfs/dbraw/zinc/42/54/82/731425482.db2.gz VCQKXJKJLLPJRA-UHFFFAOYSA-N 2 2 251.761 1.780 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cn1 ZINC000703880209 731425485 /nfs/dbraw/zinc/42/54/85/731425485.db2.gz VCQKXJKJLLPJRA-UHFFFAOYSA-N 2 2 251.761 1.780 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000827519077 731431502 /nfs/dbraw/zinc/43/15/02/731431502.db2.gz JLRFVHQZAGQMTL-CQSZACIVSA-N 2 2 290.411 1.767 20 30 CDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075906004 731583292 /nfs/dbraw/zinc/58/32/92/731583292.db2.gz DTLVLGKTBDWCSF-DSJMHWKBSA-N 2 2 298.390 1.069 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075906004 731583298 /nfs/dbraw/zinc/58/32/98/731583298.db2.gz DTLVLGKTBDWCSF-DSJMHWKBSA-N 2 2 298.390 1.069 20 30 CDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075906004 731583302 /nfs/dbraw/zinc/58/33/02/731583302.db2.gz DTLVLGKTBDWCSF-DSJMHWKBSA-N 2 2 298.390 1.069 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075906004 731583311 /nfs/dbraw/zinc/58/33/11/731583311.db2.gz DTLVLGKTBDWCSF-DSJMHWKBSA-N 2 2 298.390 1.069 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028606067 731598754 /nfs/dbraw/zinc/59/87/54/731598754.db2.gz KRPJFVGATZZDQP-MGPQQGTHSA-N 2 2 288.395 1.527 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028606067 731598756 /nfs/dbraw/zinc/59/87/56/731598756.db2.gz KRPJFVGATZZDQP-MGPQQGTHSA-N 2 2 288.395 1.527 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028606067 731598761 /nfs/dbraw/zinc/59/87/61/731598761.db2.gz KRPJFVGATZZDQP-MGPQQGTHSA-N 2 2 288.395 1.527 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028606067 731598763 /nfs/dbraw/zinc/59/87/63/731598763.db2.gz KRPJFVGATZZDQP-MGPQQGTHSA-N 2 2 288.395 1.527 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502231 731650338 /nfs/dbraw/zinc/65/03/38/731650338.db2.gz CTSFLGGCBPGQIF-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502231 731650341 /nfs/dbraw/zinc/65/03/41/731650341.db2.gz CTSFLGGCBPGQIF-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001042728153 731805956 /nfs/dbraw/zinc/80/59/56/731805956.db2.gz UEVLPPFYERXYGA-OAHLLOKOSA-N 2 2 277.412 1.047 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000922147452 731824097 /nfs/dbraw/zinc/82/40/97/731824097.db2.gz XDIINQLSKMKJIR-UHFFFAOYSA-N 2 2 274.412 1.728 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000922147452 731824098 /nfs/dbraw/zinc/82/40/98/731824098.db2.gz XDIINQLSKMKJIR-UHFFFAOYSA-N 2 2 274.412 1.728 20 30 CDEDLP C=C(C)CC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001003844912 732169175 /nfs/dbraw/zinc/16/91/75/732169175.db2.gz HVUKUQLEDKQIQY-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071987403 732281758 /nfs/dbraw/zinc/28/17/58/732281758.db2.gz CLMNEBIWQVFQQF-CHWSQXEVSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071987403 732281763 /nfs/dbraw/zinc/28/17/63/732281763.db2.gz CLMNEBIWQVFQQF-CHWSQXEVSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036854747 732361516 /nfs/dbraw/zinc/36/15/16/732361516.db2.gz QHONQQNCLYEASU-KBPBESRZSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036854747 732361522 /nfs/dbraw/zinc/36/15/22/732361522.db2.gz QHONQQNCLYEASU-KBPBESRZSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022691132 732390245 /nfs/dbraw/zinc/39/02/45/732390245.db2.gz PEHJTFILDOGIRT-XQQFMLRXSA-N 2 2 288.395 1.643 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001044127972 732521588 /nfs/dbraw/zinc/52/15/88/732521588.db2.gz FCFKYYAGDAKCGC-UHFFFAOYSA-N 2 2 279.428 1.435 20 30 CDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001009642888 732542642 /nfs/dbraw/zinc/54/26/42/732542642.db2.gz LRKKQPQUSJINCA-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001009642888 732542651 /nfs/dbraw/zinc/54/26/51/732542651.db2.gz LRKKQPQUSJINCA-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001009642888 732542659 /nfs/dbraw/zinc/54/26/59/732542659.db2.gz LRKKQPQUSJINCA-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001009642888 732542669 /nfs/dbraw/zinc/54/26/69/732542669.db2.gz LRKKQPQUSJINCA-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001044841539 732572841 /nfs/dbraw/zinc/57/28/41/732572841.db2.gz NLCWOOLUPRETDO-OCCSQVGLSA-N 2 2 290.411 1.806 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038704630 732711705 /nfs/dbraw/zinc/71/17/05/732711705.db2.gz NFMDPNJCTLDGCA-KRWDZBQOSA-N 2 2 299.418 1.228 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038704630 732711724 /nfs/dbraw/zinc/71/17/24/732711724.db2.gz NFMDPNJCTLDGCA-KRWDZBQOSA-N 2 2 299.418 1.228 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167432300 895665723 /nfs/dbraw/zinc/66/57/23/895665723.db2.gz MKHDGZGBZPYCIK-GFCCVEGCSA-N 2 2 250.346 1.116 20 30 CDEDLP C[NH+](C)CCn1cc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001176449747 914116745 /nfs/dbraw/zinc/11/67/45/914116745.db2.gz RCYKZLKLGBNGCH-UHFFFAOYSA-N 2 2 288.355 1.084 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178852833 915664383 /nfs/dbraw/zinc/66/43/83/915664383.db2.gz ABOUKQQCADRWKX-ZFWWWQNUSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178852833 915664392 /nfs/dbraw/zinc/66/43/92/915664392.db2.gz ABOUKQQCADRWKX-ZFWWWQNUSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CC[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179901730 916053392 /nfs/dbraw/zinc/05/33/92/916053392.db2.gz FUPJADTUISKERG-UHFFFAOYSA-N 2 2 264.373 1.404 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185380743 919563027 /nfs/dbraw/zinc/56/30/27/919563027.db2.gz MPHUNGJPBHMBJN-KBPBESRZSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999006477 919652932 /nfs/dbraw/zinc/65/29/32/919652932.db2.gz DPWWNMADAZJUHT-DNOWBOINSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006064680 923787044 /nfs/dbraw/zinc/78/70/44/923787044.db2.gz KLMQQKQRYZVWIF-UHFFFAOYSA-N 2 2 262.357 1.061 20 30 CDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100787176 936937461 /nfs/dbraw/zinc/93/74/61/936937461.db2.gz TVDMJOBHZQYKRZ-UHFFFAOYSA-N 2 2 282.775 1.189 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001082771562 924995560 /nfs/dbraw/zinc/99/55/60/924995560.db2.gz HHPPICRQOBJJDK-QLFBSQMISA-N 2 2 290.411 1.847 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855310 926459388 /nfs/dbraw/zinc/45/93/88/926459388.db2.gz VGURFLSTXDFSKW-CVEARBPZSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855310 926459394 /nfs/dbraw/zinc/45/93/94/926459394.db2.gz VGURFLSTXDFSKW-CVEARBPZSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855310 926459399 /nfs/dbraw/zinc/45/93/99/926459399.db2.gz VGURFLSTXDFSKW-CVEARBPZSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855310 926459403 /nfs/dbraw/zinc/45/94/03/926459403.db2.gz VGURFLSTXDFSKW-CVEARBPZSA-N 2 2 291.439 1.415 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086407109 927085847 /nfs/dbraw/zinc/08/58/47/927085847.db2.gz UHGUBBUKZGCVEM-IHRRRGAJSA-N 2 2 288.395 1.116 20 30 CDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581313 928978759 /nfs/dbraw/zinc/97/87/59/928978759.db2.gz SOBUCFHLZAZNKS-ILXRZTDVSA-N 2 2 286.379 1.018 20 30 CDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581313 928978765 /nfs/dbraw/zinc/97/87/65/928978765.db2.gz SOBUCFHLZAZNKS-ILXRZTDVSA-N 2 2 286.379 1.018 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134233813 929659762 /nfs/dbraw/zinc/65/97/62/929659762.db2.gz BFMQAXATFLSHDP-NWDGAFQWSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135773813 930405009 /nfs/dbraw/zinc/40/50/09/930405009.db2.gz BHXVAMIEFDHMPI-GHMZBOCLSA-N 2 2 250.346 1.011 20 30 CDEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136055056 930627264 /nfs/dbraw/zinc/62/72/64/930627264.db2.gz MJSLZFSYTJKAIW-UONOGXRCSA-N 2 2 292.427 1.802 20 30 CDEDLP C=CCCCCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495693 937448278 /nfs/dbraw/zinc/44/82/78/937448278.db2.gz NTNJCCGTDGXVSF-UHFFFAOYSA-N 2 2 264.373 1.335 20 30 CDEDLP C[C@@H](C#N)OCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001649792965 1169373127 /nfs/dbraw/zinc/37/31/27/1169373127.db2.gz MDASKGPNHBCPMI-UONOGXRCSA-N 2 2 276.384 1.603 20 30 CDEDLP Cc1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)ncc1C#N ZINC001155058018 937629196 /nfs/dbraw/zinc/62/91/96/937629196.db2.gz QXDDBWOQQIPINY-UHFFFAOYSA-N 2 2 267.336 1.914 20 30 CDEDLP CC(=O)C=C(C)Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001155891320 937685953 /nfs/dbraw/zinc/68/59/53/937685953.db2.gz WIHLOIYOXOYQSO-KHPPLWFESA-N 2 2 274.368 1.914 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038628869 935518669 /nfs/dbraw/zinc/51/86/69/935518669.db2.gz DONRUUFYIUVCFB-KGLIPLIRSA-N 2 2 288.395 1.130 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038628869 935518673 /nfs/dbraw/zinc/51/86/73/935518673.db2.gz DONRUUFYIUVCFB-KGLIPLIRSA-N 2 2 288.395 1.130 20 30 CDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001017601127 935644481 /nfs/dbraw/zinc/64/44/81/935644481.db2.gz ZMTAUXURTRQYDA-XHSDSOJGSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001017601127 935644483 /nfs/dbraw/zinc/64/44/83/935644483.db2.gz ZMTAUXURTRQYDA-XHSDSOJGSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001017601127 935644485 /nfs/dbraw/zinc/64/44/85/935644485.db2.gz ZMTAUXURTRQYDA-XHSDSOJGSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001017601127 935644486 /nfs/dbraw/zinc/64/44/86/935644486.db2.gz ZMTAUXURTRQYDA-XHSDSOJGSA-N 2 2 291.439 1.722 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001038367197 935741844 /nfs/dbraw/zinc/74/18/44/935741844.db2.gz LEFCDUFCMRYZGF-HOTGVXAUSA-N 2 2 289.423 1.075 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC1 ZINC001038367197 935741845 /nfs/dbraw/zinc/74/18/45/935741845.db2.gz LEFCDUFCMRYZGF-HOTGVXAUSA-N 2 2 289.423 1.075 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC1 ZINC001038367197 935741846 /nfs/dbraw/zinc/74/18/46/935741846.db2.gz LEFCDUFCMRYZGF-HOTGVXAUSA-N 2 2 289.423 1.075 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC1 ZINC001038367197 935741847 /nfs/dbraw/zinc/74/18/47/935741847.db2.gz LEFCDUFCMRYZGF-HOTGVXAUSA-N 2 2 289.423 1.075 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046415420 935949886 /nfs/dbraw/zinc/94/98/86/935949886.db2.gz NOUYRUKXCWZGFU-QGZVFWFLSA-N 2 2 296.374 1.780 20 30 CDEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046415420 935949888 /nfs/dbraw/zinc/94/98/88/935949888.db2.gz NOUYRUKXCWZGFU-QGZVFWFLSA-N 2 2 296.374 1.780 20 30 CDEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293896 938475960 /nfs/dbraw/zinc/47/59/60/938475960.db2.gz NNXOMWFPNMGLRA-CQSZACIVSA-N 2 2 278.400 1.676 20 30 CDEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293896 938475963 /nfs/dbraw/zinc/47/59/63/938475963.db2.gz NNXOMWFPNMGLRA-CQSZACIVSA-N 2 2 278.400 1.676 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C3(C#N)CCC3)cn2)CC1 ZINC001157915601 938561617 /nfs/dbraw/zinc/56/16/17/938561617.db2.gz SYTRTYPKCBHFIB-UHFFFAOYSA-N 2 2 298.394 1.621 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158486224 938629012 /nfs/dbraw/zinc/62/90/12/938629012.db2.gz IENHOSNLPVOXKM-UHFFFAOYSA-N 2 2 290.411 1.434 20 30 CDEDLP C[C@@H](Nc1[nH+]ccc2[nH]cc(C#N)c21)[C@H]1C[NH2+]CCO1 ZINC001159500301 938735171 /nfs/dbraw/zinc/73/51/71/938735171.db2.gz RSMQUGKQROBWSH-BXKDBHETSA-N 2 2 271.324 1.223 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2F)CC1 ZINC001160431851 938786719 /nfs/dbraw/zinc/78/67/19/938786719.db2.gz GQBAJLACMNXKTN-OAHLLOKOSA-N 2 2 291.370 1.026 20 30 CDEDLP N#CC1(c2cc[nH+]c(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2)CC1 ZINC001163196474 939223646 /nfs/dbraw/zinc/22/36/46/939223646.db2.gz FEMJEXUPZYTHGJ-IUODEOHRSA-N 2 2 270.336 1.180 20 30 CDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533841 940055604 /nfs/dbraw/zinc/05/56/04/940055604.db2.gz STZOKDRKJJLEEV-CYBMUJFWSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533841 940055606 /nfs/dbraw/zinc/05/56/06/940055606.db2.gz STZOKDRKJJLEEV-CYBMUJFWSA-N 2 2 288.395 1.050 20 30 CDEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970936 940118898 /nfs/dbraw/zinc/11/88/98/940118898.db2.gz QUKWCEXOKSGTRJ-UHFFFAOYSA-N 2 2 290.411 1.678 20 30 CDEDLP C#CCCC[NH+]1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209262920 940453741 /nfs/dbraw/zinc/45/37/41/940453741.db2.gz COYNFJKEDLTPSM-IAGOWNOFSA-N 2 2 286.423 1.587 20 30 CDEDLP C#CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209262920 940453742 /nfs/dbraw/zinc/45/37/42/940453742.db2.gz COYNFJKEDLTPSM-IAGOWNOFSA-N 2 2 286.423 1.587 20 30 CDEDLP C#CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209262920 940453743 /nfs/dbraw/zinc/45/37/43/940453743.db2.gz COYNFJKEDLTPSM-IAGOWNOFSA-N 2 2 286.423 1.587 20 30 CDEDLP C#CCCC[N@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209262920 940453744 /nfs/dbraw/zinc/45/37/44/940453744.db2.gz COYNFJKEDLTPSM-IAGOWNOFSA-N 2 2 286.423 1.587 20 30 CDEDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000402324490 940894166 /nfs/dbraw/zinc/89/41/66/940894166.db2.gz LKDRHNUCIQSMPW-RCBQFDQVSA-N 2 2 273.380 1.793 20 30 CDEDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000402324490 940894167 /nfs/dbraw/zinc/89/41/67/940894167.db2.gz LKDRHNUCIQSMPW-RCBQFDQVSA-N 2 2 273.380 1.793 20 30 CDEDLP C[C@@H](C#N)c1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001218871805 941282074 /nfs/dbraw/zinc/28/20/74/941282074.db2.gz UDWXEFHMAYPWEL-LBPRGKRZSA-N 2 2 286.379 1.594 20 30 CDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccsc1 ZINC001220868799 941478726 /nfs/dbraw/zinc/47/87/26/941478726.db2.gz UZWOLQUTUKDZCM-STQMWFEESA-N 2 2 279.409 1.515 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccsc1 ZINC001220868799 941478727 /nfs/dbraw/zinc/47/87/27/941478727.db2.gz UZWOLQUTUKDZCM-STQMWFEESA-N 2 2 279.409 1.515 20 30 CDEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232678085 943359305 /nfs/dbraw/zinc/35/93/05/943359305.db2.gz VUOFOXAKAKIWSY-HIFRSBDPSA-N 2 2 271.364 1.647 20 30 CDEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232678085 943359310 /nfs/dbraw/zinc/35/93/10/943359310.db2.gz VUOFOXAKAKIWSY-HIFRSBDPSA-N 2 2 271.364 1.647 20 30 CDEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232678085 943359313 /nfs/dbraw/zinc/35/93/13/943359313.db2.gz VUOFOXAKAKIWSY-HIFRSBDPSA-N 2 2 271.364 1.647 20 30 CDEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232678085 943359317 /nfs/dbraw/zinc/35/93/17/943359317.db2.gz VUOFOXAKAKIWSY-HIFRSBDPSA-N 2 2 271.364 1.647 20 30 CDEDLP C=C(CC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001263731169 943955463 /nfs/dbraw/zinc/95/54/63/943955463.db2.gz XGOSRKCSDYNZSA-OAHLLOKOSA-N 2 2 279.428 1.580 20 30 CDEDLP C=C(CC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001263731169 943955465 /nfs/dbraw/zinc/95/54/65/943955465.db2.gz XGOSRKCSDYNZSA-OAHLLOKOSA-N 2 2 279.428 1.580 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246068165 947923838 /nfs/dbraw/zinc/92/38/38/947923838.db2.gz ZEFQGYBWJNDUPE-LSDHHAIUSA-N 2 2 284.444 1.757 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246068165 947923849 /nfs/dbraw/zinc/92/38/49/947923849.db2.gz ZEFQGYBWJNDUPE-LSDHHAIUSA-N 2 2 284.444 1.757 20 30 CDEDLP C=CCOC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246089787 947940233 /nfs/dbraw/zinc/94/02/33/947940233.db2.gz DTFQZKKPOOOYHI-PQAZSJQKSA-N 2 2 256.365 1.790 20 30 CDEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246099719 947951423 /nfs/dbraw/zinc/95/14/23/947951423.db2.gz RVHVUVXKLWDLAU-DFBGVHRSSA-N 2 2 261.344 1.779 20 30 CDEDLP N#Cc1ccccc1OCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246329143 948109770 /nfs/dbraw/zinc/10/97/70/948109770.db2.gz NSUGTOZDVIKYSY-CQSZACIVSA-N 2 2 259.353 1.669 20 30 CDEDLP N#Cc1ccccc1CN1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246359548 948130522 /nfs/dbraw/zinc/13/05/22/948130522.db2.gz BVLXEKUXIBCARE-SFHVURJKSA-N 2 2 298.434 1.864 20 30 CDEDLP N#Cc1ccccc1C[NH+]1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC001246359548 948130524 /nfs/dbraw/zinc/13/05/24/948130524.db2.gz BVLXEKUXIBCARE-SFHVURJKSA-N 2 2 298.434 1.864 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246766058 948431039 /nfs/dbraw/zinc/43/10/39/948431039.db2.gz JQPQZVYMOVEMTB-HRCADAONSA-N 2 2 280.412 1.565 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246766058 948431041 /nfs/dbraw/zinc/43/10/41/948431041.db2.gz JQPQZVYMOVEMTB-HRCADAONSA-N 2 2 280.412 1.565 20 30 CDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnn4ccc(C#N)cc34)C2)C1 ZINC001249118727 949390709 /nfs/dbraw/zinc/39/07/09/949390709.db2.gz KBLRSGBIFNRJPB-QGZVFWFLSA-N 2 2 295.390 1.734 20 30 CDEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnn4ccc(C#N)cc34)C2)C1 ZINC001249118727 949390728 /nfs/dbraw/zinc/39/07/28/949390728.db2.gz KBLRSGBIFNRJPB-QGZVFWFLSA-N 2 2 295.390 1.734 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnn4ccc(C#N)cc34)C2)C1 ZINC001249118727 949390748 /nfs/dbraw/zinc/39/07/48/949390748.db2.gz KBLRSGBIFNRJPB-QGZVFWFLSA-N 2 2 295.390 1.734 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnn4ccc(C#N)cc34)C2)C1 ZINC001249118727 949390764 /nfs/dbraw/zinc/39/07/64/949390764.db2.gz KBLRSGBIFNRJPB-QGZVFWFLSA-N 2 2 295.390 1.734 20 30 CDEDLP C#CCOC[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001251881144 950910993 /nfs/dbraw/zinc/91/09/93/950910993.db2.gz OPEMGDTZOKSNJE-DLBZAZTESA-N 2 2 290.407 1.280 20 30 CDEDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001332399594 957548131 /nfs/dbraw/zinc/54/81/31/957548131.db2.gz DRXIHDOXUGXKOB-DOMZBBRYSA-N 2 2 259.353 1.819 20 30 CDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001318897287 958294606 /nfs/dbraw/zinc/29/46/06/958294606.db2.gz MSKCUUSKQXRMBI-CYBMUJFWSA-N 2 2 274.368 1.048 20 30 CDEDLP C[NH+]1CCN(c2ncc(C=[NH+]OC(C)(C)C)cn2)CC1 ZINC001336230388 960261472 /nfs/dbraw/zinc/26/14/72/960261472.db2.gz WIBFFXXLZHMQON-UHFFFAOYSA-N 2 2 277.372 1.377 20 30 CDEDLP C#C[C@@H](CCC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001338520529 961852881 /nfs/dbraw/zinc/85/28/81/961852881.db2.gz ROCNHQDQNCDQOH-DLBZAZTESA-N 2 2 274.408 1.871 20 30 CDEDLP C#C[C@@H](CCC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001338520529 961852897 /nfs/dbraw/zinc/85/28/97/961852897.db2.gz ROCNHQDQNCDQOH-DLBZAZTESA-N 2 2 274.408 1.871 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001420141381 962503357 /nfs/dbraw/zinc/50/33/57/962503357.db2.gz TWYFQTLUHNBJJX-LLVKDONJSA-N 2 2 284.791 1.200 20 30 CDEDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001353329833 967903816 /nfs/dbraw/zinc/90/38/16/967903816.db2.gz REZRTJFJRVFOMV-CHWSQXEVSA-N 2 2 267.417 1.750 20 30 CDEDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001353329833 967903825 /nfs/dbraw/zinc/90/38/25/967903825.db2.gz REZRTJFJRVFOMV-CHWSQXEVSA-N 2 2 267.417 1.750 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001398452645 975990458 /nfs/dbraw/zinc/99/04/58/975990458.db2.gz WBNDJRHQOUNWNQ-LLVKDONJSA-N 2 2 282.775 1.189 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133274464 1163622569 /nfs/dbraw/zinc/62/25/69/1163622569.db2.gz IKKRITFBQHNEGN-GXTWGEPZSA-N 2 2 290.411 1.521 20 30 CDEDLP N#Cc1ccccc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000159788314 362526574 /nfs/dbraw/zinc/52/65/74/362526574.db2.gz NOMWLZDPEYLDIA-UHFFFAOYSA-N 2 2 281.363 1.577 20 30 CDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449399135 362694750 /nfs/dbraw/zinc/69/47/50/362694750.db2.gz XTGQEAKGXHMXGJ-QLFBSQMISA-N 2 2 265.401 1.505 20 30 CDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449399135 362694758 /nfs/dbraw/zinc/69/47/58/362694758.db2.gz XTGQEAKGXHMXGJ-QLFBSQMISA-N 2 2 265.401 1.505 20 30 CDEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392779 346775979 /nfs/dbraw/zinc/77/59/79/346775979.db2.gz LSIHQSPDIOEZIT-FUHWJXTLSA-N 2 2 298.434 1.771 20 30 CDEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392779 346775981 /nfs/dbraw/zinc/77/59/81/346775981.db2.gz LSIHQSPDIOEZIT-FUHWJXTLSA-N 2 2 298.434 1.771 20 30 CDEDLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391835 346776041 /nfs/dbraw/zinc/77/60/41/346776041.db2.gz AOTZGXQAQFZNIO-HOCLYGCPSA-N 2 2 273.380 1.448 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068326074 347562259 /nfs/dbraw/zinc/56/22/59/347562259.db2.gz KMWOZRAGWVYFSM-UHFFFAOYSA-N 2 2 282.347 1.115 20 30 CDEDLP C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000619718392 348184068 /nfs/dbraw/zinc/18/40/68/348184068.db2.gz LJGYBVKDNHWCPX-KGLIPLIRSA-N 2 2 284.400 1.147 20 30 CDEDLP C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000619718392 348184070 /nfs/dbraw/zinc/18/40/70/348184070.db2.gz LJGYBVKDNHWCPX-KGLIPLIRSA-N 2 2 284.400 1.147 20 30 CDEDLP C[NH+]=C(NCC[N@H+](C)Cc1ccccc1)NC1CC1 ZINC000264036121 362952240 /nfs/dbraw/zinc/95/22/40/362952240.db2.gz GNIXIAGQLNQMTQ-UHFFFAOYSA-N 2 2 260.385 1.446 20 30 CDEDLP C[NH+]=C(NCC[N@@H+](C)Cc1ccccc1)NC1CC1 ZINC000264036121 362952246 /nfs/dbraw/zinc/95/22/46/362952246.db2.gz GNIXIAGQLNQMTQ-UHFFFAOYSA-N 2 2 260.385 1.446 20 30 CDEDLP CCN(CC)C(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000264073078 362958177 /nfs/dbraw/zinc/95/81/77/362958177.db2.gz DTQFMGOPTPJPGW-UHFFFAOYSA-N 2 2 286.383 1.732 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000337176569 360010185 /nfs/dbraw/zinc/01/01/85/360010185.db2.gz JLJUIPYDGMKTDV-HUUCEWRRSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000337176569 360010188 /nfs/dbraw/zinc/01/01/88/360010188.db2.gz JLJUIPYDGMKTDV-HUUCEWRRSA-N 2 2 277.412 1.191 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCCC[C@@H]2C)CC1 ZINC000491370827 365067196 /nfs/dbraw/zinc/06/71/96/365067196.db2.gz BGTLLPPUWPPWKR-DOTOQJQBSA-N 2 2 291.439 1.322 20 30 CDEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000305099207 370859793 /nfs/dbraw/zinc/85/97/93/370859793.db2.gz XABQSRYQMXJXEF-HZPDHXFCSA-N 2 2 282.428 1.358 20 30 CDEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000305099207 370859796 /nfs/dbraw/zinc/85/97/96/370859796.db2.gz XABQSRYQMXJXEF-HZPDHXFCSA-N 2 2 282.428 1.358 20 30 CDEDLP C=C(CC)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000358501843 367730435 /nfs/dbraw/zinc/73/04/35/367730435.db2.gz UDMXXBXPOKNUPS-CQSZACIVSA-N 2 2 265.401 1.191 20 30 CDEDLP C=C(CC)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000358501843 367730440 /nfs/dbraw/zinc/73/04/40/367730440.db2.gz UDMXXBXPOKNUPS-CQSZACIVSA-N 2 2 265.401 1.191 20 30 CDEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC000170938048 372140322 /nfs/dbraw/zinc/14/03/22/372140322.db2.gz VKNVDTMBEHMERP-UHFFFAOYSA-N 2 2 286.383 1.816 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000177908303 372126579 /nfs/dbraw/zinc/12/65/79/372126579.db2.gz VUEOSGFQJBVYNS-IIAWOOMASA-N 3 2 265.445 1.955 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000177908303 372126585 /nfs/dbraw/zinc/12/65/85/372126585.db2.gz VUEOSGFQJBVYNS-IIAWOOMASA-N 3 2 265.445 1.955 20 30 CDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1(C#N)CC1 ZINC000343296559 377877492 /nfs/dbraw/zinc/87/74/92/377877492.db2.gz DPXHZBLQWXEVIX-MGPQQGTHSA-N 2 2 263.385 1.474 20 30 CDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1(C#N)CC1 ZINC000343296559 377877497 /nfs/dbraw/zinc/87/74/97/377877497.db2.gz DPXHZBLQWXEVIX-MGPQQGTHSA-N 2 2 263.385 1.474 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000292807575 378516395 /nfs/dbraw/zinc/51/63/95/378516395.db2.gz NUGFSQSFHYNTKH-UHFFFAOYSA-N 2 2 287.411 1.834 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000292807575 378516400 /nfs/dbraw/zinc/51/64/00/378516400.db2.gz NUGFSQSFHYNTKH-UHFFFAOYSA-N 2 2 287.411 1.834 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000292807575 378516407 /nfs/dbraw/zinc/51/64/07/378516407.db2.gz NUGFSQSFHYNTKH-UHFFFAOYSA-N 2 2 287.411 1.834 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000292807575 378516412 /nfs/dbraw/zinc/51/64/12/378516412.db2.gz NUGFSQSFHYNTKH-UHFFFAOYSA-N 2 2 287.411 1.834 20 30 CDEDLP C[N@H+](CCNC(=[NH2+])NC(C)(C)C)Cc1ccccc1 ZINC000170910075 390942275 /nfs/dbraw/zinc/94/22/75/390942275.db2.gz BKUBTLFKRDBJAG-UHFFFAOYSA-N 2 2 262.401 1.821 20 30 CDEDLP C[N@@H+](CCNC(=[NH2+])NC(C)(C)C)Cc1ccccc1 ZINC000170910075 390942276 /nfs/dbraw/zinc/94/22/76/390942276.db2.gz BKUBTLFKRDBJAG-UHFFFAOYSA-N 2 2 262.401 1.821 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926890 391323292 /nfs/dbraw/zinc/32/32/92/391323292.db2.gz QIINQKQMTRXNOV-UHFFFAOYSA-N 2 2 251.374 1.000 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788611 391471260 /nfs/dbraw/zinc/47/12/60/391471260.db2.gz NCMPAKIOTPFTAZ-SQWLQELKSA-N 3 2 263.429 1.615 20 30 CDEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191419583 130234811 /nfs/dbraw/zinc/23/48/11/130234811.db2.gz FOQTTXIBOSEWKT-CYBMUJFWSA-N 2 2 260.385 1.670 20 30 CDEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191419583 130234812 /nfs/dbraw/zinc/23/48/12/130234812.db2.gz FOQTTXIBOSEWKT-CYBMUJFWSA-N 2 2 260.385 1.670 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191419583 130234813 /nfs/dbraw/zinc/23/48/13/130234813.db2.gz FOQTTXIBOSEWKT-CYBMUJFWSA-N 2 2 260.385 1.670 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191419583 130234814 /nfs/dbraw/zinc/23/48/14/130234814.db2.gz FOQTTXIBOSEWKT-CYBMUJFWSA-N 2 2 260.385 1.670 20 30 CDEDLP CN1CC[NH+]=C1NCc1ccccc1-n1cc[nH+]c1 ZINC000262673512 391810203 /nfs/dbraw/zinc/81/02/03/391810203.db2.gz SCIQYIGIIZDVGS-UHFFFAOYSA-N 2 2 255.325 1.263 20 30 CDEDLP C=CCCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393487 392169166 /nfs/dbraw/zinc/16/91/66/392169166.db2.gz WQOVNLXYEFHQFN-OAHLLOKOSA-N 2 2 279.428 1.757 20 30 CDEDLP C=CCCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393487 392169170 /nfs/dbraw/zinc/16/91/70/392169170.db2.gz WQOVNLXYEFHQFN-OAHLLOKOSA-N 2 2 279.428 1.757 20 30 CDEDLP CCC#C[C@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649624937 397879771 /nfs/dbraw/zinc/87/97/71/397879771.db2.gz QRIKQPLUDAGVIU-AWEZNQCLSA-N 2 2 264.413 1.615 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)/C=C\c1[nH+]ccn1CC ZINC000490936756 261257690 /nfs/dbraw/zinc/25/76/90/261257690.db2.gz RPBGZIYSSCPRFR-DANTVBBOSA-N 2 2 287.363 1.557 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)/C=C\c1[nH+]ccn1CC ZINC000490936756 261257693 /nfs/dbraw/zinc/25/76/93/261257693.db2.gz RPBGZIYSSCPRFR-DANTVBBOSA-N 2 2 287.363 1.557 20 30 CDEDLP C#CCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372943653 262279035 /nfs/dbraw/zinc/27/90/35/262279035.db2.gz SZMYFJJSZJKRLK-AWEZNQCLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372943653 262279037 /nfs/dbraw/zinc/27/90/37/262279037.db2.gz SZMYFJJSZJKRLK-AWEZNQCLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CCNC(NCCc1cn2ccccc2[nH+]1)=[NH+]CC ZINC000262635479 262779961 /nfs/dbraw/zinc/77/99/61/262779961.db2.gz ZHRPKULEIGBOCF-UHFFFAOYSA-N 2 2 269.352 1.065 20 30 CDEDLP CN(C(=[NH2+])NCC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000273333202 263015561 /nfs/dbraw/zinc/01/55/61/263015561.db2.gz KHANBEISGIJRJG-UHFFFAOYSA-N 2 2 260.385 1.527 20 30 CDEDLP CN(C(=[NH2+])NCC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000273333202 263015562 /nfs/dbraw/zinc/01/55/62/263015562.db2.gz KHANBEISGIJRJG-UHFFFAOYSA-N 2 2 260.385 1.527 20 30 CDEDLP CNC(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)=[NH+]C ZINC000277284614 263040537 /nfs/dbraw/zinc/04/05/37/263040537.db2.gz KHBOMMJSUZSENS-CQSZACIVSA-N 2 2 292.452 1.399 20 30 CDEDLP CNC(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)=[NH+]C ZINC000277284614 263040538 /nfs/dbraw/zinc/04/05/38/263040538.db2.gz KHBOMMJSUZSENS-CQSZACIVSA-N 2 2 292.452 1.399 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655710581 424472615 /nfs/dbraw/zinc/47/26/15/424472615.db2.gz BLFAMSSLKAUVOD-CQSZACIVSA-N 2 2 260.385 1.958 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174222124 329155587 /nfs/dbraw/zinc/15/55/87/329155587.db2.gz UHXQVJMKULNEKB-OAHLLOKOSA-N 2 2 294.443 1.412 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174222124 329155589 /nfs/dbraw/zinc/15/55/89/329155589.db2.gz UHXQVJMKULNEKB-OAHLLOKOSA-N 2 2 294.443 1.412 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000491165769 332159883 /nfs/dbraw/zinc/15/98/83/332159883.db2.gz NDONDEINNWNPJF-UHFFFAOYSA-N 3 2 263.429 1.406 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000491453553 332214540 /nfs/dbraw/zinc/21/45/40/332214540.db2.gz SJJPNHCZTCKVOG-INIZCTEOSA-N 2 2 293.455 1.616 20 30 CDEDLP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001755236791 1159809600 /nfs/dbraw/zinc/80/96/00/1159809600.db2.gz JCCMGIRGGYLVDW-VXGBXAGGSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001755236791 1159809604 /nfs/dbraw/zinc/80/96/04/1159809604.db2.gz JCCMGIRGGYLVDW-VXGBXAGGSA-N 2 2 264.373 1.401 20 30 CDEDLP CC#CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755305760 1159828811 /nfs/dbraw/zinc/82/88/11/1159828811.db2.gz VVDHFGMYNFEENA-CQSZACIVSA-N 2 2 290.411 1.386 20 30 CDEDLP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755305760 1159828822 /nfs/dbraw/zinc/82/88/22/1159828822.db2.gz VVDHFGMYNFEENA-CQSZACIVSA-N 2 2 290.411 1.386 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796624 526633075 /nfs/dbraw/zinc/63/30/75/526633075.db2.gz VDKASFGPDFZKSO-LBPRGKRZSA-N 2 2 262.357 1.211 20 30 CDEDLP CC1CC[NH+](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330319581 528226404 /nfs/dbraw/zinc/22/64/04/528226404.db2.gz RIXYOPTZOFJMJV-ZDUSSCGKSA-N 2 2 276.384 1.886 20 30 CDEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cnccn3)cc2)CC1 ZINC000771551842 575589476 /nfs/dbraw/zinc/58/94/76/575589476.db2.gz VHCRNPNWFPIEST-UHFFFAOYSA-N 2 2 296.378 1.674 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000764462229 575910938 /nfs/dbraw/zinc/91/09/38/575910938.db2.gz QQBFYGFWZKIQBC-GFCCVEGCSA-N 2 2 262.357 1.581 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266083 613221121 /nfs/dbraw/zinc/22/11/21/613221121.db2.gz ZSFZFKPVFYYNGI-CZUORRHYSA-N 2 2 296.374 1.408 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266083 613221122 /nfs/dbraw/zinc/22/11/22/613221122.db2.gz ZSFZFKPVFYYNGI-CZUORRHYSA-N 2 2 296.374 1.408 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000951750004 613294357 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/nfs/dbraw/zinc/82/13/62/733821362.db2.gz IYZNFLNQGUDQRX-HUUCEWRRSA-N 2 2 288.395 1.525 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001039460173 733852090 /nfs/dbraw/zinc/85/20/90/733852090.db2.gz CVRZRKRTXDWGQQ-KGLIPLIRSA-N 2 2 288.395 1.214 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001039460173 733852091 /nfs/dbraw/zinc/85/20/91/733852091.db2.gz CVRZRKRTXDWGQQ-KGLIPLIRSA-N 2 2 288.395 1.214 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023485811 733860803 /nfs/dbraw/zinc/86/08/03/733860803.db2.gz GKTYSWKVQIBEFS-AWEZNQCLSA-N 2 2 298.390 1.962 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023485811 733860804 /nfs/dbraw/zinc/86/08/04/733860804.db2.gz GKTYSWKVQIBEFS-AWEZNQCLSA-N 2 2 298.390 1.962 20 30 CDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001009642882 733868939 /nfs/dbraw/zinc/86/89/39/733868939.db2.gz LRKKQPQUSJINCA-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001009642882 733868940 /nfs/dbraw/zinc/86/89/40/733868940.db2.gz LRKKQPQUSJINCA-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001009642882 733868941 /nfs/dbraw/zinc/86/89/41/733868941.db2.gz LRKKQPQUSJINCA-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001009642882 733868942 /nfs/dbraw/zinc/86/89/42/733868942.db2.gz LRKKQPQUSJINCA-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996560140 733922908 /nfs/dbraw/zinc/92/29/08/733922908.db2.gz BYLVOVHKSMPAHA-ZDUSSCGKSA-N 2 2 276.384 1.273 20 30 CDEDLP C=CCNC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000849009817 733955599 /nfs/dbraw/zinc/95/55/99/733955599.db2.gz SFBOFUQXLWJSFC-UHFFFAOYSA-N 2 2 269.352 1.731 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC001027939405 734198063 /nfs/dbraw/zinc/19/80/63/734198063.db2.gz PFGMZZNPNNJQGV-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC001027939405 734198066 /nfs/dbraw/zinc/19/80/66/734198066.db2.gz PFGMZZNPNNJQGV-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(C)C ZINC001027939405 734198068 /nfs/dbraw/zinc/19/80/68/734198068.db2.gz PFGMZZNPNNJQGV-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(C)C ZINC001027939405 734198070 /nfs/dbraw/zinc/19/80/70/734198070.db2.gz PFGMZZNPNNJQGV-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000996685496 734212385 /nfs/dbraw/zinc/21/23/85/734212385.db2.gz QZEBXSBQNKRDGP-ZIAGYGMSSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000996685496 734212391 /nfs/dbraw/zinc/21/23/91/734212391.db2.gz QZEBXSBQNKRDGP-ZIAGYGMSSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001014424358 734227115 /nfs/dbraw/zinc/22/71/15/734227115.db2.gz LQHLPRYMAPNHPH-AWEZNQCLSA-N 2 2 284.363 1.633 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001014424358 734227120 /nfs/dbraw/zinc/22/71/20/734227120.db2.gz LQHLPRYMAPNHPH-AWEZNQCLSA-N 2 2 284.363 1.633 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015305826 734255188 /nfs/dbraw/zinc/25/51/88/734255188.db2.gz FRSPWXQNZFNFMQ-CYBMUJFWSA-N 2 2 288.395 1.138 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015305826 734255192 /nfs/dbraw/zinc/25/51/92/734255192.db2.gz FRSPWXQNZFNFMQ-CYBMUJFWSA-N 2 2 288.395 1.138 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001044034373 734304528 /nfs/dbraw/zinc/30/45/28/734304528.db2.gz MQSHEYRAQXPAIO-HOCLYGCPSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001044034373 734304531 /nfs/dbraw/zinc/30/45/31/734304531.db2.gz MQSHEYRAQXPAIO-HOCLYGCPSA-N 2 2 289.423 1.169 20 30 CDEDLP N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000819243561 734304756 /nfs/dbraw/zinc/30/47/56/734304756.db2.gz AZQPXANFKZQSOM-GJZGRUSLSA-N 2 2 282.347 1.393 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992538513 734464747 /nfs/dbraw/zinc/46/47/47/734464747.db2.gz WBIZRDKLVNAHFL-HOCLYGCPSA-N 2 2 286.379 1.020 20 30 CDEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992538513 734464751 /nfs/dbraw/zinc/46/47/51/734464751.db2.gz WBIZRDKLVNAHFL-HOCLYGCPSA-N 2 2 286.379 1.020 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001036124909 734823190 /nfs/dbraw/zinc/82/31/90/734823190.db2.gz JPVOKDNBDBJTIY-KBPBESRZSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001031254603 734880687 /nfs/dbraw/zinc/88/06/87/734880687.db2.gz WCNHOOOMRKDUGO-HIFRSBDPSA-N 2 2 279.428 1.483 20 30 CDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001032444506 734888211 /nfs/dbraw/zinc/88/82/11/734888211.db2.gz BIXQOZDZUCZGLS-KKUMJFAQSA-N 2 2 298.390 1.069 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001032444506 734888213 /nfs/dbraw/zinc/88/82/13/734888213.db2.gz BIXQOZDZUCZGLS-KKUMJFAQSA-N 2 2 298.390 1.069 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036850684 735151323 /nfs/dbraw/zinc/15/13/23/735151323.db2.gz ALRSHHBSLYHQCN-OLZOCXBDSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036850684 735151326 /nfs/dbraw/zinc/15/13/26/735151326.db2.gz ALRSHHBSLYHQCN-OLZOCXBDSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992837200 735605381 /nfs/dbraw/zinc/60/53/81/735605381.db2.gz PJZBQSXBKWJIII-AEGPPILISA-N 2 2 288.395 1.355 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702046 735801000 /nfs/dbraw/zinc/80/10/00/735801000.db2.gz RFWPNBZIGHSKSM-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702046 735801004 /nfs/dbraw/zinc/80/10/04/735801004.db2.gz RFWPNBZIGHSKSM-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C[C@H]1C(=NN2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000811628795 736098280 /nfs/dbraw/zinc/09/82/80/736098280.db2.gz MQNIHWNHYDNBTK-HNNXBMFYSA-N 2 2 286.423 1.884 20 30 CDEDLP C[C@H]1C(=NN2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000811628795 736098284 /nfs/dbraw/zinc/09/82/84/736098284.db2.gz MQNIHWNHYDNBTK-HNNXBMFYSA-N 2 2 286.423 1.884 20 30 CDEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829865 914281208 /nfs/dbraw/zinc/28/12/08/914281208.db2.gz SEHRGVABETVNJB-CQSZACIVSA-N 2 2 278.400 1.724 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001088678011 908769408 /nfs/dbraw/zinc/76/94/08/908769408.db2.gz CEWPMZYHUMTUPM-MCIONIFRSA-N 2 2 288.395 1.211 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001483251054 910736864 /nfs/dbraw/zinc/73/68/64/910736864.db2.gz IRBZTSIPRDXKCN-NSHDSACASA-N 2 2 284.791 1.200 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171890462 911004900 /nfs/dbraw/zinc/00/49/00/911004900.db2.gz XAWOXFAVQMBYKT-AWEZNQCLSA-N 2 2 290.411 1.251 20 30 CDEDLP C=CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122441 911313763 /nfs/dbraw/zinc/31/37/63/911313763.db2.gz QQRMBOWVDXUUAV-MUJYYYPQSA-N 2 2 263.429 1.805 20 30 CDEDLP C=CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122441 911313783 /nfs/dbraw/zinc/31/37/83/911313783.db2.gz QQRMBOWVDXUUAV-MUJYYYPQSA-N 2 2 263.429 1.805 20 30 CDEDLP C=CCN1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122441 911313804 /nfs/dbraw/zinc/31/38/04/911313804.db2.gz QQRMBOWVDXUUAV-MUJYYYPQSA-N 2 2 263.429 1.805 20 30 CDEDLP C=CCN1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122441 911313826 /nfs/dbraw/zinc/31/38/26/911313826.db2.gz QQRMBOWVDXUUAV-MUJYYYPQSA-N 2 2 263.429 1.805 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001095005816 912156412 /nfs/dbraw/zinc/15/64/12/912156412.db2.gz UQABBTJUBXUZLW-OBJOEFQTSA-N 2 2 274.368 1.107 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180287883 916257275 /nfs/dbraw/zinc/25/72/75/916257275.db2.gz MQPXBNQYJRKVBI-KBPBESRZSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001183581032 918551181 /nfs/dbraw/zinc/55/11/81/918551181.db2.gz DOIFQSFDLNEVHY-CQSZACIVSA-N 2 2 290.411 1.693 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185501977 919633108 /nfs/dbraw/zinc/63/31/08/919633108.db2.gz JYRIQYHJQBSRAB-UONOGXRCSA-N 2 2 290.411 1.223 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190547615 922057665 /nfs/dbraw/zinc/05/76/65/922057665.db2.gz QWDSYCKNAMOVFT-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190547615 922057678 /nfs/dbraw/zinc/05/76/78/922057678.db2.gz QWDSYCKNAMOVFT-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190547615 922057695 /nfs/dbraw/zinc/05/76/95/922057695.db2.gz QWDSYCKNAMOVFT-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190547615 922057709 /nfs/dbraw/zinc/05/77/09/922057709.db2.gz QWDSYCKNAMOVFT-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203060301 936744565 /nfs/dbraw/zinc/74/45/65/936744565.db2.gz VDERIMJDJKVNMP-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215228 936922362 /nfs/dbraw/zinc/92/23/62/936922362.db2.gz NVKSTNVUIPZVRX-AWEZNQCLSA-N 2 2 290.411 1.508 20 30 CDEDLP Cc1cc(C#N)nc(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164207520 924671066 /nfs/dbraw/zinc/67/10/66/924671066.db2.gz ZUKFDFKLDABNRW-UHFFFAOYSA-N 2 2 288.399 1.095 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084422844 925249575 /nfs/dbraw/zinc/24/95/75/925249575.db2.gz LIBQFBCFAJMBIC-IXYNUQLISA-N 2 2 298.390 1.069 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084422844 925249580 /nfs/dbraw/zinc/24/95/80/925249580.db2.gz LIBQFBCFAJMBIC-IXYNUQLISA-N 2 2 298.390 1.069 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086427154 927115502 /nfs/dbraw/zinc/11/55/02/927115502.db2.gz CJCBAOBZKWSSOY-JOCQHMNTSA-N 2 2 282.347 1.066 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135074432 930034170 /nfs/dbraw/zinc/03/41/70/930034170.db2.gz NKMATISIRMWFQN-QWHCGFSZSA-N 2 2 278.400 1.412 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080167 930039776 /nfs/dbraw/zinc/03/97/76/930039776.db2.gz LXMQJSXOHNIWFB-GFCCVEGCSA-N 2 2 264.373 1.260 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080167 930039783 /nfs/dbraw/zinc/03/97/83/930039783.db2.gz LXMQJSXOHNIWFB-GFCCVEGCSA-N 2 2 264.373 1.260 20 30 CDEDLP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001245995184 930856745 /nfs/dbraw/zinc/85/67/45/930856745.db2.gz MCKQDKWWDOHLFG-QLFBSQMISA-N 2 2 270.417 1.044 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001091105301 931822666 /nfs/dbraw/zinc/82/26/66/931822666.db2.gz JQWFBNPNEIIPHV-MOKVOYLWSA-N 2 2 288.395 1.116 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147872020 932625478 /nfs/dbraw/zinc/62/54/78/932625478.db2.gz XISLERBTUVERMI-LBPRGKRZSA-N 2 2 264.373 1.023 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091724797 932728623 /nfs/dbraw/zinc/72/86/23/932728623.db2.gz PAHXOSSDFOFMQY-CJNGLKHVSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091724797 932728627 /nfs/dbraw/zinc/72/86/27/932728627.db2.gz PAHXOSSDFOFMQY-CJNGLKHVSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091724797 932728632 /nfs/dbraw/zinc/72/86/32/932728632.db2.gz PAHXOSSDFOFMQY-CJNGLKHVSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091724797 932728635 /nfs/dbraw/zinc/72/86/35/932728635.db2.gz PAHXOSSDFOFMQY-CJNGLKHVSA-N 2 2 288.395 1.309 20 30 CDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001095625733 932732214 /nfs/dbraw/zinc/73/22/14/932732214.db2.gz DQCBLAVZLXVBOU-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001095625733 932732218 /nfs/dbraw/zinc/73/22/18/932732218.db2.gz DQCBLAVZLXVBOU-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001095625733 932732222 /nfs/dbraw/zinc/73/22/22/932732222.db2.gz DQCBLAVZLXVBOU-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001095625733 932732227 /nfs/dbraw/zinc/73/22/27/932732227.db2.gz DQCBLAVZLXVBOU-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP N#Cc1cccnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155053873 937628084 /nfs/dbraw/zinc/62/80/84/937628084.db2.gz TVLGSQIGKJVHTK-UHFFFAOYSA-N 2 2 253.309 1.606 20 30 CDEDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC001120590887 937814705 /nfs/dbraw/zinc/81/47/05/937814705.db2.gz RZENUQISPPXBJV-XJKSGUPXSA-N 2 2 273.380 1.523 20 30 CDEDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC001120590887 937814707 /nfs/dbraw/zinc/81/47/07/937814707.db2.gz RZENUQISPPXBJV-XJKSGUPXSA-N 2 2 273.380 1.523 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001122040449 937901420 /nfs/dbraw/zinc/90/14/20/937901420.db2.gz ZYQNRCCNJJOHQH-KBPBESRZSA-N 2 2 288.395 1.460 20 30 CDEDLP C[NH+](C)C1(CNc2ncccc2C#N)CC[NH+](C)CC1 ZINC001156176149 938328802 /nfs/dbraw/zinc/32/88/02/938328802.db2.gz KEURIOFMHMEFQN-UHFFFAOYSA-N 2 2 273.384 1.391 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160325978 938780594 /nfs/dbraw/zinc/78/05/94/938780594.db2.gz IANBCMIXTOCWDG-VXGBXAGGSA-N 2 2 262.357 1.185 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160325978 938780595 /nfs/dbraw/zinc/78/05/95/938780595.db2.gz IANBCMIXTOCWDG-VXGBXAGGSA-N 2 2 262.357 1.185 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849103 940395588 /nfs/dbraw/zinc/39/55/88/940395588.db2.gz PUXWGLMPKVSHQV-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985847 940418947 /nfs/dbraw/zinc/41/89/47/940418947.db2.gz YZIDYXAIBCJTQP-QLFBSQMISA-N 2 2 288.395 1.294 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985847 940418949 /nfs/dbraw/zinc/41/89/49/940418949.db2.gz YZIDYXAIBCJTQP-QLFBSQMISA-N 2 2 288.395 1.294 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210514671 940695680 /nfs/dbraw/zinc/69/56/80/940695680.db2.gz ZZJDCXMZMRZXDH-DGCLKSJQSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210514671 940695682 /nfs/dbraw/zinc/69/56/82/940695682.db2.gz ZZJDCXMZMRZXDH-DGCLKSJQSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210514671 940695685 /nfs/dbraw/zinc/69/56/85/940695685.db2.gz ZZJDCXMZMRZXDH-DGCLKSJQSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210514671 940695687 /nfs/dbraw/zinc/69/56/87/940695687.db2.gz ZZJDCXMZMRZXDH-DGCLKSJQSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214811934 940839657 /nfs/dbraw/zinc/83/96/57/940839657.db2.gz KNFPXDPJFLJSQV-UKRRQHHQSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214811934 940839661 /nfs/dbraw/zinc/83/96/61/940839661.db2.gz KNFPXDPJFLJSQV-UKRRQHHQSA-N 2 2 290.411 1.745 20 30 CDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215854462 940910980 /nfs/dbraw/zinc/91/09/80/940910980.db2.gz GBQRCTUKZHXZGR-GZBFAFLISA-N 2 2 288.395 1.048 20 30 CDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215854462 940910983 /nfs/dbraw/zinc/91/09/83/940910983.db2.gz GBQRCTUKZHXZGR-GZBFAFLISA-N 2 2 288.395 1.048 20 30 CDEDLP C#CCC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001225285331 941839129 /nfs/dbraw/zinc/83/91/29/941839129.db2.gz LPWODXFHQAZUIM-UHFFFAOYSA-N 2 2 288.395 1.112 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001316604703 942464702 /nfs/dbraw/zinc/46/47/02/942464702.db2.gz UJQJNAZCKNDWRN-HIFRSBDPSA-N 2 2 290.411 1.840 20 30 CDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001316604703 942464705 /nfs/dbraw/zinc/46/47/05/942464705.db2.gz UJQJNAZCKNDWRN-HIFRSBDPSA-N 2 2 290.411 1.840 20 30 CDEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438436 942619986 /nfs/dbraw/zinc/61/99/86/942619986.db2.gz PFEVOEBDCRXOLG-CQSZACIVSA-N 2 2 290.411 1.818 20 30 CDEDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001232482597 943295927 /nfs/dbraw/zinc/29/59/27/943295927.db2.gz ZKAGKKBHZHSZRK-UHFFFAOYSA-N 2 2 293.374 1.979 20 30 CDEDLP C=C(CC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001263731168 943955527 /nfs/dbraw/zinc/95/55/27/943955527.db2.gz XGOSRKCSDYNZSA-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C=C(CC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001263731168 943955529 /nfs/dbraw/zinc/95/55/29/943955529.db2.gz XGOSRKCSDYNZSA-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235124689 944063676 /nfs/dbraw/zinc/06/36/76/944063676.db2.gz TWNGWJDTSNHASK-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235124689 944063683 /nfs/dbraw/zinc/06/36/83/944063683.db2.gz TWNGWJDTSNHASK-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235124689 944063690 /nfs/dbraw/zinc/06/36/90/944063690.db2.gz TWNGWJDTSNHASK-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235124689 944063694 /nfs/dbraw/zinc/06/36/94/944063694.db2.gz TWNGWJDTSNHASK-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC#N ZINC001277945221 944156343 /nfs/dbraw/zinc/15/63/43/944156343.db2.gz RBYAWKFDVIBFPO-GOOCMWNKSA-N 2 2 264.417 1.437 20 30 CDEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC#N ZINC001277945221 944156346 /nfs/dbraw/zinc/15/63/46/944156346.db2.gz RBYAWKFDVIBFPO-GOOCMWNKSA-N 2 2 264.417 1.437 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)c2c1 ZINC001235985019 944349813 /nfs/dbraw/zinc/34/98/13/944349813.db2.gz BTUGYQQEYUABFR-XJKSGUPXSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)c2c1 ZINC001235985019 944349820 /nfs/dbraw/zinc/34/98/20/944349820.db2.gz BTUGYQQEYUABFR-XJKSGUPXSA-N 2 2 266.348 1.963 20 30 CDEDLP C#C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702543664 944648413 /nfs/dbraw/zinc/64/84/13/944648413.db2.gz DHYNCEYSPDXHMN-ZBFHGGJFSA-N 2 2 258.365 1.235 20 30 CDEDLP C#C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702543664 944648417 /nfs/dbraw/zinc/64/84/17/944648417.db2.gz DHYNCEYSPDXHMN-ZBFHGGJFSA-N 2 2 258.365 1.235 20 30 CDEDLP C#C[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702543662 944648874 /nfs/dbraw/zinc/64/88/74/944648874.db2.gz DHYNCEYSPDXHMN-HOCLYGCPSA-N 2 2 258.365 1.235 20 30 CDEDLP C#C[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702543662 944648877 /nfs/dbraw/zinc/64/88/77/944648877.db2.gz DHYNCEYSPDXHMN-HOCLYGCPSA-N 2 2 258.365 1.235 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237415916 944765079 /nfs/dbraw/zinc/76/50/79/944765079.db2.gz PBAWOFNNNRJPAA-HIFRSBDPSA-N 2 2 271.364 1.838 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237415916 944765090 /nfs/dbraw/zinc/76/50/90/944765090.db2.gz PBAWOFNNNRJPAA-HIFRSBDPSA-N 2 2 271.364 1.838 20 30 CDEDLP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001256535683 948338856 /nfs/dbraw/zinc/33/88/56/948338856.db2.gz ADLZOTSQTXXJIM-BPQIPLTHSA-N 2 2 298.434 1.837 20 30 CDEDLP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256535683 948338866 /nfs/dbraw/zinc/33/88/66/948338866.db2.gz ADLZOTSQTXXJIM-BPQIPLTHSA-N 2 2 298.434 1.837 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246704248 948411222 /nfs/dbraw/zinc/41/12/22/948411222.db2.gz PXFWSGCXEFTQIM-INMHGKMJSA-N 2 2 291.439 1.627 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246704248 948411228 /nfs/dbraw/zinc/41/12/28/948411228.db2.gz PXFWSGCXEFTQIM-INMHGKMJSA-N 2 2 291.439 1.627 20 30 CDEDLP C#CC[NH+]1CCN([C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256922613 948458875 /nfs/dbraw/zinc/45/88/75/948458875.db2.gz MIGBGZOJYSCCKD-KRWDZBQOSA-N 2 2 275.440 1.644 20 30 CDEDLP C#CC[NH+]1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256922613 948458881 /nfs/dbraw/zinc/45/88/81/948458881.db2.gz MIGBGZOJYSCCKD-KRWDZBQOSA-N 2 2 275.440 1.644 20 30 CDEDLP C=C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001253605766 951990960 /nfs/dbraw/zinc/99/09/60/951990960.db2.gz WGPIKYYPEMFIFZ-IRXDYDNUSA-N 2 2 274.408 1.830 20 30 CDEDLP N#CC1(c2ccccc2)CC([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC001326472606 954394817 /nfs/dbraw/zinc/39/48/17/954394817.db2.gz DCYMEIVOGIOAEE-PCKAHOCUSA-N 2 2 255.365 1.937 20 30 CDEDLP C#CC[C@H](CCOC)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC001328716381 955436186 /nfs/dbraw/zinc/43/61/86/955436186.db2.gz JEDKPVZHWKBIMY-GFCCVEGCSA-N 2 2 281.425 1.723 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001419122893 961398536 /nfs/dbraw/zinc/39/85/36/961398536.db2.gz WXHRLVZXSJSDNP-ZDUSSCGKSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001419122893 961398553 /nfs/dbraw/zinc/39/85/53/961398553.db2.gz WXHRLVZXSJSDNP-ZDUSSCGKSA-N 2 2 299.846 1.756 20 30 CDEDLP C#CC[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001340017126 962688437 /nfs/dbraw/zinc/68/84/37/962688437.db2.gz AQDTUAJXKJCQNT-CQSZACIVSA-N 2 2 293.798 1.282 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001380283154 976332842 /nfs/dbraw/zinc/33/28/42/976332842.db2.gz YUVFEIGRVRZGKC-CYBMUJFWSA-N 2 2 296.802 1.606 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001392662306 977533641 /nfs/dbraw/zinc/53/36/41/977533641.db2.gz SZGFFWTWMSJFFR-GFCCVEGCSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001392662306 977533644 /nfs/dbraw/zinc/53/36/44/977533644.db2.gz SZGFFWTWMSJFFR-GFCCVEGCSA-N 2 2 287.835 1.660 20 30 CDEDLP C#CCOc1ccc(C[NH2+][C@H](C)[C@@H]2C[NH2+]CCO2)cc1 ZINC001573307402 1170652557 /nfs/dbraw/zinc/65/25/57/1170652557.db2.gz SNAVDOSKIROHNJ-CJNGLKHVSA-N 2 2 274.364 1.165 20 30 CDEDLP C#CC[N@@H+](C[C@H](O)c1cccc(C)c1)C1CC[NH2+]CC1 ZINC001574637344 1170997100 /nfs/dbraw/zinc/99/71/00/1170997100.db2.gz OCOZUGOWPJOUGK-KRWDZBQOSA-N 2 2 272.392 1.716 20 30 CDEDLP C#CC[N@H+](C[C@H](O)c1cccc(C)c1)C1CC[NH2+]CC1 ZINC001574637344 1170997105 /nfs/dbraw/zinc/99/71/05/1170997105.db2.gz OCOZUGOWPJOUGK-KRWDZBQOSA-N 2 2 272.392 1.716 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000590167138 342523860 /nfs/dbraw/zinc/52/38/60/342523860.db2.gz YUYOFKPSSAIYEZ-BPLDGKMQSA-N 2 2 290.411 1.093 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000590167138 342523861 /nfs/dbraw/zinc/52/38/61/342523861.db2.gz YUYOFKPSSAIYEZ-BPLDGKMQSA-N 2 2 290.411 1.093 20 30 CDEDLP C=CC[NH+](CCc1ccco1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351592610 361783791 /nfs/dbraw/zinc/78/37/91/361783791.db2.gz KUAVWLMRWJKDLG-HNNXBMFYSA-N 2 2 278.396 1.765 20 30 CDEDLP C=CC[N@@H+](CCc1ccco1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351592610 361783796 /nfs/dbraw/zinc/78/37/96/361783796.db2.gz KUAVWLMRWJKDLG-HNNXBMFYSA-N 2 2 278.396 1.765 20 30 CDEDLP C=CC[N@H+](CCc1ccco1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351592610 361783804 /nfs/dbraw/zinc/78/38/04/361783804.db2.gz KUAVWLMRWJKDLG-HNNXBMFYSA-N 2 2 278.396 1.765 20 30 CDEDLP Cc1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C#N)cn1 ZINC000591820195 342647531 /nfs/dbraw/zinc/64/75/31/342647531.db2.gz IDFMNTRCDFYJDK-OAHLLOKOSA-N 2 2 299.422 1.264 20 30 CDEDLP Cc1cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C#N)cn1 ZINC000591820195 342647532 /nfs/dbraw/zinc/64/75/32/342647532.db2.gz IDFMNTRCDFYJDK-OAHLLOKOSA-N 2 2 299.422 1.264 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331491721 362278537 /nfs/dbraw/zinc/27/85/37/362278537.db2.gz ASMATGRKDPCMDC-HOCLYGCPSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331491721 362278542 /nfs/dbraw/zinc/27/85/42/362278542.db2.gz ASMATGRKDPCMDC-HOCLYGCPSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331491721 362278548 /nfs/dbraw/zinc/27/85/48/362278548.db2.gz ASMATGRKDPCMDC-HOCLYGCPSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331491721 362278551 /nfs/dbraw/zinc/27/85/51/362278551.db2.gz ASMATGRKDPCMDC-HOCLYGCPSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602838142 344619969 /nfs/dbraw/zinc/61/99/69/344619969.db2.gz RJRCYDUMQCLJRL-CQSZACIVSA-N 2 2 277.412 1.865 20 30 CDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602838142 344619970 /nfs/dbraw/zinc/61/99/70/344619970.db2.gz RJRCYDUMQCLJRL-CQSZACIVSA-N 2 2 277.412 1.865 20 30 CDEDLP Cc1cc(C#N)ccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000614403644 348100847 /nfs/dbraw/zinc/10/08/47/348100847.db2.gz OEOBGTZOMZKRNL-UHFFFAOYSA-N 2 2 295.390 1.922 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000602458853 350110201 /nfs/dbraw/zinc/11/02/01/350110201.db2.gz QLALPQDZSRSMGC-OAHLLOKOSA-N 2 2 267.336 1.987 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000602458853 350110203 /nfs/dbraw/zinc/11/02/03/350110203.db2.gz QLALPQDZSRSMGC-OAHLLOKOSA-N 2 2 267.336 1.987 20 30 CDEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])NCC(C)C ZINC000264124252 362973572 /nfs/dbraw/zinc/97/35/72/362973572.db2.gz RXZMRWKVZGEJKO-UHFFFAOYSA-N 2 2 273.384 1.905 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621778175 350774849 /nfs/dbraw/zinc/77/48/49/350774849.db2.gz LTANWOUPZCUVOC-ZFWWWQNUSA-N 2 2 263.385 1.000 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621778175 350774851 /nfs/dbraw/zinc/77/48/51/350774851.db2.gz LTANWOUPZCUVOC-ZFWWWQNUSA-N 2 2 263.385 1.000 20 30 CDEDLP C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644636125 366282462 /nfs/dbraw/zinc/28/24/62/366282462.db2.gz VZMWFVUHPHHYRL-AWEZNQCLSA-N 2 2 293.455 1.873 20 30 CDEDLP C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644636125 366282472 /nfs/dbraw/zinc/28/24/72/366282472.db2.gz VZMWFVUHPHHYRL-AWEZNQCLSA-N 2 2 293.455 1.873 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150840726 358767344 /nfs/dbraw/zinc/76/73/44/358767344.db2.gz IOPRJVUIYBENBV-INIZCTEOSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150840726 358767346 /nfs/dbraw/zinc/76/73/46/358767346.db2.gz IOPRJVUIYBENBV-INIZCTEOSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCS(=O)(=O)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000272797634 359468106 /nfs/dbraw/zinc/46/81/06/359468106.db2.gz DGTKNOYFCJYCER-UHFFFAOYSA-N 2 2 279.365 1.025 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000337188316 360031810 /nfs/dbraw/zinc/03/18/10/360031810.db2.gz QGVJHXLYTABSLY-UONOGXRCSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000337188316 360031813 /nfs/dbraw/zinc/03/18/13/360031813.db2.gz QGVJHXLYTABSLY-UONOGXRCSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000337188316 360031818 /nfs/dbraw/zinc/03/18/18/360031818.db2.gz QGVJHXLYTABSLY-UONOGXRCSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000337188316 360031821 /nfs/dbraw/zinc/03/18/21/360031821.db2.gz QGVJHXLYTABSLY-UONOGXRCSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157180562 360781328 /nfs/dbraw/zinc/78/13/28/360781328.db2.gz DDIGBRGOLOFRQA-CABCVRRESA-N 2 2 279.428 1.627 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157180562 360781330 /nfs/dbraw/zinc/78/13/30/360781330.db2.gz DDIGBRGOLOFRQA-CABCVRRESA-N 2 2 279.428 1.627 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538343 360849486 /nfs/dbraw/zinc/84/94/86/360849486.db2.gz OXBPMNJBLCDSGQ-ZIAGYGMSSA-N 2 2 292.427 1.353 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538343 360849494 /nfs/dbraw/zinc/84/94/94/360849494.db2.gz OXBPMNJBLCDSGQ-ZIAGYGMSSA-N 2 2 292.427 1.353 20 30 CDEDLP COc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1C#N ZINC000087822598 361675086 /nfs/dbraw/zinc/67/50/86/361675086.db2.gz HNAXXYHVJYMUJC-UHFFFAOYSA-N 2 2 289.379 1.379 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000580419504 363906428 /nfs/dbraw/zinc/90/64/28/363906428.db2.gz OJYLEGABJQFEHB-ZDUSSCGKSA-N 2 2 270.311 1.998 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2snnc2C)CC1 ZINC000638524464 370737862 /nfs/dbraw/zinc/73/78/62/370737862.db2.gz OKVTXFHPWHOHFW-UHFFFAOYSA-N 2 2 266.414 1.977 20 30 CDEDLP C[NH+]1CCC([NH+]2CCC(Nc3ncccc3C#N)CC2)CC1 ZINC000299474495 373908929 /nfs/dbraw/zinc/90/89/29/373908929.db2.gz UWTQOIFSCRJTSD-UHFFFAOYSA-N 2 2 299.422 1.924 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419706652 376153023 /nfs/dbraw/zinc/15/30/23/376153023.db2.gz CYLADWATOQHLIK-OLZOCXBDSA-N 2 2 264.373 1.309 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000293903323 378601815 /nfs/dbraw/zinc/60/18/15/378601815.db2.gz FIOUKLYLOKLFGC-UHFFFAOYSA-N 2 2 270.336 1.019 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000293903323 378601820 /nfs/dbraw/zinc/60/18/20/378601820.db2.gz FIOUKLYLOKLFGC-UHFFFAOYSA-N 2 2 270.336 1.019 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)o1 ZINC000119519159 390461306 /nfs/dbraw/zinc/46/13/06/390461306.db2.gz JFNKYZVQPSDHRA-UHFFFAOYSA-N 2 2 288.395 1.365 20 30 CDEDLP Cc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+](C)CCC#N ZINC000414104171 391109121 /nfs/dbraw/zinc/10/91/21/391109121.db2.gz OCDMLSBQNOSKPG-CYBMUJFWSA-N 2 2 272.352 1.551 20 30 CDEDLP Cc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+](C)CCC#N ZINC000414104171 391109123 /nfs/dbraw/zinc/10/91/23/391109123.db2.gz OCDMLSBQNOSKPG-CYBMUJFWSA-N 2 2 272.352 1.551 20 30 CDEDLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421339539 392930632 /nfs/dbraw/zinc/93/06/32/392930632.db2.gz GRVIWCIPECTNRN-UHFFFAOYSA-N 2 2 291.370 1.634 20 30 CDEDLP Cc1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)c(C#N)c[nH+]1 ZINC000425264106 393008966 /nfs/dbraw/zinc/00/89/66/393008966.db2.gz VSRHBJZAXCUTDW-UHFFFAOYSA-N 2 2 287.411 1.122 20 30 CDEDLP Cc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c(C#N)c[nH+]1 ZINC000425264106 393008976 /nfs/dbraw/zinc/00/89/76/393008976.db2.gz VSRHBJZAXCUTDW-UHFFFAOYSA-N 2 2 287.411 1.122 20 30 CDEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000330891052 278356402 /nfs/dbraw/zinc/35/64/02/278356402.db2.gz WUSLXTKGSRZCCK-IUODEOHRSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000330891052 278356405 /nfs/dbraw/zinc/35/64/05/278356405.db2.gz WUSLXTKGSRZCCK-IUODEOHRSA-N 2 2 259.353 1.275 20 30 CDEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353429223 290037098 /nfs/dbraw/zinc/03/70/98/290037098.db2.gz TUEJTXNIZZZWJJ-WBVHZDCISA-N 2 2 284.407 1.381 20 30 CDEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353429223 290037101 /nfs/dbraw/zinc/03/71/01/290037101.db2.gz TUEJTXNIZZZWJJ-WBVHZDCISA-N 2 2 284.407 1.381 20 30 CDEDLP CC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267273036 328176800 /nfs/dbraw/zinc/17/68/00/328176800.db2.gz FJJARQLTQZNCNV-GFCCVEGCSA-N 2 2 280.391 1.960 20 30 CDEDLP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267273036 328176802 /nfs/dbraw/zinc/17/68/02/328176802.db2.gz FJJARQLTQZNCNV-GFCCVEGCSA-N 2 2 280.391 1.960 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000185815119 329329644 /nfs/dbraw/zinc/32/96/44/329329644.db2.gz NPUNATRCAYVOAU-UHFFFAOYSA-N 2 2 279.428 1.674 20 30 CDEDLP C=CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188273389 329367263 /nfs/dbraw/zinc/36/72/63/329367263.db2.gz WLIFCKZJWOHUAW-INIZCTEOSA-N 2 2 260.381 1.741 20 30 CDEDLP C=CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188273389 329367264 /nfs/dbraw/zinc/36/72/64/329367264.db2.gz WLIFCKZJWOHUAW-INIZCTEOSA-N 2 2 260.381 1.741 20 30 CDEDLP C=CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188273389 329367265 /nfs/dbraw/zinc/36/72/65/329367265.db2.gz WLIFCKZJWOHUAW-INIZCTEOSA-N 2 2 260.381 1.741 20 30 CDEDLP C=CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188273389 329367266 /nfs/dbraw/zinc/36/72/66/329367266.db2.gz WLIFCKZJWOHUAW-INIZCTEOSA-N 2 2 260.381 1.741 20 30 CDEDLP CC[N@H+](CCNC1=[NH+]CCN1C)CCC(F)(F)F ZINC000262477758 330016296 /nfs/dbraw/zinc/01/62/96/330016296.db2.gz CIRQPQYUKGGVNC-UHFFFAOYSA-N 2 2 266.311 1.152 20 30 CDEDLP CC[N@@H+](CCNC1=[NH+]CCN1C)CCC(F)(F)F ZINC000262477758 330016297 /nfs/dbraw/zinc/01/62/97/330016297.db2.gz CIRQPQYUKGGVNC-UHFFFAOYSA-N 2 2 266.311 1.152 20 30 CDEDLP CC[NH+]=C(NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)NC(C)C ZINC000262588801 330022526 /nfs/dbraw/zinc/02/25/26/330022526.db2.gz UCBISASGUAIAQE-KBPBESRZSA-N 2 2 298.475 1.838 20 30 CDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])NC(C)(C)C)C[C@@H](C)O1 ZINC000263258938 330050973 /nfs/dbraw/zinc/05/09/73/330050973.db2.gz RVUZOSGKKHHEJY-VXGBXAGGSA-N 2 2 284.448 1.577 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000424143162 330286937 /nfs/dbraw/zinc/28/69/37/330286937.db2.gz ZFNMYTMPUYTGES-GFCCVEGCSA-N 2 2 283.335 1.832 20 30 CDEDLP C=CC[C@H](CC)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000576220823 335172360 /nfs/dbraw/zinc/17/23/60/335172360.db2.gz AGSTZMPUHVCUCV-AJNGGQMLSA-N 2 2 270.417 1.401 20 30 CDEDLP C=CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163033811 334432758 /nfs/dbraw/zinc/43/27/58/334432758.db2.gz GUYPTFCDQLMCTL-UHFFFAOYSA-N 2 2 252.281 1.808 20 30 CDEDLP C=CCCn1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)nn1 ZINC000668172798 483105987 /nfs/dbraw/zinc/10/59/87/483105987.db2.gz UKMAHQDULNARTP-GOEBONIOSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nn1 ZINC000668172798 483105992 /nfs/dbraw/zinc/10/59/92/483105992.db2.gz UKMAHQDULNARTP-GOEBONIOSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)nn1 ZINC000668172798 483105997 /nfs/dbraw/zinc/10/59/97/483105997.db2.gz UKMAHQDULNARTP-GOEBONIOSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)nn1 ZINC000668172798 483106002 /nfs/dbraw/zinc/10/60/02/483106002.db2.gz UKMAHQDULNARTP-GOEBONIOSA-N 2 2 289.427 1.770 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000730284679 574910044 /nfs/dbraw/zinc/91/00/44/574910044.db2.gz QLRISMVILGJJTA-CABCVRRESA-N 2 2 286.379 1.144 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000730284679 574910045 /nfs/dbraw/zinc/91/00/45/574910045.db2.gz QLRISMVILGJJTA-CABCVRRESA-N 2 2 286.379 1.144 20 30 CDEDLP C=CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc(OC)c1O ZINC000733327413 575114898 /nfs/dbraw/zinc/11/48/98/575114898.db2.gz WDVABIPEZXVIHM-CQSZACIVSA-N 2 2 276.380 1.923 20 30 CDEDLP C=CCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc(OC)c1O ZINC000733327413 575114900 /nfs/dbraw/zinc/11/49/00/575114900.db2.gz WDVABIPEZXVIHM-CQSZACIVSA-N 2 2 276.380 1.923 20 30 CDEDLP CC#CCC[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000764981305 575971072 /nfs/dbraw/zinc/97/10/72/575971072.db2.gz SXIZMILNJUQVSP-UHFFFAOYSA-N 2 2 265.426 1.899 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000743320474 576632530 /nfs/dbraw/zinc/63/25/30/576632530.db2.gz RBYWCHRDOJZVNC-MRXNPFEDSA-N 2 2 291.439 1.418 20 30 CDEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000971777515 613079874 /nfs/dbraw/zinc/07/98/74/613079874.db2.gz DOGDOHXRLBZVOG-CQSZACIVSA-N 2 2 288.395 1.093 20 30 CDEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000971777515 613079876 /nfs/dbraw/zinc/07/98/76/613079876.db2.gz DOGDOHXRLBZVOG-CQSZACIVSA-N 2 2 288.395 1.093 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CC=C)C2)CC1 ZINC000957415998 613128377 /nfs/dbraw/zinc/12/83/77/613128377.db2.gz HMGHYKWHHWIZJA-UHFFFAOYSA-N 2 2 289.423 1.050 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723174 613289388 /nfs/dbraw/zinc/28/93/88/613289388.db2.gz HNWHMEIQRANZFU-ZDUSSCGKSA-N 2 2 276.384 1.071 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723174 613289390 /nfs/dbraw/zinc/28/93/90/613289390.db2.gz HNWHMEIQRANZFU-ZDUSSCGKSA-N 2 2 276.384 1.071 20 30 CDEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC000964462514 613347276 /nfs/dbraw/zinc/34/72/76/613347276.db2.gz CPTXMWRFUYPNPU-UHFFFAOYSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000981485044 613350872 /nfs/dbraw/zinc/35/08/72/613350872.db2.gz FYXLZLGENMNESA-KBPBESRZSA-N 2 2 290.411 1.854 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939211161 613386954 /nfs/dbraw/zinc/38/69/54/613386954.db2.gz QRAIFFCRORUJSR-CABZTGNLSA-N 2 2 282.775 1.141 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977647573 613543946 /nfs/dbraw/zinc/54/39/46/613543946.db2.gz OOPWMXHFWVNPIK-CYBMUJFWSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977647573 613543949 /nfs/dbraw/zinc/54/39/49/613543949.db2.gz OOPWMXHFWVNPIK-CYBMUJFWSA-N 2 2 276.384 1.286 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947979681 613578800 /nfs/dbraw/zinc/57/88/00/613578800.db2.gz KADIWUOANDLOOY-TZMCWYRMSA-N 2 2 288.395 1.253 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947979681 613578804 /nfs/dbraw/zinc/57/88/04/613578804.db2.gz KADIWUOANDLOOY-TZMCWYRMSA-N 2 2 288.395 1.253 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947976057 613743467 /nfs/dbraw/zinc/74/34/67/613743467.db2.gz SLOLLYDCBFFVPO-DGCLKSJQSA-N 2 2 276.384 1.416 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947976057 613743469 /nfs/dbraw/zinc/74/34/69/613743469.db2.gz SLOLLYDCBFFVPO-DGCLKSJQSA-N 2 2 276.384 1.416 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000970261971 613864291 /nfs/dbraw/zinc/86/42/91/613864291.db2.gz VBBKJLGSDJJTAK-CQSZACIVSA-N 2 2 298.390 1.562 20 30 CDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135008 1163578825 /nfs/dbraw/zinc/57/88/25/1163578825.db2.gz JSTXPABNSBPSST-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CC[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001753280110 1185140544 /nfs/dbraw/zinc/14/05/44/1185140544.db2.gz UFBNAYNRXJIWDZ-GFCCVEGCSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001753361080 1185168498 /nfs/dbraw/zinc/16/84/98/1185168498.db2.gz VYVXJAVYCJVTMA-CYBMUJFWSA-N 2 2 276.384 1.309 20 30 CDEDLP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001753361080 1185168500 /nfs/dbraw/zinc/16/85/00/1185168500.db2.gz VYVXJAVYCJVTMA-CYBMUJFWSA-N 2 2 276.384 1.309 20 30 CDEDLP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001755479310 1185963426 /nfs/dbraw/zinc/96/34/26/1185963426.db2.gz ISXZIAUFGIVUOY-IHRRRGAJSA-N 2 2 276.384 1.505 20 30 CDEDLP C#CC[NH2+]C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001755832713 1186083227 /nfs/dbraw/zinc/08/32/27/1186083227.db2.gz AZPQTYGGCXHXFK-OCCSQVGLSA-N 2 2 290.411 1.342 20 30 CDEDLP C#CC[NH2+]C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC001755832713 1186083231 /nfs/dbraw/zinc/08/32/31/1186083231.db2.gz AZPQTYGGCXHXFK-OCCSQVGLSA-N 2 2 290.411 1.342 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c(N(C)C)n2)C1 ZINC000884612137 736439186 /nfs/dbraw/zinc/43/91/86/736439186.db2.gz FFLFRNYQOXWQPP-GFCCVEGCSA-N 2 2 259.357 1.052 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(N(C)C)n2)C1 ZINC000884612137 736439193 /nfs/dbraw/zinc/43/91/93/736439193.db2.gz FFLFRNYQOXWQPP-GFCCVEGCSA-N 2 2 259.357 1.052 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993540117 736595840 /nfs/dbraw/zinc/59/58/40/736595840.db2.gz UIWGBBRRNXAIJL-CJNGLKHVSA-N 2 2 296.374 1.550 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993540117 736595844 /nfs/dbraw/zinc/59/58/44/736595844.db2.gz UIWGBBRRNXAIJL-CJNGLKHVSA-N 2 2 296.374 1.550 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000303777083 736645370 /nfs/dbraw/zinc/64/53/70/736645370.db2.gz IOSXTBWIJYQAKO-HNNXBMFYSA-N 2 2 296.459 1.604 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829441 736651217 /nfs/dbraw/zinc/65/12/17/736651217.db2.gz FSJVSJPYLDDZLF-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829441 736651220 /nfs/dbraw/zinc/65/12/20/736651220.db2.gz FSJVSJPYLDDZLF-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996161 736952880 /nfs/dbraw/zinc/95/28/80/736952880.db2.gz FKDCFGYVSOXTQC-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996161 736952886 /nfs/dbraw/zinc/95/28/86/736952886.db2.gz FKDCFGYVSOXTQC-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001044877913 736960177 /nfs/dbraw/zinc/96/01/77/736960177.db2.gz JHFXOAMHDNIEAT-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001042718942 737191722 /nfs/dbraw/zinc/19/17/22/737191722.db2.gz XREFKQTUNOPJRL-LSDHHAIUSA-N 2 2 291.439 1.580 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001042718942 737191723 /nfs/dbraw/zinc/19/17/23/737191723.db2.gz XREFKQTUNOPJRL-LSDHHAIUSA-N 2 2 291.439 1.580 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001030313397 737421353 /nfs/dbraw/zinc/42/13/53/737421353.db2.gz VTYNEAIDZZSKQT-UHFFFAOYSA-N 2 2 279.428 1.627 20 30 CDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992433294 737553943 /nfs/dbraw/zinc/55/39/43/737553943.db2.gz QSHGAVPBTSUCNV-ZBFHGGJFSA-N 2 2 288.395 1.262 20 30 CDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992433294 737553959 /nfs/dbraw/zinc/55/39/59/737553959.db2.gz QSHGAVPBTSUCNV-ZBFHGGJFSA-N 2 2 288.395 1.262 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001043735251 737722900 /nfs/dbraw/zinc/72/29/00/737722900.db2.gz ATSPNPIDEHWFDZ-UHFFFAOYSA-N 2 2 265.401 1.047 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989491423 737738674 /nfs/dbraw/zinc/73/86/74/737738674.db2.gz GKCPORUCFUACNC-DGCLKSJQSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001032433865 737800865 /nfs/dbraw/zinc/80/08/65/737800865.db2.gz UCDYPDOETFRIPT-KKUMJFAQSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001032433865 737800870 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289.423 1.168 20 30 CDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018307854 737890297 /nfs/dbraw/zinc/89/02/97/737890297.db2.gz ZMJGLDCINZDFOG-YHUYYLMFSA-N 2 2 289.423 1.168 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001027979982 737938737 /nfs/dbraw/zinc/93/87/37/737938737.db2.gz JYXMCHYSCYREID-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139666 738526182 /nfs/dbraw/zinc/52/61/82/738526182.db2.gz PYBSLMYKRQXWNS-CQSZACIVSA-N 2 2 298.390 1.211 20 30 CDEDLP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139666 738526191 /nfs/dbraw/zinc/52/61/91/738526191.db2.gz PYBSLMYKRQXWNS-CQSZACIVSA-N 2 2 298.390 1.211 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799218 738532325 /nfs/dbraw/zinc/53/23/25/738532325.db2.gz DAOHHMTYCMRYQC-HDJSIYSDSA-N 2 2 276.384 1.476 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 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C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099184598 936781609 /nfs/dbraw/zinc/78/16/09/936781609.db2.gz XAAIXNAPXVICTE-HOCLYGCPSA-N 2 2 288.395 1.430 20 30 CDEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099184598 936781610 /nfs/dbraw/zinc/78/16/10/936781610.db2.gz XAAIXNAPXVICTE-HOCLYGCPSA-N 2 2 288.395 1.430 20 30 CDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192576965 923153398 /nfs/dbraw/zinc/15/33/98/923153398.db2.gz BWFDFJNVPZFBCJ-GJZGRUSLSA-N 2 2 288.395 1.390 20 30 CDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192576965 923153403 /nfs/dbraw/zinc/15/34/03/923153403.db2.gz BWFDFJNVPZFBCJ-GJZGRUSLSA-N 2 2 288.395 1.390 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001085271543 925850296 /nfs/dbraw/zinc/85/02/96/925850296.db2.gz JCZCXASEVUKTRM-ZIAGYGMSSA-N 2 2 296.374 1.598 20 30 CDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201124901 926210543 /nfs/dbraw/zinc/21/05/43/926210543.db2.gz AVPFVCKAUYFHII-ZIAGYGMSSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201124901 926210554 /nfs/dbraw/zinc/21/05/54/926210554.db2.gz AVPFVCKAUYFHII-ZIAGYGMSSA-N 2 2 288.395 1.670 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673134 926274609 /nfs/dbraw/zinc/27/46/09/926274609.db2.gz QNYMHPOQMZBJMQ-CABCVRRESA-N 2 2 277.412 1.027 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673134 926274617 /nfs/dbraw/zinc/27/46/17/926274617.db2.gz QNYMHPOQMZBJMQ-CABCVRRESA-N 2 2 277.412 1.027 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085673134 926274619 /nfs/dbraw/zinc/27/46/19/926274619.db2.gz QNYMHPOQMZBJMQ-CABCVRRESA-N 2 2 277.412 1.027 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085673134 926274628 /nfs/dbraw/zinc/27/46/28/926274628.db2.gz QNYMHPOQMZBJMQ-CABCVRRESA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102925364 937097199 /nfs/dbraw/zinc/09/71/99/937097199.db2.gz RUTOCQVNEDYUAQ-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102925364 937097202 /nfs/dbraw/zinc/09/72/02/937097202.db2.gz RUTOCQVNEDYUAQ-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109770993 929037922 /nfs/dbraw/zinc/03/79/22/929037922.db2.gz JKEAKFLFNMBTGW-KBXIAJHMSA-N 2 2 286.379 1.189 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109770993 929037932 /nfs/dbraw/zinc/03/79/32/929037932.db2.gz JKEAKFLFNMBTGW-KBXIAJHMSA-N 2 2 286.379 1.189 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498836 929774327 /nfs/dbraw/zinc/77/43/27/929774327.db2.gz PNXRCNITGIFRSA-KGLIPLIRSA-N 2 2 278.400 1.895 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(CO)cc(C)[nH+]2)C1 ZINC000884611388 930607201 /nfs/dbraw/zinc/60/72/01/930607201.db2.gz KXQBLMANZGLYJS-AWEZNQCLSA-N 2 2 259.353 1.392 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(CO)cc(C)[nH+]2)C1 ZINC000884611388 930607206 /nfs/dbraw/zinc/60/72/06/930607206.db2.gz KXQBLMANZGLYJS-AWEZNQCLSA-N 2 2 259.353 1.392 20 30 CDEDLP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001245983505 930849957 /nfs/dbraw/zinc/84/99/57/930849957.db2.gz LCMQGXGBRTYJAB-ZJIFWQFVSA-N 2 2 282.428 1.450 20 30 CDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153391 931723386 /nfs/dbraw/zinc/72/33/86/931723386.db2.gz YARIVBSQWOETOG-ZDUSSCGKSA-N 2 2 278.400 1.793 20 30 CDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153391 931723389 /nfs/dbraw/zinc/72/33/89/931723389.db2.gz YARIVBSQWOETOG-ZDUSSCGKSA-N 2 2 278.400 1.793 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001091098410 931826471 /nfs/dbraw/zinc/82/64/71/931826471.db2.gz PJZWZWPUCJPRQN-UHFFFAOYSA-N 2 2 284.363 1.847 20 30 CDEDLP COC(=[NH2+])c1cccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)c1 ZINC001171258949 932171795 /nfs/dbraw/zinc/17/17/95/932171795.db2.gz REJHLNILMCJUQM-UHFFFAOYSA-N 2 2 296.330 1.794 20 30 CDEDLP Cc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)ccc1C#N ZINC001155058060 937628978 /nfs/dbraw/zinc/62/89/78/937628978.db2.gz SBNZWPIMTCDAEY-UHFFFAOYSA-N 2 2 267.336 1.914 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1csc(C(=O)OC)c1 ZINC000689094220 934773483 /nfs/dbraw/zinc/77/34/83/934773483.db2.gz OOSVLWPZEXJCEL-UHFFFAOYSA-N 2 2 280.393 1.579 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1csc(C(=O)OC)c1 ZINC000689094220 934773485 /nfs/dbraw/zinc/77/34/85/934773485.db2.gz OOSVLWPZEXJCEL-UHFFFAOYSA-N 2 2 280.393 1.579 20 30 CDEDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC001120590885 937815067 /nfs/dbraw/zinc/81/50/67/937815067.db2.gz RZENUQISPPXBJV-CJNGLKHVSA-N 2 2 273.380 1.523 20 30 CDEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC001120590885 937815069 /nfs/dbraw/zinc/81/50/69/937815069.db2.gz RZENUQISPPXBJV-CJNGLKHVSA-N 2 2 273.380 1.523 20 30 CDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001017632244 935645161 /nfs/dbraw/zinc/64/51/61/935645161.db2.gz FBXMGKNJNCGCQW-OAGGEKHMSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001017632244 935645164 /nfs/dbraw/zinc/64/51/64/935645164.db2.gz FBXMGKNJNCGCQW-OAGGEKHMSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001017632244 935645168 /nfs/dbraw/zinc/64/51/68/935645168.db2.gz FBXMGKNJNCGCQW-OAGGEKHMSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001017632244 935645170 /nfs/dbraw/zinc/64/51/70/935645170.db2.gz FBXMGKNJNCGCQW-OAGGEKHMSA-N 2 2 289.423 1.169 20 30 CDEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121834937 937884729 /nfs/dbraw/zinc/88/47/29/937884729.db2.gz DRAZIUUAADVDAY-UHFFFAOYSA-N 2 2 288.395 1.545 20 30 CDEDLP C=C(CC[NH+](C)C)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156897009 938430638 /nfs/dbraw/zinc/43/06/38/938430638.db2.gz GFVGGYCKFCGDQC-UHFFFAOYSA-N 2 2 276.384 1.413 20 30 CDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157885130 938557907 /nfs/dbraw/zinc/55/79/07/938557907.db2.gz PKAPKPNHUNIKDQ-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157885130 938557908 /nfs/dbraw/zinc/55/79/08/938557908.db2.gz PKAPKPNHUNIKDQ-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP CC(C)(S)CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001159267791 938716681 /nfs/dbraw/zinc/71/66/81/938716681.db2.gz FZSAANHHJNEGJJ-UHFFFAOYSA-N 2 2 266.414 1.612 20 30 CDEDLP C=CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C1CCCCC1 ZINC001161247806 938881896 /nfs/dbraw/zinc/88/18/96/938881896.db2.gz KZZMEUAZPPOWKV-UHFFFAOYSA-N 2 2 265.401 1.415 20 30 CDEDLP N#CC1(c2cc[nH+]c(NCC[C@H]3CCOC34C[NH2+]C4)c2)CC1 ZINC001163087612 939195690 /nfs/dbraw/zinc/19/56/90/939195690.db2.gz PVBGJDYRKINWOZ-ZDUSSCGKSA-N 2 2 298.390 1.817 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594001 939291309 /nfs/dbraw/zinc/29/13/09/939291309.db2.gz QOHZDIKOCUJZIH-CQSZACIVSA-N 2 2 278.400 1.724 20 30 CDEDLP C[NH+]1C[C@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)C[C@@H]2C1 ZINC001165147502 939518728 /nfs/dbraw/zinc/51/87/28/939518728.db2.gz FPTXIGTXFYZPNN-RYUDHWBXSA-N 2 2 267.336 1.432 20 30 CDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc[nH]2)CC1 ZINC001204009829 939721162 /nfs/dbraw/zinc/72/11/62/939721162.db2.gz CKZUNXIHEJNSEO-UHFFFAOYSA-N 2 2 288.439 1.806 20 30 CDEDLP C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733899 940633672 /nfs/dbraw/zinc/63/36/72/940633672.db2.gz VBHZXBHVBYQMPD-CYBMUJFWSA-N 2 2 290.367 1.371 20 30 CDEDLP C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733899 940633673 /nfs/dbraw/zinc/63/36/73/940633673.db2.gz VBHZXBHVBYQMPD-CYBMUJFWSA-N 2 2 290.367 1.371 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210847239 940716923 /nfs/dbraw/zinc/71/69/23/940716923.db2.gz MXFGFSWHGULIMQ-CYBMUJFWSA-N 2 2 276.384 1.417 20 30 CDEDLP Cc1cc(C#N)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)s1 ZINC001218554493 941236058 /nfs/dbraw/zinc/23/60/58/941236058.db2.gz KAKZCXFTIMLSHR-JTQLQIEISA-N 2 2 275.337 1.160 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230344141 942609740 /nfs/dbraw/zinc/60/97/40/942609740.db2.gz DUBJNIVZYOSOSP-HUUCEWRRSA-N 2 2 290.411 1.866 20 30 CDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1F ZINC001235994415 944360685 /nfs/dbraw/zinc/36/06/85/944360685.db2.gz MGJPBPKUIQJQQN-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1F ZINC001235994415 944360695 /nfs/dbraw/zinc/36/06/95/944360695.db2.gz MGJPBPKUIQJQQN-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP C=C1C[C@@H]2CC([NH2+][C@@H]3C[NH2+]CCOC3)C[C@H](C1)C2 ZINC001246093798 947943784 /nfs/dbraw/zinc/94/37/84/947943784.db2.gz QFYLESCADYXCGO-IZGVIRRGSA-N 2 2 250.386 1.699 20 30 CDEDLP N#CCC1CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246145015 947987485 /nfs/dbraw/zinc/98/74/85/947987485.db2.gz LITAGRAUCNAOAK-UYSNPLJNSA-N 3 2 290.455 1.923 20 30 CDEDLP C=CCN1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1=O ZINC001256070982 948194009 /nfs/dbraw/zinc/19/40/09/948194009.db2.gz KJTNSTXUZZLCMP-HNNXBMFYSA-N 2 2 277.412 1.380 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001253209330 951807249 /nfs/dbraw/zinc/80/72/49/951807249.db2.gz DXYCGMBMGIGTBT-RHSMWYFYSA-N 2 2 287.407 1.838 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001422935937 956460093 /nfs/dbraw/zinc/46/00/93/956460093.db2.gz MTKCVFZZPRIHSC-NSHDSACASA-N 2 2 284.791 1.381 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001422935937 956460098 /nfs/dbraw/zinc/46/00/98/956460098.db2.gz MTKCVFZZPRIHSC-NSHDSACASA-N 2 2 284.791 1.381 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC001340820503 963139286 /nfs/dbraw/zinc/13/92/86/963139286.db2.gz GOUAZWSMEAGVNL-ZDUSSCGKSA-N 2 2 264.373 1.463 20 30 CDEDLP C#CC[NH+]1CCC(OC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC001347400293 965509775 /nfs/dbraw/zinc/50/97/75/965509775.db2.gz FZZVAYDULRSGME-CYBMUJFWSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[NH+]1CCC(OC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC001347400293 965509781 /nfs/dbraw/zinc/50/97/81/965509781.db2.gz FZZVAYDULRSGME-CYBMUJFWSA-N 2 2 296.436 1.065 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001372527379 972999903 /nfs/dbraw/zinc/99/99/03/972999903.db2.gz VIQRARLMWHVMOP-CQSZACIVSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001372527379 972999913 /nfs/dbraw/zinc/99/99/13/972999913.db2.gz VIQRARLMWHVMOP-CQSZACIVSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001372527379 972999923 /nfs/dbraw/zinc/99/99/23/972999923.db2.gz VIQRARLMWHVMOP-CQSZACIVSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001372527379 972999929 /nfs/dbraw/zinc/99/99/29/972999929.db2.gz VIQRARLMWHVMOP-CQSZACIVSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001377342965 974982290 /nfs/dbraw/zinc/98/22/90/974982290.db2.gz ZQMPNSBJAYZDEM-UHFFFAOYSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001377342965 974982295 /nfs/dbraw/zinc/98/22/95/974982295.db2.gz ZQMPNSBJAYZDEM-UHFFFAOYSA-N 2 2 287.835 1.519 20 30 CDEDLP Cc1nc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589863361 342515907 /nfs/dbraw/zinc/51/59/07/342515907.db2.gz YENPKEOVRPHKLG-HNNXBMFYSA-N 2 2 299.422 1.264 20 30 CDEDLP Cc1nc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589863361 342515908 /nfs/dbraw/zinc/51/59/08/342515908.db2.gz YENPKEOVRPHKLG-HNNXBMFYSA-N 2 2 299.422 1.264 20 30 CDEDLP N#CCC[C@@H](C#N)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000591725342 342643148 /nfs/dbraw/zinc/64/31/48/342643148.db2.gz QXTDNPWRGJGTMR-ZDUSSCGKSA-N 2 2 271.368 1.795 20 30 CDEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759837 342644330 /nfs/dbraw/zinc/64/43/30/342644330.db2.gz ZHLQWOZUQWFPRM-OAHLLOKOSA-N 2 2 275.396 1.619 20 30 CDEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759837 342644331 /nfs/dbraw/zinc/64/43/31/342644331.db2.gz ZHLQWOZUQWFPRM-OAHLLOKOSA-N 2 2 275.396 1.619 20 30 CDEDLP C[NH+](C)[C@]1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCSC1 ZINC000442765950 362087725 /nfs/dbraw/zinc/08/77/25/362087725.db2.gz KHHZALSZDQJTTE-AGIUHOORSA-N 2 2 253.415 1.706 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000088696681 342386943 /nfs/dbraw/zinc/38/69/43/342386943.db2.gz GEFMDQHPPIYHGQ-RDJZCZTQSA-N 2 2 299.418 1.236 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000088696681 342386944 /nfs/dbraw/zinc/38/69/44/342386944.db2.gz GEFMDQHPPIYHGQ-RDJZCZTQSA-N 2 2 299.418 1.236 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000598597026 343841058 /nfs/dbraw/zinc/84/10/58/343841058.db2.gz CJIHENLHBJMJKM-ZDUSSCGKSA-N 2 2 276.384 1.890 20 30 CDEDLP C[C@H](CCC#N)C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000602430022 344423377 /nfs/dbraw/zinc/42/33/77/344423377.db2.gz HIPVSCTXYZQINW-CYBMUJFWSA-N 2 2 253.390 1.315 20 30 CDEDLP C[C@H](CCC#N)C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000602430022 344423378 /nfs/dbraw/zinc/42/33/78/344423378.db2.gz HIPVSCTXYZQINW-CYBMUJFWSA-N 2 2 253.390 1.315 20 30 CDEDLP C[N@@H+]1CC[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037500 179221854 /nfs/dbraw/zinc/22/18/54/179221854.db2.gz XSIVAVFMXNEAHU-QQFBHYJXSA-N 2 2 255.365 1.904 20 30 CDEDLP C[N@H+]1CC[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037500 179221855 /nfs/dbraw/zinc/22/18/55/179221855.db2.gz XSIVAVFMXNEAHU-QQFBHYJXSA-N 2 2 255.365 1.904 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000491676977 347586450 /nfs/dbraw/zinc/58/64/50/347586450.db2.gz PMKUGSPFKJXPII-HNNXBMFYSA-N 2 2 299.418 1.162 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000491676977 347586451 /nfs/dbraw/zinc/58/64/51/347586451.db2.gz PMKUGSPFKJXPII-HNNXBMFYSA-N 2 2 299.418 1.162 20 30 CDEDLP CCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000264064048 362955515 /nfs/dbraw/zinc/95/55/15/362955515.db2.gz AOGVHFAZFWKRTL-JTQLQIEISA-N 2 2 266.414 1.419 20 30 CDEDLP CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000264064048 362955520 /nfs/dbraw/zinc/95/55/20/362955520.db2.gz AOGVHFAZFWKRTL-JTQLQIEISA-N 2 2 266.414 1.419 20 30 CDEDLP CCCCNC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000264099794 362967047 /nfs/dbraw/zinc/96/70/47/362967047.db2.gz NSEDNITURVWSDT-UHFFFAOYSA-N 2 2 280.441 1.811 20 30 CDEDLP CCCCNC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000264099794 362967053 /nfs/dbraw/zinc/96/70/53/362967053.db2.gz NSEDNITURVWSDT-UHFFFAOYSA-N 2 2 280.441 1.811 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000271899454 191396186 /nfs/dbraw/zinc/39/61/86/191396186.db2.gz VHLBSWKVBGFYLI-UHFFFAOYSA-N 2 2 259.353 1.105 20 30 CDEDLP C=CCOCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000348027783 359776216 /nfs/dbraw/zinc/77/62/16/359776216.db2.gz GIYFYXLCTDVXNG-UHFFFAOYSA-N 2 2 264.373 1.135 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000135690909 359911699 /nfs/dbraw/zinc/91/16/99/359911699.db2.gz LMMLZMKCKPHBHR-NEPJUHHUSA-N 2 2 277.393 1.573 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000135690909 359911703 /nfs/dbraw/zinc/91/17/03/359911703.db2.gz LMMLZMKCKPHBHR-NEPJUHHUSA-N 2 2 277.393 1.573 20 30 CDEDLP C=C[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000570634697 363835824 /nfs/dbraw/zinc/83/58/24/363835824.db2.gz DXVPOSVDUIYOMJ-GDBMZVCRSA-N 2 2 287.407 1.448 20 30 CDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CCC#N)c2cc1C ZINC000304860160 370798559 /nfs/dbraw/zinc/79/85/59/370798559.db2.gz ZXRJTYDXPJMZPH-CQSZACIVSA-N 2 2 286.379 1.860 20 30 CDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CCC#N)c2cc1C ZINC000304860160 370798562 /nfs/dbraw/zinc/79/85/62/370798562.db2.gz ZXRJTYDXPJMZPH-CQSZACIVSA-N 2 2 286.379 1.860 20 30 CDEDLP COC(=O)CCC[NH+]1CCC([NH2+]CCCC#N)CC1 ZINC000361117572 368648444 /nfs/dbraw/zinc/64/84/44/368648444.db2.gz LQCJJTIHNKGIBR-UHFFFAOYSA-N 2 2 267.373 1.297 20 30 CDEDLP C=CCCC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578505614 372485147 /nfs/dbraw/zinc/48/51/47/372485147.db2.gz UXWRDPLVGVZTSB-OLZOCXBDSA-N 2 2 268.405 1.016 20 30 CDEDLP C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578505614 372485155 /nfs/dbraw/zinc/48/51/55/372485155.db2.gz UXWRDPLVGVZTSB-OLZOCXBDSA-N 2 2 268.405 1.016 20 30 CDEDLP C=CCCC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578505613 372485650 /nfs/dbraw/zinc/48/56/50/372485650.db2.gz UXWRDPLVGVZTSB-CHWSQXEVSA-N 2 2 268.405 1.016 20 30 CDEDLP C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578505613 372485654 /nfs/dbraw/zinc/48/56/54/372485654.db2.gz UXWRDPLVGVZTSB-CHWSQXEVSA-N 2 2 268.405 1.016 20 30 CDEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431939 284353464 /nfs/dbraw/zinc/35/34/64/284353464.db2.gz JKLWZYHQCRFGHZ-UONOGXRCSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431939 284353467 /nfs/dbraw/zinc/35/34/67/284353467.db2.gz JKLWZYHQCRFGHZ-UONOGXRCSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431939 284353470 /nfs/dbraw/zinc/35/34/70/284353470.db2.gz JKLWZYHQCRFGHZ-UONOGXRCSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431939 284353474 /nfs/dbraw/zinc/35/34/74/284353474.db2.gz JKLWZYHQCRFGHZ-UONOGXRCSA-N 2 2 292.427 1.211 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000282128883 378025507 /nfs/dbraw/zinc/02/55/07/378025507.db2.gz YMGXFTNTRSQASR-OLZOCXBDSA-N 2 2 274.368 1.376 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000282128883 378025512 /nfs/dbraw/zinc/02/55/12/378025512.db2.gz YMGXFTNTRSQASR-OLZOCXBDSA-N 2 2 274.368 1.376 20 30 CDEDLP C=C[C@H](CO)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000662168756 412917650 /nfs/dbraw/zinc/91/76/50/412917650.db2.gz SXKDJHUPJNSZKH-MRXNPFEDSA-N 2 2 289.423 1.335 20 30 CDEDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000447535647 390196469 /nfs/dbraw/zinc/19/64/69/390196469.db2.gz HMJXEISSBGJOAA-SJORKVTESA-N 2 2 286.423 1.845 20 30 CDEDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000447535647 390196472 /nfs/dbraw/zinc/19/64/72/390196472.db2.gz HMJXEISSBGJOAA-SJORKVTESA-N 2 2 286.423 1.845 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000104171626 390486183 /nfs/dbraw/zinc/48/61/83/390486183.db2.gz GLYREQXHYNMSKS-NSHDSACASA-N 2 2 289.383 1.435 20 30 CDEDLP Cn1c[nH+]cc1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000329548333 391011576 /nfs/dbraw/zinc/01/15/76/391011576.db2.gz BGNZOYFIZFBHBO-UHFFFAOYSA-N 2 2 262.357 1.751 20 30 CDEDLP CCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303773148 391132593 /nfs/dbraw/zinc/13/25/93/391132593.db2.gz FCEBFXMVYOOQGO-UHFFFAOYSA-N 2 2 258.329 1.082 20 30 CDEDLP C[NH+]=C(NCCc1cc[nH+]cc1C)NCc1ccco1 ZINC000269989832 391261788 /nfs/dbraw/zinc/26/17/88/391261788.db2.gz UJDXMNSLAHCOOU-UHFFFAOYSA-N 2 2 272.352 1.891 20 30 CDEDLP C=CC[C@H](CC)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000346181328 391335811 /nfs/dbraw/zinc/33/58/11/391335811.db2.gz SRTBZSUAXCPMRJ-AWEZNQCLSA-N 2 2 296.459 1.666 20 30 CDEDLP COCC[NH+](CCOC)C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411729701 391515715 /nfs/dbraw/zinc/51/57/15/391515715.db2.gz WYLZHSAMKQMHPN-OAHLLOKOSA-N 2 2 297.443 1.738 20 30 CDEDLP C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310869 391760554 /nfs/dbraw/zinc/76/05/54/391760554.db2.gz VTONKWKQWBUEPO-HNNXBMFYSA-N 2 2 293.455 1.826 20 30 CDEDLP C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310869 391760557 /nfs/dbraw/zinc/76/05/57/391760557.db2.gz VTONKWKQWBUEPO-HNNXBMFYSA-N 2 2 293.455 1.826 20 30 CDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@@H]1C ZINC000262686349 391812699 /nfs/dbraw/zinc/81/26/99/391812699.db2.gz AQRKBNSUMSGHQM-JQWIXIFHSA-N 2 2 261.373 1.293 20 30 CDEDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C#N)cc1 ZINC000423550792 392964550 /nfs/dbraw/zinc/96/45/50/392964550.db2.gz FXFLJIWBQPEQFR-HUUCEWRRSA-N 2 2 259.353 1.587 20 30 CDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](CCOC)CC2)nn1 ZINC000657330827 414178674 /nfs/dbraw/zinc/17/86/74/414178674.db2.gz CFWGFNGUAZGGMD-UHFFFAOYSA-N 2 2 293.415 1.055 20 30 CDEDLP Cc1[nH+]c2ccccc2n1CCCNC1=[NH+]C[C@@H](C)N1 ZINC000284948164 263088451 /nfs/dbraw/zinc/08/84/51/263088451.db2.gz DUFPMUGEDBOVDL-LLVKDONJSA-N 2 2 271.368 1.672 20 30 CDEDLP C=CCc1cc(C[NH2+][C@@H]2CC[NH2+]C2)cc(OC)c1O ZINC000414883614 263098507 /nfs/dbraw/zinc/09/85/07/263098507.db2.gz NPFPUHGVRQXPCH-CYBMUJFWSA-N 2 2 262.353 1.581 20 30 CDEDLP C=CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1Cl ZINC000415099544 263272156 /nfs/dbraw/zinc/27/21/56/263272156.db2.gz YQRTYLBZHHXIMQ-CYBMUJFWSA-N 2 2 296.798 1.983 20 30 CDEDLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000331319834 264188776 /nfs/dbraw/zinc/18/87/76/264188776.db2.gz KTQKHLUWYIGTJN-LBPRGKRZSA-N 2 2 293.415 1.544 20 30 CDEDLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000331319834 264188779 /nfs/dbraw/zinc/18/87/79/264188779.db2.gz KTQKHLUWYIGTJN-LBPRGKRZSA-N 2 2 293.415 1.544 20 30 CDEDLP C=CCOc1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089263 423914003 /nfs/dbraw/zinc/91/40/03/423914003.db2.gz CNVFMWXTBSQVSJ-AWEZNQCLSA-N 2 2 291.395 1.147 20 30 CDEDLP COCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185849222 329333462 /nfs/dbraw/zinc/33/34/62/329333462.db2.gz WYFVNWHRBQOXCA-KBPBESRZSA-N 2 2 253.390 1.627 20 30 CDEDLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185849222 329333463 /nfs/dbraw/zinc/33/34/63/329333463.db2.gz WYFVNWHRBQOXCA-KBPBESRZSA-N 2 2 253.390 1.627 20 30 CDEDLP C[C@@H]1C[NH+]=C(NCc2c(Cl)cccc2-n2cc[nH+]c2)N1 ZINC000263064917 330041730 /nfs/dbraw/zinc/04/17/30/330041730.db2.gz FZTQLLMCSHKEPL-SNVBAGLBSA-N 2 2 289.770 1.963 20 30 CDEDLP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449700615 330944802 /nfs/dbraw/zinc/94/48/02/330944802.db2.gz UPRPJSQMDVXCAH-KRWDZBQOSA-N 2 2 289.423 1.963 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc(NC2CC2)nc[nH+]1 ZINC000491473366 332217605 /nfs/dbraw/zinc/21/76/05/332217605.db2.gz CQVURRDLEAWPBC-UHFFFAOYSA-N 2 2 259.357 1.418 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1cc(NC2CC2)nc[nH+]1 ZINC000491473366 332217606 /nfs/dbraw/zinc/21/76/06/332217606.db2.gz CQVURRDLEAWPBC-UHFFFAOYSA-N 2 2 259.357 1.418 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc(NC2CC2)[nH+]cn1 ZINC000491473366 332217607 /nfs/dbraw/zinc/21/76/07/332217607.db2.gz CQVURRDLEAWPBC-UHFFFAOYSA-N 2 2 259.357 1.418 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1cc(NC2CC2)[nH+]cn1 ZINC000491473366 332217608 /nfs/dbraw/zinc/21/76/08/332217608.db2.gz CQVURRDLEAWPBC-UHFFFAOYSA-N 2 2 259.357 1.418 20 30 CDEDLP C#C[C@@H](C)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491692767 332289435 /nfs/dbraw/zinc/28/94/35/332289435.db2.gz JHEHCLLHSHSDOU-OAHLLOKOSA-N 2 2 272.392 1.972 20 30 CDEDLP C#C[C@@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491692767 332289436 /nfs/dbraw/zinc/28/94/36/332289436.db2.gz JHEHCLLHSHSDOU-OAHLLOKOSA-N 2 2 272.392 1.972 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000491750247 332326788 /nfs/dbraw/zinc/32/67/88/332326788.db2.gz WCRUMANVDRAKGO-ZDUSSCGKSA-N 2 2 261.369 1.696 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000491750247 332326789 /nfs/dbraw/zinc/32/67/89/332326789.db2.gz WCRUMANVDRAKGO-ZDUSSCGKSA-N 2 2 261.369 1.696 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000491806478 332359879 /nfs/dbraw/zinc/35/98/79/332359879.db2.gz REIDSHUMRBAYFY-UHFFFAOYSA-N 2 2 285.391 1.660 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1C ZINC001088631946 1160668639 /nfs/dbraw/zinc/66/86/39/1160668639.db2.gz OCTSJHFCOOCWNC-PMPSAXMXSA-N 2 2 291.439 1.319 20 30 CDEDLP C=CCCC[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001752912213 1161138394 /nfs/dbraw/zinc/13/83/94/1161138394.db2.gz ADRNPSSFKOBEPY-NSHDSACASA-N 2 2 264.373 1.321 20 30 CDEDLP C=C(C)C[NH2+][C@@H](CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001753487399 1185232308 /nfs/dbraw/zinc/23/23/08/1185232308.db2.gz GDBYGQNNMXBTET-NSHDSACASA-N 2 2 250.346 1.013 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000764145807 576782076 /nfs/dbraw/zinc/78/20/76/576782076.db2.gz ILQWIRFOJCKRBQ-UHFFFAOYSA-N 2 2 288.395 1.416 20 30 CDEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975051295 613280783 /nfs/dbraw/zinc/28/07/83/613280783.db2.gz ONQWTCLHGAOYDU-CQSZACIVSA-N 2 2 291.439 1.178 20 30 CDEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975051295 613280784 /nfs/dbraw/zinc/28/07/84/613280784.db2.gz ONQWTCLHGAOYDU-CQSZACIVSA-N 2 2 291.439 1.178 20 30 CDEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975051295 613280785 /nfs/dbraw/zinc/28/07/85/613280785.db2.gz ONQWTCLHGAOYDU-CQSZACIVSA-N 2 2 291.439 1.178 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975051295 613280786 /nfs/dbraw/zinc/28/07/86/613280786.db2.gz ONQWTCLHGAOYDU-CQSZACIVSA-N 2 2 291.439 1.178 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000972451468 613288678 /nfs/dbraw/zinc/28/86/78/613288678.db2.gz YWYWNMQCOLLDQN-CABCVRRESA-N 2 2 290.411 1.943 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000972451468 613288679 /nfs/dbraw/zinc/28/86/79/613288679.db2.gz YWYWNMQCOLLDQN-CABCVRRESA-N 2 2 290.411 1.943 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981416437 613347433 /nfs/dbraw/zinc/34/74/33/613347433.db2.gz GSFIMYCOBXNPKQ-CHWSQXEVSA-N 2 2 276.384 1.545 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000970610253 613348197 /nfs/dbraw/zinc/34/81/97/613348197.db2.gz WXLMQIAWLYJIKU-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000980409779 613368527 /nfs/dbraw/zinc/36/85/27/613368527.db2.gz VMCXLRKVCSJMPC-CYBMUJFWSA-N 2 2 296.802 1.477 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000980409779 613368528 /nfs/dbraw/zinc/36/85/28/613368528.db2.gz VMCXLRKVCSJMPC-CYBMUJFWSA-N 2 2 296.802 1.477 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969380348 613372274 /nfs/dbraw/zinc/37/22/74/613372274.db2.gz DMXYQMMBSBOWKH-WCQYABFASA-N 2 2 285.819 1.270 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969380348 613372275 /nfs/dbraw/zinc/37/22/75/613372275.db2.gz DMXYQMMBSBOWKH-WCQYABFASA-N 2 2 285.819 1.270 20 30 CDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000969889116 613485866 /nfs/dbraw/zinc/48/58/66/613485866.db2.gz SWRMCNLFOOYNNF-IACUBPJLSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000969889116 613485868 /nfs/dbraw/zinc/48/58/68/613485868.db2.gz SWRMCNLFOOYNNF-IACUBPJLSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947979649 613520947 /nfs/dbraw/zinc/52/09/47/613520947.db2.gz JMJZPBZMPKDLTK-TZMCWYRMSA-N 2 2 290.411 1.806 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947979649 613520950 /nfs/dbraw/zinc/52/09/50/613520950.db2.gz JMJZPBZMPKDLTK-TZMCWYRMSA-N 2 2 290.411 1.806 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982049143 613689486 /nfs/dbraw/zinc/68/94/86/613689486.db2.gz JIOOXSMMIZRXLL-CQSZACIVSA-N 2 2 276.384 1.555 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982049143 613689487 /nfs/dbraw/zinc/68/94/87/613689487.db2.gz JIOOXSMMIZRXLL-CQSZACIVSA-N 2 2 276.384 1.555 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957768111 613707514 /nfs/dbraw/zinc/70/75/14/613707514.db2.gz SSRGOURLQLWDAE-UHFFFAOYSA-N 2 2 265.401 1.193 20 30 CDEDLP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981355007 613871642 /nfs/dbraw/zinc/87/16/42/613871642.db2.gz WMICWKWEFIYNCA-NWDGAFQWSA-N 2 2 262.357 1.155 20 30 CDEDLP C[C@@]1(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CCC[NH2+]C1 ZINC000904384319 626277879 /nfs/dbraw/zinc/27/78/79/626277879.db2.gz IOMXGLFVWZHXEP-QGZVFWFLSA-N 2 2 299.422 1.465 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3n2CCOC3)CC1 ZINC000921702521 633213218 /nfs/dbraw/zinc/21/32/18/633213218.db2.gz KIJXWUQAAHELKH-UHFFFAOYSA-N 2 2 290.411 1.543 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471359 1162521511 /nfs/dbraw/zinc/52/15/11/1162521511.db2.gz BJFMKTHYWWEGRR-ZDUSSCGKSA-N 2 2 276.384 1.240 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1C ZINC001088631946 1160668626 /nfs/dbraw/zinc/66/86/26/1160668626.db2.gz OCTSJHFCOOCWNC-PMPSAXMXSA-N 2 2 291.439 1.319 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1C ZINC001088631946 1160668630 /nfs/dbraw/zinc/66/86/30/1160668630.db2.gz OCTSJHFCOOCWNC-PMPSAXMXSA-N 2 2 291.439 1.319 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1C ZINC001088631946 1160668635 /nfs/dbraw/zinc/66/86/35/1160668635.db2.gz OCTSJHFCOOCWNC-PMPSAXMXSA-N 2 2 291.439 1.319 20 30 CDEDLP C=CC[NH+]1CCC(N(CCC)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001752440535 1184862029 /nfs/dbraw/zinc/86/20/29/1184862029.db2.gz YSKNVXDXDMXKAR-UHFFFAOYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001753055499 1185024282 /nfs/dbraw/zinc/02/42/82/1185024282.db2.gz HRIJJYRHHFYALV-ZDUSSCGKSA-N 2 2 276.384 1.070 20 30 CDEDLP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001753055499 1185024286 /nfs/dbraw/zinc/02/42/86/1185024286.db2.gz HRIJJYRHHFYALV-ZDUSSCGKSA-N 2 2 276.384 1.070 20 30 CDEDLP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001753477125 1185227711 /nfs/dbraw/zinc/22/77/11/1185227711.db2.gz LUWOECIPBBROMA-STQMWFEESA-N 2 2 276.384 1.116 20 30 CDEDLP C=C(C)CC[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001753842031 1185353700 /nfs/dbraw/zinc/35/37/00/1185353700.db2.gz HZUHWZUQHYFFKW-CYBMUJFWSA-N 2 2 278.400 1.649 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001755677242 1186034021 /nfs/dbraw/zinc/03/40/21/1186034021.db2.gz WMPJWCAHNCDEGN-ZFWWWQNUSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001755677242 1186034025 /nfs/dbraw/zinc/03/40/25/1186034025.db2.gz WMPJWCAHNCDEGN-ZFWWWQNUSA-N 2 2 290.411 1.888 20 30 CDEDLP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001755832712 1186083759 /nfs/dbraw/zinc/08/37/59/1186083759.db2.gz AZPQTYGGCXHXFK-JSGCOSHPSA-N 2 2 290.411 1.342 20 30 CDEDLP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC001755832712 1186083762 /nfs/dbraw/zinc/08/37/62/1186083762.db2.gz AZPQTYGGCXHXFK-JSGCOSHPSA-N 2 2 290.411 1.342 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000544262 742707085 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CC1(C)[NH2+]CC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925892655 740530611 /nfs/dbraw/zinc/53/06/11/740530611.db2.gz DEBUADVJWKFSGC-GFCCVEGCSA-N 2 2 259.357 1.095 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001036275978 740559665 /nfs/dbraw/zinc/55/96/65/740559665.db2.gz PYDPELSUJKPYFF-JSGCOSHPSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072121793 740688032 /nfs/dbraw/zinc/68/80/32/740688032.db2.gz BJKGGRXRVHVBRA-OLZOCXBDSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072121793 740688038 /nfs/dbraw/zinc/68/80/38/740688038.db2.gz BJKGGRXRVHVBRA-OLZOCXBDSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001054798226 740728921 /nfs/dbraw/zinc/72/89/21/740728921.db2.gz RJNBWWJUDPCLAX-XHDPSFHLSA-N 2 2 284.363 1.799 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049519312 740850362 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30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003622884 741855441 /nfs/dbraw/zinc/85/54/41/741855441.db2.gz AZUYSHHCNMUROF-CYBMUJFWSA-N 2 2 299.846 1.804 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027979983 741951384 /nfs/dbraw/zinc/95/13/84/741951384.db2.gz JYXMCHYSCYREID-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027979983 741951392 /nfs/dbraw/zinc/95/13/92/741951392.db2.gz JYXMCHYSCYREID-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001016947772 742064552 /nfs/dbraw/zinc/06/45/52/742064552.db2.gz NEDWEYHPOKGKNN-AWEZNQCLSA-N 2 2 288.395 1.417 20 30 CDEDLP COC(=O)CCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000844764390 742071188 /nfs/dbraw/zinc/07/11/88/742071188.db2.gz LGZNBJORCCCJRX-UHFFFAOYSA-N 2 2 293.367 1.338 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995737375 742075472 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20 30 CDEDLP C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852009154 739799670 /nfs/dbraw/zinc/79/96/70/739799670.db2.gz KDDHQYRRNALLLO-GJZGRUSLSA-N 2 2 281.400 1.102 20 30 CDEDLP C[C@@H](C#N)OCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852009154 739799673 /nfs/dbraw/zinc/79/96/73/739799673.db2.gz KDDHQYRRNALLLO-GJZGRUSLSA-N 2 2 281.400 1.102 20 30 CDEDLP C#C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000848909933 739905683 /nfs/dbraw/zinc/90/56/83/739905683.db2.gz DPECOXMUVQKDPU-HZPDHXFCSA-N 2 2 264.413 1.877 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(COC)o1 ZINC000382639115 739920945 /nfs/dbraw/zinc/92/09/45/739920945.db2.gz NTDBQRSSCKRZGK-UHFFFAOYSA-N 2 2 250.342 1.471 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(COC)o1 ZINC000382639115 739920949 /nfs/dbraw/zinc/92/09/49/739920949.db2.gz NTDBQRSSCKRZGK-UHFFFAOYSA-N 2 2 250.342 1.471 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994405942 740342692 /nfs/dbraw/zinc/34/26/92/740342692.db2.gz JFNDBNOGANYALG-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994405942 740342698 /nfs/dbraw/zinc/34/26/98/740342698.db2.gz JFNDBNOGANYALG-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001044128647 740965016 /nfs/dbraw/zinc/96/50/16/740965016.db2.gz YWSGEWYCXXMRCM-UHFFFAOYSA-N 2 2 293.455 1.826 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999414397 741081473 /nfs/dbraw/zinc/08/14/73/741081473.db2.gz VRQWKCBAPOUGOO-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000999414397 741081479 /nfs/dbraw/zinc/08/14/79/741081479.db2.gz VRQWKCBAPOUGOO-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989675405 741092332 /nfs/dbraw/zinc/09/23/32/741092332.db2.gz HHLSPDAGXCLVHM-VXGBXAGGSA-N 2 2 296.802 1.294 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703909 741200317 /nfs/dbraw/zinc/20/03/17/741200317.db2.gz KMZKSLIQUCPSMF-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703909 741200320 /nfs/dbraw/zinc/20/03/20/741200320.db2.gz KMZKSLIQUCPSMF-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP CC[C@@H]1CN(C(NCC[NH+]2CCC2)=[NH+]C)CCS1 ZINC000261935822 741255125 /nfs/dbraw/zinc/25/51/25/741255125.db2.gz MAIKBIGKSYXJED-GFCCVEGCSA-N 2 2 270.446 1.095 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796615 741360965 /nfs/dbraw/zinc/36/09/65/741360965.db2.gz CMTXXUYNQYWIPC-STQMWFEESA-N 2 2 288.395 1.454 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796615 741360967 /nfs/dbraw/zinc/36/09/67/741360967.db2.gz CMTXXUYNQYWIPC-STQMWFEESA-N 2 2 288.395 1.454 20 30 CDEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001030532270 741561628 /nfs/dbraw/zinc/56/16/28/741561628.db2.gz KIYOCPVEEPVSPG-CQSZACIVSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001030532270 741561640 /nfs/dbraw/zinc/56/16/40/741561640.db2.gz KIYOCPVEEPVSPG-CQSZACIVSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749245 741570214 /nfs/dbraw/zinc/57/02/14/741570214.db2.gz SWQCQQYQJUTJCO-AWEZNQCLSA-N 2 2 290.411 1.889 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749245 741570217 /nfs/dbraw/zinc/57/02/17/741570217.db2.gz SWQCQQYQJUTJCO-AWEZNQCLSA-N 2 2 290.411 1.889 20 30 CDEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCS[C@@H](C(C)C)C1 ZINC000261711835 741721214 /nfs/dbraw/zinc/72/12/14/741721214.db2.gz HIVZLWHICYIHOS-CQSZACIVSA-N 2 2 298.500 1.731 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001042748417 741735943 /nfs/dbraw/zinc/73/59/43/741735943.db2.gz FBKOENBMXOMERC-UONOGXRCSA-N 2 2 265.401 1.045 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001042748417 741735959 /nfs/dbraw/zinc/73/59/59/741735959.db2.gz FBKOENBMXOMERC-UONOGXRCSA-N 2 2 265.401 1.045 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391268 741992729 /nfs/dbraw/zinc/99/27/29/741992729.db2.gz QFMQRWKOHWVXED-CQSZACIVSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391268 741992738 /nfs/dbraw/zinc/99/27/38/741992738.db2.gz QFMQRWKOHWVXED-CQSZACIVSA-N 2 2 299.846 1.613 20 30 CDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034253339 742053156 /nfs/dbraw/zinc/05/31/56/742053156.db2.gz HQBXSNQQSKTFAW-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034253339 742053165 /nfs/dbraw/zinc/05/31/65/742053165.db2.gz HQBXSNQQSKTFAW-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001017942925 742285515 /nfs/dbraw/zinc/28/55/15/742285515.db2.gz VOWJBJXANZLLBI-SOUVJXGZSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001017942925 742285540 /nfs/dbraw/zinc/28/55/40/742285540.db2.gz VOWJBJXANZLLBI-SOUVJXGZSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001017942925 742285551 /nfs/dbraw/zinc/28/55/51/742285551.db2.gz VOWJBJXANZLLBI-SOUVJXGZSA-N 2 2 277.412 1.332 20 30 CDEDLP C[C@H](C#N)OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000805753629 742362307 /nfs/dbraw/zinc/36/23/07/742362307.db2.gz HPXMVRCJUGYAOP-TZMCWYRMSA-N 2 2 261.325 1.463 20 30 CDEDLP C[C@H](C#N)OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000805753629 742362315 /nfs/dbraw/zinc/36/23/15/742362315.db2.gz HPXMVRCJUGYAOP-TZMCWYRMSA-N 2 2 261.325 1.463 20 30 CDEDLP C[C@@H]1OCC[C@@H]1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000871735305 742503959 /nfs/dbraw/zinc/50/39/59/742503959.db2.gz OPEKAYNJWSESIN-SWLSCSKDSA-N 2 2 291.395 1.810 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040421147 742744315 /nfs/dbraw/zinc/74/43/15/742744315.db2.gz FSCZMGIRHUZCJM-MRXNPFEDSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040421147 742744324 /nfs/dbraw/zinc/74/43/24/742744324.db2.gz FSCZMGIRHUZCJM-MRXNPFEDSA-N 2 2 288.395 1.453 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028633103 742777887 /nfs/dbraw/zinc/77/78/87/742777887.db2.gz XRJIOWSRLZPESR-LBPRGKRZSA-N 2 2 282.347 1.248 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028633103 742777895 /nfs/dbraw/zinc/77/78/95/742777895.db2.gz XRJIOWSRLZPESR-LBPRGKRZSA-N 2 2 282.347 1.248 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(OC)cc(F)cc1OC ZINC000883131269 742817447 /nfs/dbraw/zinc/81/74/47/742817447.db2.gz SYUBDFGFHPCMFM-UHFFFAOYSA-N 2 2 294.370 1.888 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(OC)cc(F)cc1OC ZINC000883131269 742817448 /nfs/dbraw/zinc/81/74/48/742817448.db2.gz SYUBDFGFHPCMFM-UHFFFAOYSA-N 2 2 294.370 1.888 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514551 742827585 /nfs/dbraw/zinc/82/75/85/742827585.db2.gz MQKJUMPNIBNPJW-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514551 742827586 /nfs/dbraw/zinc/82/75/86/742827586.db2.gz MQKJUMPNIBNPJW-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc2c1OCC2 ZINC000693126356 895166067 /nfs/dbraw/zinc/16/60/67/895166067.db2.gz YCTHGAKNWNZNFE-UHFFFAOYSA-N 2 2 258.365 1.666 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc2c1OCC2 ZINC000693126356 895166072 /nfs/dbraw/zinc/16/60/72/895166072.db2.gz YCTHGAKNWNZNFE-UHFFFAOYSA-N 2 2 258.365 1.666 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994502222 914574931 /nfs/dbraw/zinc/57/49/31/914574931.db2.gz CTSFLGGCBPGQIF-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994502222 914574946 /nfs/dbraw/zinc/57/49/46/914574946.db2.gz CTSFLGGCBPGQIF-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1CC ZINC001087810847 905864023 /nfs/dbraw/zinc/86/40/23/905864023.db2.gz OZQYQWBUPOUZBH-DZGCQCFKSA-N 2 2 290.411 1.806 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1CC ZINC001087810847 905864036 /nfs/dbraw/zinc/86/40/36/905864036.db2.gz OZQYQWBUPOUZBH-DZGCQCFKSA-N 2 2 290.411 1.806 20 30 CDEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001172311337 911555143 /nfs/dbraw/zinc/55/51/43/911555143.db2.gz BSIIVMHYIMAKLQ-OAHLLOKOSA-N 2 2 298.434 1.421 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849086 911938597 /nfs/dbraw/zinc/93/85/97/911938597.db2.gz DHPBGIGMDQXWHN-AGIUHOORSA-N 2 2 288.395 1.595 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849086 911938607 /nfs/dbraw/zinc/93/86/07/911938607.db2.gz DHPBGIGMDQXWHN-AGIUHOORSA-N 2 2 288.395 1.595 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617677 915910419 /nfs/dbraw/zinc/91/04/19/915910419.db2.gz LCQFQSHKZCZORC-JSGCOSHPSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182203675 917709908 /nfs/dbraw/zinc/70/99/08/917709908.db2.gz FWSOIKKXSZAXHV-UONOGXRCSA-N 2 2 290.411 1.888 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184535196 919175958 /nfs/dbraw/zinc/17/59/58/919175958.db2.gz RJKRGRATTHDRBU-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184535196 919175968 /nfs/dbraw/zinc/17/59/68/919175968.db2.gz RJKRGRATTHDRBU-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[NH+](CC#C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139260019 936611902 /nfs/dbraw/zinc/61/19/02/936611902.db2.gz HUTPFQOKDZFRDW-UHFFFAOYSA-N 2 2 286.375 1.531 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2nccc(C#N)c2Cl)CC1 ZINC001168737373 921897536 /nfs/dbraw/zinc/89/75/36/921897536.db2.gz ZWJOFFBIWLSYMW-UHFFFAOYSA-N 2 2 278.747 1.201 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190474390 922022203 /nfs/dbraw/zinc/02/22/03/922022203.db2.gz XBXYWIVOTBXJIE-LSDHHAIUSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190474390 922022222 /nfs/dbraw/zinc/02/22/22/922022222.db2.gz XBXYWIVOTBXJIE-LSDHHAIUSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991554 924461407 /nfs/dbraw/zinc/46/14/07/924461407.db2.gz LTBSTLTYKORRPF-HZSPNIEDSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991554 924461412 /nfs/dbraw/zinc/46/14/12/924461412.db2.gz LTBSTLTYKORRPF-HZSPNIEDSA-N 2 2 288.395 1.068 20 30 CDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001104132895 937191091 /nfs/dbraw/zinc/19/10/91/937191091.db2.gz GKLCVJYETBHBMK-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135072064 930034415 /nfs/dbraw/zinc/03/44/15/930034415.db2.gz OFVIPNZANXOMAN-GFCCVEGCSA-N 2 2 264.373 1.260 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135072064 930034424 /nfs/dbraw/zinc/03/44/24/930034424.db2.gz OFVIPNZANXOMAN-GFCCVEGCSA-N 2 2 264.373 1.260 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944742 930552772 /nfs/dbraw/zinc/55/27/72/930552772.db2.gz OWUYPGNHHXVFAX-NEPJUHHUSA-N 2 2 298.818 1.588 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315115 937529919 /nfs/dbraw/zinc/52/99/19/937529919.db2.gz OMUNDUYAGMERTI-CYBMUJFWSA-N 2 2 286.379 1.961 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315115 937529921 /nfs/dbraw/zinc/52/99/21/937529921.db2.gz OMUNDUYAGMERTI-CYBMUJFWSA-N 2 2 286.379 1.961 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(Cl)nc(OC)n1C ZINC001119345042 937711794 /nfs/dbraw/zinc/71/17/94/937711794.db2.gz FCQZFMLIPJGADJ-UHFFFAOYSA-N 2 2 284.791 1.127 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(Cl)nc(OC)n1C ZINC001119345042 937711796 /nfs/dbraw/zinc/71/17/96/937711796.db2.gz FCQZFMLIPJGADJ-UHFFFAOYSA-N 2 2 284.791 1.127 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114901893 935314408 /nfs/dbraw/zinc/31/44/08/935314408.db2.gz STJMPRPUAZVRGV-NYTXWWLZSA-N 2 2 288.395 1.457 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114901893 935314415 /nfs/dbraw/zinc/31/44/15/935314415.db2.gz STJMPRPUAZVRGV-NYTXWWLZSA-N 2 2 288.395 1.457 20 30 CDEDLP N#Cc1ccccc1CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001156786963 938418584 /nfs/dbraw/zinc/41/85/84/938418584.db2.gz RTHHCSPFIAIFSY-UHFFFAOYSA-N 2 2 293.374 1.975 20 30 CDEDLP N#CCC1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206674737 938887737 /nfs/dbraw/zinc/88/77/37/938887737.db2.gz VCCQKVMCQUGEIF-UHFFFAOYSA-N 2 2 285.391 1.864 20 30 CDEDLP CC1(C)C[NH2+]C[C@H](CNc2cc(CC#N)cc[nH+]2)O1 ZINC001161956135 938948366 /nfs/dbraw/zinc/94/83/66/938948366.db2.gz KUMZUJNXZSXIHX-GFCCVEGCSA-N 2 2 260.341 1.327 20 30 CDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210052789 940659230 /nfs/dbraw/zinc/65/92/30/940659230.db2.gz QISHKNCDRCJMEG-KBPBESRZSA-N 2 2 288.395 1.192 20 30 CDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210052789 940659231 /nfs/dbraw/zinc/65/92/31/940659231.db2.gz QISHKNCDRCJMEG-KBPBESRZSA-N 2 2 288.395 1.192 20 30 CDEDLP C#Cc1cc(Nc2cnn(C3CC[NH+](C)CC3)c2)cc[nH+]1 ZINC001210752386 940710240 /nfs/dbraw/zinc/71/02/40/940710240.db2.gz SPOPEMATBWSSRW-UHFFFAOYSA-N 2 2 281.363 1.692 20 30 CDEDLP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000402192004 940890588 /nfs/dbraw/zinc/89/05/88/940890588.db2.gz BBKMWHXSOZGPOJ-KCXAZCMYSA-N 2 2 273.380 1.651 20 30 CDEDLP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000402192004 940890589 /nfs/dbraw/zinc/89/05/89/940890589.db2.gz BBKMWHXSOZGPOJ-KCXAZCMYSA-N 2 2 273.380 1.651 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215709571 940903826 /nfs/dbraw/zinc/90/38/26/940903826.db2.gz AVJQRCACOKZGRD-RBSFLKMASA-N 2 2 290.411 1.847 20 30 CDEDLP N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414582 944764288 /nfs/dbraw/zinc/76/42/88/944764288.db2.gz LPZNAOYVCLHXAJ-UKRRQHHQSA-N 2 2 271.364 1.838 20 30 CDEDLP N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414582 944764289 /nfs/dbraw/zinc/76/42/89/944764289.db2.gz LPZNAOYVCLHXAJ-UKRRQHHQSA-N 2 2 271.364 1.838 20 30 CDEDLP N#Cc1cc(-c2cc[nH+]c(N)c2)cc(C2C[NH2+]C2)c1 ZINC001240350761 945799723 /nfs/dbraw/zinc/79/97/23/945799723.db2.gz FZQIIDKUILDJAH-UHFFFAOYSA-N 2 2 250.305 1.889 20 30 CDEDLP C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246063071 947922069 /nfs/dbraw/zinc/92/20/69/947922069.db2.gz HHRHXJLKNUNLIW-LSDHHAIUSA-N 2 2 282.428 1.533 20 30 CDEDLP C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246063071 947922074 /nfs/dbraw/zinc/92/20/74/947922074.db2.gz HHRHXJLKNUNLIW-LSDHHAIUSA-N 2 2 282.428 1.533 20 30 CDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246766061 948430592 /nfs/dbraw/zinc/43/05/92/948430592.db2.gz JQPQZVYMOVEMTB-PMPSAXMXSA-N 2 2 280.412 1.565 20 30 CDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246766061 948430594 /nfs/dbraw/zinc/43/05/94/948430594.db2.gz JQPQZVYMOVEMTB-PMPSAXMXSA-N 2 2 280.412 1.565 20 30 CDEDLP CC(C)C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)NO ZINC001257213770 948549158 /nfs/dbraw/zinc/54/91/58/948549158.db2.gz UMSWEGBOYPKUSB-ZDUSSCGKSA-N 2 2 271.405 1.369 20 30 CDEDLP C=CCOC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001252470084 951318101 /nfs/dbraw/zinc/31/81/01/951318101.db2.gz HJROGWXVZLLOFS-AWEZNQCLSA-N 2 2 265.357 1.084 20 30 CDEDLP C=CCOC[C@@H](O)C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252472708 951329329 /nfs/dbraw/zinc/32/93/29/951329329.db2.gz XWGSYZYUYGIUFO-HNNXBMFYSA-N 2 2 270.417 1.355 20 30 CDEDLP C=CCOC[C@@H](O)C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252472708 951329343 /nfs/dbraw/zinc/32/93/43/951329343.db2.gz XWGSYZYUYGIUFO-HNNXBMFYSA-N 2 2 270.417 1.355 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001445799147 966341821 /nfs/dbraw/zinc/34/18/21/966341821.db2.gz ZGUSZGZFBDKKLV-NWDGAFQWSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001445799147 966341831 /nfs/dbraw/zinc/34/18/31/966341831.db2.gz ZGUSZGZFBDKKLV-NWDGAFQWSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001445799147 966341839 /nfs/dbraw/zinc/34/18/39/966341839.db2.gz ZGUSZGZFBDKKLV-NWDGAFQWSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001445799147 966341844 /nfs/dbraw/zinc/34/18/44/966341844.db2.gz ZGUSZGZFBDKKLV-NWDGAFQWSA-N 2 2 273.808 1.270 20 30 CDEDLP C=CCCC[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100294319 967925559 /nfs/dbraw/zinc/92/55/59/967925559.db2.gz QQUOBAXMVAMGIG-UHFFFAOYSA-N 2 2 290.411 1.793 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001378618406 975417178 /nfs/dbraw/zinc/41/71/78/975417178.db2.gz ZQRUPYORFOTYJU-YPMHNXCESA-N 2 2 298.818 1.929 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001379130135 975667260 /nfs/dbraw/zinc/66/72/60/975667260.db2.gz ISQCZDILFJHHNJ-UHFFFAOYSA-N 2 2 284.791 1.334 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001379130135 975667268 /nfs/dbraw/zinc/66/72/68/975667268.db2.gz ISQCZDILFJHHNJ-UHFFFAOYSA-N 2 2 284.791 1.334 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001381220955 976722465 /nfs/dbraw/zinc/72/24/65/976722465.db2.gz PTMUGTWOJNBMHT-JTQLQIEISA-N 2 2 270.764 1.189 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001381628499 976938472 /nfs/dbraw/zinc/93/84/72/976938472.db2.gz OXFIYBLPWLGJEV-STQMWFEESA-N 2 2 289.851 1.762 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001381628499 976938484 /nfs/dbraw/zinc/93/84/84/976938484.db2.gz OXFIYBLPWLGJEV-STQMWFEESA-N 2 2 289.851 1.762 20 30 CDEDLP C[NH+](C)Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000591773617 342646252 /nfs/dbraw/zinc/64/62/52/342646252.db2.gz QGFXBSJSBSPGFH-INIZCTEOSA-N 2 2 290.411 1.366 20 30 CDEDLP C[NH+](C)Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000591773617 342646253 /nfs/dbraw/zinc/64/62/53/342646253.db2.gz QGFXBSJSBSPGFH-INIZCTEOSA-N 2 2 290.411 1.366 20 30 CDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000595415358 343048770 /nfs/dbraw/zinc/04/87/70/343048770.db2.gz PJSGWKOQXFIAOY-CZUORRHYSA-N 2 2 275.396 1.910 20 30 CDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000595415358 343048771 /nfs/dbraw/zinc/04/87/71/343048771.db2.gz PJSGWKOQXFIAOY-CZUORRHYSA-N 2 2 275.396 1.910 20 30 CDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000595895631 343183236 /nfs/dbraw/zinc/18/32/36/343183236.db2.gz QWRKAFWKHZEQBI-JKSUJKDBSA-N 2 2 255.365 1.785 20 30 CDEDLP N#Cc1ccc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000595895631 343183237 /nfs/dbraw/zinc/18/32/37/343183237.db2.gz QWRKAFWKHZEQBI-JKSUJKDBSA-N 2 2 255.365 1.785 20 30 CDEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598728487 343887385 /nfs/dbraw/zinc/88/73/85/343887385.db2.gz SQOATOQGLQYOHM-UONOGXRCSA-N 2 2 267.417 1.751 20 30 CDEDLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598728487 343887386 /nfs/dbraw/zinc/88/73/86/343887386.db2.gz SQOATOQGLQYOHM-UONOGXRCSA-N 2 2 267.417 1.751 20 30 CDEDLP N#CCCN(C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000603833581 344838796 /nfs/dbraw/zinc/83/87/96/344838796.db2.gz VLYRUZPIZJCFDH-GASCZTMLSA-N 2 2 298.390 1.084 20 30 CDEDLP N#CCCN(C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000603833581 344838799 /nfs/dbraw/zinc/83/87/99/344838799.db2.gz VLYRUZPIZJCFDH-GASCZTMLSA-N 2 2 298.390 1.084 20 30 CDEDLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391834 346776048 /nfs/dbraw/zinc/77/60/48/346776048.db2.gz AOTZGXQAQFZNIO-GOEBONIOSA-N 2 2 273.380 1.448 20 30 CDEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000611432046 346782408 /nfs/dbraw/zinc/78/24/08/346782408.db2.gz LYVGBSSOSVSTJS-OAHLLOKOSA-N 2 2 275.400 1.357 20 30 CDEDLP CC(C)CNC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000264095090 362965450 /nfs/dbraw/zinc/96/54/50/362965450.db2.gz LWBPRADTYQEOFD-LLVKDONJSA-N 2 2 268.430 1.911 20 30 CDEDLP CCNC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264129807 362974468 /nfs/dbraw/zinc/97/44/68/362974468.db2.gz XPBHGMUTTVIRRK-LBPRGKRZSA-N 2 2 252.337 1.353 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1C#N ZINC000290585279 357226463 /nfs/dbraw/zinc/22/64/63/357226463.db2.gz UWCXUWIDGFGCON-GDBMZVCRSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1C#N ZINC000290585279 357226467 /nfs/dbraw/zinc/22/64/67/357226467.db2.gz UWCXUWIDGFGCON-GDBMZVCRSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C#N ZINC000290585279 357226470 /nfs/dbraw/zinc/22/64/70/357226470.db2.gz UWCXUWIDGFGCON-GDBMZVCRSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1C#N ZINC000290585279 357226477 /nfs/dbraw/zinc/22/64/77/357226477.db2.gz UWCXUWIDGFGCON-GDBMZVCRSA-N 2 2 272.396 1.813 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277175722 359557087 /nfs/dbraw/zinc/55/70/87/359557087.db2.gz KWTQAHXFERSNTL-HOTGVXAUSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277175722 359557092 /nfs/dbraw/zinc/55/70/92/359557092.db2.gz KWTQAHXFERSNTL-HOTGVXAUSA-N 2 2 293.455 1.992 20 30 CDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(CC)CCC#N)C1 ZINC000081516135 359857462 /nfs/dbraw/zinc/85/74/62/359857462.db2.gz NPCDWEXEEDSMIN-OAHLLOKOSA-N 2 2 294.443 1.412 20 30 CDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(CC)CCC#N)C1 ZINC000081516135 359857468 /nfs/dbraw/zinc/85/74/68/359857468.db2.gz NPCDWEXEEDSMIN-OAHLLOKOSA-N 2 2 294.443 1.412 20 30 CDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CC)CCC#N)C1 ZINC000081516135 359857473 /nfs/dbraw/zinc/85/74/73/359857473.db2.gz NPCDWEXEEDSMIN-OAHLLOKOSA-N 2 2 294.443 1.412 20 30 CDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CC)CCC#N)C1 ZINC000081516135 359857478 /nfs/dbraw/zinc/85/74/78/359857478.db2.gz NPCDWEXEEDSMIN-OAHLLOKOSA-N 2 2 294.443 1.412 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)CC[C@@H]2CCCC[NH+]2C)C1=O ZINC000337184328 360029278 /nfs/dbraw/zinc/02/92/78/360029278.db2.gz NSEFYZZDAYSJJP-LSDHHAIUSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)CC[C@@H]2CCCC[NH+]2C)C1=O ZINC000337184328 360029285 /nfs/dbraw/zinc/02/92/85/360029285.db2.gz NSEFYZZDAYSJJP-LSDHHAIUSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)CC[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000337184328 360029289 /nfs/dbraw/zinc/02/92/89/360029289.db2.gz NSEFYZZDAYSJJP-LSDHHAIUSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)CC[C@@H]2CCCC[N@H+]2C)C1=O ZINC000337184328 360029293 /nfs/dbraw/zinc/02/92/93/360029293.db2.gz NSEFYZZDAYSJJP-LSDHHAIUSA-N 2 2 279.428 1.580 20 30 CDEDLP N#CCC[C@@H](C#N)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000515419781 360496189 /nfs/dbraw/zinc/49/61/89/360496189.db2.gz SGOFJUMHNHTVEP-HNNXBMFYSA-N 2 2 290.411 1.665 20 30 CDEDLP C=CC1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431073278 360974688 /nfs/dbraw/zinc/97/46/88/360974688.db2.gz XHHSEYQUWKOMAV-UHFFFAOYSA-N 2 2 250.346 1.661 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2cnccn2)CC1 ZINC000638524454 370731104 /nfs/dbraw/zinc/73/11/04/370731104.db2.gz OJLONFPZNLTDNN-CYBMUJFWSA-N 2 2 260.385 1.648 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173952899 261175046 /nfs/dbraw/zinc/17/50/46/261175046.db2.gz WOKFBJXELPMNOK-GJZGRUSLSA-N 2 2 294.443 1.553 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173952899 261175048 /nfs/dbraw/zinc/17/50/48/261175048.db2.gz WOKFBJXELPMNOK-GJZGRUSLSA-N 2 2 294.443 1.553 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173952899 261175050 /nfs/dbraw/zinc/17/50/50/261175050.db2.gz WOKFBJXELPMNOK-GJZGRUSLSA-N 2 2 294.443 1.553 20 30 CDEDLP C=CCOc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000564869330 370281776 /nfs/dbraw/zinc/28/17/76/370281776.db2.gz UIFLZNAVQVPAII-INIZCTEOSA-N 2 2 290.407 1.796 20 30 CDEDLP C=CCOc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000564869330 370281778 /nfs/dbraw/zinc/28/17/78/370281778.db2.gz UIFLZNAVQVPAII-INIZCTEOSA-N 2 2 290.407 1.796 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247118128 377100612 /nfs/dbraw/zinc/10/06/12/377100612.db2.gz VYIRZWOCGVHTGL-CABCVRRESA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247118128 377100620 /nfs/dbraw/zinc/10/06/20/377100620.db2.gz VYIRZWOCGVHTGL-CABCVRRESA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247118128 377100624 /nfs/dbraw/zinc/10/06/24/377100624.db2.gz VYIRZWOCGVHTGL-CABCVRRESA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247118128 377100631 /nfs/dbraw/zinc/10/06/31/377100631.db2.gz VYIRZWOCGVHTGL-CABCVRRESA-N 2 2 294.443 1.268 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000162043663 377313509 /nfs/dbraw/zinc/31/35/09/377313509.db2.gz IKJPGUZCFRJPLE-UHFFFAOYSA-N 2 2 262.401 1.859 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252692465 377708671 /nfs/dbraw/zinc/70/86/71/377708671.db2.gz LYJFXXJYKWDOKB-DZKIICNBSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252692465 377708675 /nfs/dbraw/zinc/70/86/75/377708675.db2.gz LYJFXXJYKWDOKB-DZKIICNBSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000252692465 377708677 /nfs/dbraw/zinc/70/86/77/377708677.db2.gz LYJFXXJYKWDOKB-DZKIICNBSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000252692465 377708681 /nfs/dbraw/zinc/70/86/81/377708681.db2.gz LYJFXXJYKWDOKB-DZKIICNBSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000293726436 378587198 /nfs/dbraw/zinc/58/71/98/378587198.db2.gz YWGWLVLHXQSURP-UHFFFAOYSA-N 2 2 291.395 1.173 20 30 CDEDLP C#CCNC(=O)CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000293726436 378587205 /nfs/dbraw/zinc/58/72/05/378587205.db2.gz YWGWLVLHXQSURP-UHFFFAOYSA-N 2 2 291.395 1.173 20 30 CDEDLP C#CCNC(=O)CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000293726436 378587211 /nfs/dbraw/zinc/58/72/11/378587211.db2.gz YWGWLVLHXQSURP-UHFFFAOYSA-N 2 2 291.395 1.173 20 30 CDEDLP C#CCNC(=O)CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000293726436 378587216 /nfs/dbraw/zinc/58/72/16/378587216.db2.gz YWGWLVLHXQSURP-UHFFFAOYSA-N 2 2 291.395 1.173 20 30 CDEDLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000289431658 197344237 /nfs/dbraw/zinc/34/42/37/197344237.db2.gz XRKOZBPYZMWDMR-LRDDRELGSA-N 2 2 273.380 1.664 20 30 CDEDLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000289431658 197344239 /nfs/dbraw/zinc/34/42/39/197344239.db2.gz XRKOZBPYZMWDMR-LRDDRELGSA-N 2 2 273.380 1.664 20 30 CDEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NC1CC1 ZINC000103337663 390475080 /nfs/dbraw/zinc/47/50/80/390475080.db2.gz BFXSBUGEMDTKMA-UHFFFAOYSA-N 2 2 271.368 1.672 20 30 CDEDLP C=CCNC(NC[C@H](C)[N@@H+]1CCc2sccc2C1)=[NH+]C ZINC000103901691 390481699 /nfs/dbraw/zinc/48/16/99/390481699.db2.gz CNYYPAVIRGAAKD-LBPRGKRZSA-N 2 2 292.452 1.846 20 30 CDEDLP C=CCNC(NC[C@H](C)[N@H+]1CCc2sccc2C1)=[NH+]C ZINC000103901691 390481704 /nfs/dbraw/zinc/48/17/04/390481704.db2.gz CNYYPAVIRGAAKD-LBPRGKRZSA-N 2 2 292.452 1.846 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339066012 391248357 /nfs/dbraw/zinc/24/83/57/391248357.db2.gz AEPXHULYFNCDOJ-CVEARBPZSA-N 3 2 263.429 1.853 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339066012 391248361 /nfs/dbraw/zinc/24/83/61/391248361.db2.gz AEPXHULYFNCDOJ-CVEARBPZSA-N 3 2 263.429 1.853 20 30 CDEDLP C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+]1CCSCC1 ZINC000328999780 391403480 /nfs/dbraw/zinc/40/34/80/391403480.db2.gz VLRURZIZZFLFPG-JTQLQIEISA-N 2 2 268.386 1.346 20 30 CDEDLP Cn1cc(C[NH2+]CCCNc2cccc[nH+]2)cc1C#N ZINC000191296913 130217342 /nfs/dbraw/zinc/21/73/42/130217342.db2.gz LJVPUVMVPJANFY-UHFFFAOYSA-N 2 2 269.352 1.884 20 30 CDEDLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329813346 391783891 /nfs/dbraw/zinc/78/38/91/391783891.db2.gz DJXOKZGTYBZPJY-CYBMUJFWSA-N 2 2 291.399 1.345 20 30 CDEDLP CCC[N@H+]1CC[C@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329813346 391783894 /nfs/dbraw/zinc/78/38/94/391783894.db2.gz DJXOKZGTYBZPJY-CYBMUJFWSA-N 2 2 291.399 1.345 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)C2CCOCC2)CC1 ZINC000187977207 392115554 /nfs/dbraw/zinc/11/55/54/392115554.db2.gz JIGLVVJAXSALIB-MRXNPFEDSA-N 2 2 282.428 1.668 20 30 CDEDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C#N)c(F)c1 ZINC000423555340 392963638 /nfs/dbraw/zinc/96/36/38/392963638.db2.gz HTPHYMAOWFNQRQ-ZWNOBZJWSA-N 2 2 263.316 1.336 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657454560 414348765 /nfs/dbraw/zinc/34/87/65/414348765.db2.gz LZLGZDADZAHUNH-WFASDCNBSA-N 2 2 261.369 1.900 20 30 CDEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000078704808 177373764 /nfs/dbraw/zinc/37/37/64/177373764.db2.gz KNCRLSLRRHMCJK-HZPDHXFCSA-N 2 2 293.455 1.875 20 30 CDEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000078704808 177373766 /nfs/dbraw/zinc/37/37/66/177373766.db2.gz KNCRLSLRRHMCJK-HZPDHXFCSA-N 2 2 293.455 1.875 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000078704808 177373767 /nfs/dbraw/zinc/37/37/67/177373767.db2.gz KNCRLSLRRHMCJK-HZPDHXFCSA-N 2 2 293.455 1.875 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000078704808 177373769 /nfs/dbraw/zinc/37/37/69/177373769.db2.gz KNCRLSLRRHMCJK-HZPDHXFCSA-N 2 2 293.455 1.875 20 30 CDEDLP COc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)ccc1C#N ZINC000313330496 260285322 /nfs/dbraw/zinc/28/53/22/260285322.db2.gz AGKCVVWUGVSQLJ-AWEZNQCLSA-N 2 2 275.352 1.116 20 30 CDEDLP COc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)ccc1C#N ZINC000313330496 260285324 /nfs/dbraw/zinc/28/53/24/260285324.db2.gz AGKCVVWUGVSQLJ-AWEZNQCLSA-N 2 2 275.352 1.116 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173952899 261175044 /nfs/dbraw/zinc/17/50/44/261175044.db2.gz WOKFBJXELPMNOK-GJZGRUSLSA-N 2 2 294.443 1.553 20 30 CDEDLP CC(C)[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCOCC1 ZINC000161485757 261248237 /nfs/dbraw/zinc/24/82/37/261248237.db2.gz LQOVOBREFASXQN-OAHLLOKOSA-N 2 2 290.411 1.770 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000491275973 261396787 /nfs/dbraw/zinc/39/67/87/261396787.db2.gz HDMLSDIXAXSOKR-MRXNPFEDSA-N 2 2 264.413 1.709 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000491275973 261396789 /nfs/dbraw/zinc/39/67/89/261396789.db2.gz HDMLSDIXAXSOKR-MRXNPFEDSA-N 2 2 264.413 1.709 20 30 CDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000491275973 261396791 /nfs/dbraw/zinc/39/67/91/261396791.db2.gz HDMLSDIXAXSOKR-MRXNPFEDSA-N 2 2 264.413 1.709 20 30 CDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000491275973 261396794 /nfs/dbraw/zinc/39/67/94/261396794.db2.gz HDMLSDIXAXSOKR-MRXNPFEDSA-N 2 2 264.413 1.709 20 30 CDEDLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000293113176 263137837 /nfs/dbraw/zinc/13/78/37/263137837.db2.gz OTVVILFPDCYWJZ-UONOGXRCSA-N 2 2 286.379 1.904 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000330786196 264053232 /nfs/dbraw/zinc/05/32/32/264053232.db2.gz MXLYIQDRAJBPLX-IJEWVQPXSA-N 2 2 294.443 1.313 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000330786196 264053234 /nfs/dbraw/zinc/05/32/34/264053234.db2.gz MXLYIQDRAJBPLX-IJEWVQPXSA-N 2 2 294.443 1.313 20 30 CDEDLP C=CCN(CCc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653079271 423860097 /nfs/dbraw/zinc/86/00/97/423860097.db2.gz YLKDMWKSFHKLDP-INIZCTEOSA-N 2 2 289.423 1.523 20 30 CDEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CCC(C#N)CC1 ZINC000333301267 278295120 /nfs/dbraw/zinc/29/51/20/278295120.db2.gz QCNBKNMUGFCPSX-PPWQZUPISA-N 2 2 265.401 1.673 20 30 CDEDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CCC[NH2+]1 ZINC000423414414 293293498 /nfs/dbraw/zinc/29/34/98/293293498.db2.gz MUORIESDNRRGCW-XJKSGUPXSA-N 2 2 273.380 1.977 20 30 CDEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1 ZINC000563215344 327969946 /nfs/dbraw/zinc/96/99/46/327969946.db2.gz GOWZXRGFSRXOFI-LSDHHAIUSA-N 2 2 277.412 1.505 20 30 CDEDLP C=CC[NH+](CCc1ccco1)C[C@H](O)C[N@@H+](C)CC ZINC000563352332 328057170 /nfs/dbraw/zinc/05/71/70/328057170.db2.gz CBFXOKQKFLQYMR-CQSZACIVSA-N 2 2 266.385 1.623 20 30 CDEDLP C=CC[NH+](CCc1ccco1)C[C@H](O)C[N@H+](C)CC ZINC000563352332 328057172 /nfs/dbraw/zinc/05/71/72/328057172.db2.gz CBFXOKQKFLQYMR-CQSZACIVSA-N 2 2 266.385 1.623 20 30 CDEDLP C=CC[N@@H+](CCc1ccco1)C[C@H](O)C[NH+](C)CC ZINC000563352332 328057174 /nfs/dbraw/zinc/05/71/74/328057174.db2.gz CBFXOKQKFLQYMR-CQSZACIVSA-N 2 2 266.385 1.623 20 30 CDEDLP C=CC[N@H+](CCc1ccco1)C[C@H](O)C[NH+](C)CC ZINC000563352332 328057176 /nfs/dbraw/zinc/05/71/76/328057176.db2.gz CBFXOKQKFLQYMR-CQSZACIVSA-N 2 2 266.385 1.623 20 30 CDEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])NCC2CCC2)C[C@H](C)O1 ZINC000263230915 330050012 /nfs/dbraw/zinc/05/00/12/330050012.db2.gz HZYNHRDDGBFFQN-BETUJISGSA-N 2 2 296.459 1.579 20 30 CDEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])NCC2CCC2)C[C@H](C)O1 ZINC000263230915 330050014 /nfs/dbraw/zinc/05/00/14/330050014.db2.gz HZYNHRDDGBFFQN-BETUJISGSA-N 2 2 296.459 1.579 20 30 CDEDLP C#CCNC(=O)CC[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000491514574 332226771 /nfs/dbraw/zinc/22/67/71/332226771.db2.gz IXASXGINCLSNLV-UHFFFAOYSA-N 2 2 296.374 1.161 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1=O ZINC000336573897 526476738 /nfs/dbraw/zinc/47/67/38/526476738.db2.gz QLYUHTSQWUGWHR-CQSZACIVSA-N 2 2 277.412 1.334 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1=O ZINC000336573897 526476740 /nfs/dbraw/zinc/47/67/40/526476740.db2.gz QLYUHTSQWUGWHR-CQSZACIVSA-N 2 2 277.412 1.334 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735426638 575467124 /nfs/dbraw/zinc/46/71/24/575467124.db2.gz UCVORERDHQZORD-UHFFFAOYSA-N 2 2 298.394 1.607 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC(CC)(CC)C2)CC1 ZINC000756023622 576974535 /nfs/dbraw/zinc/97/45/35/576974535.db2.gz NJQVFHPZTJXKOH-UHFFFAOYSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC(CC)(CC)C2)CC1 ZINC000756023622 576974536 /nfs/dbraw/zinc/97/45/36/576974536.db2.gz NJQVFHPZTJXKOH-UHFFFAOYSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977533318 613031480 /nfs/dbraw/zinc/03/14/80/613031480.db2.gz ITFAADUGCOBJJS-CQSZACIVSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977533318 613031482 /nfs/dbraw/zinc/03/14/82/613031482.db2.gz ITFAADUGCOBJJS-CQSZACIVSA-N 2 2 288.395 1.111 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945808050 613271032 /nfs/dbraw/zinc/27/10/32/613271032.db2.gz NIHKUTZWIQORTL-CABCVRRESA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945808050 613271034 /nfs/dbraw/zinc/27/10/34/613271034.db2.gz NIHKUTZWIQORTL-CABCVRRESA-N 2 2 290.411 1.676 20 30 CDEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977658878 613281752 /nfs/dbraw/zinc/28/17/52/613281752.db2.gz VNXVEMNRPMVPGH-LSDHHAIUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977658878 613281753 /nfs/dbraw/zinc/28/17/53/613281753.db2.gz VNXVEMNRPMVPGH-LSDHHAIUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658878 613281754 /nfs/dbraw/zinc/28/17/54/613281754.db2.gz VNXVEMNRPMVPGH-LSDHHAIUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658878 613281755 /nfs/dbraw/zinc/28/17/55/613281755.db2.gz VNXVEMNRPMVPGH-LSDHHAIUSA-N 2 2 291.439 1.321 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449788 613341440 /nfs/dbraw/zinc/34/14/40/613341440.db2.gz DCNDQNNZBKWBEA-AWEZNQCLSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449788 613341441 /nfs/dbraw/zinc/34/14/41/613341441.db2.gz DCNDQNNZBKWBEA-AWEZNQCLSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872801 613373159 /nfs/dbraw/zinc/37/31/59/613373159.db2.gz XUGBFRKLNSJDSX-UHFFFAOYSA-N 2 2 299.846 1.615 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872801 613373160 /nfs/dbraw/zinc/37/31/60/613373160.db2.gz XUGBFRKLNSJDSX-UHFFFAOYSA-N 2 2 299.846 1.615 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944157375 613521205 /nfs/dbraw/zinc/52/12/05/613521205.db2.gz ZYPGJPPDFRNFBM-DZGCQCFKSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944157375 613521208 /nfs/dbraw/zinc/52/12/08/613521208.db2.gz ZYPGJPPDFRNFBM-DZGCQCFKSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000949862547 613713643 /nfs/dbraw/zinc/71/36/43/613713643.db2.gz HHQMAXPEUAJKQC-KBPBESRZSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000949862547 613713644 /nfs/dbraw/zinc/71/36/44/613713644.db2.gz HHQMAXPEUAJKQC-KBPBESRZSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980247117 613820611 /nfs/dbraw/zinc/82/06/11/613820611.db2.gz PQAQRFZRYIKMIM-KKUMJFAQSA-N 2 2 288.395 1.286 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980247117 613820612 /nfs/dbraw/zinc/82/06/12/613820612.db2.gz PQAQRFZRYIKMIM-KKUMJFAQSA-N 2 2 288.395 1.286 20 30 CDEDLP C#CCC[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130001555 1162516838 /nfs/dbraw/zinc/51/68/38/1162516838.db2.gz RXWHISDBQFTZBO-CQSZACIVSA-N 2 2 276.384 1.199 20 30 CDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471977 1162522897 /nfs/dbraw/zinc/52/28/97/1162522897.db2.gz JQGGAMYNXNJRLM-CYBMUJFWSA-N 2 2 278.400 1.793 20 30 CDEDLP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001755304850 1185907331 /nfs/dbraw/zinc/90/73/31/1185907331.db2.gz DXWJFNURFVTVHK-ZDUSSCGKSA-N 2 2 289.379 1.093 20 30 CDEDLP C#CCC[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001755304850 1185907334 /nfs/dbraw/zinc/90/73/34/1185907334.db2.gz DXWJFNURFVTVHK-ZDUSSCGKSA-N 2 2 289.379 1.093 20 30 CDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001755425929 1185949054 /nfs/dbraw/zinc/94/90/54/1185949054.db2.gz NIXSSNITZJDRNV-QKDCVEJESA-N 2 2 288.395 1.143 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001755425929 1185949056 /nfs/dbraw/zinc/94/90/56/1185949056.db2.gz NIXSSNITZJDRNV-QKDCVEJESA-N 2 2 288.395 1.143 20 30 CDEDLP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001755684225 1186036561 /nfs/dbraw/zinc/03/65/61/1186036561.db2.gz HSRSIZSRFQIMKX-UONOGXRCSA-N 2 2 296.374 1.550 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC ZINC001037937166 745011849 /nfs/dbraw/zinc/01/18/49/745011849.db2.gz YIVHOGGRNKMGGO-OCCSQVGLSA-N 2 2 276.384 1.355 20 30 CDEDLP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969112 745278320 /nfs/dbraw/zinc/27/83/20/745278320.db2.gz BMOGNKOIHWEEAC-AWEZNQCLSA-N 2 2 296.374 1.780 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969112 745278328 /nfs/dbraw/zinc/27/83/28/745278328.db2.gz BMOGNKOIHWEEAC-AWEZNQCLSA-N 2 2 296.374 1.780 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038344659 745393160 /nfs/dbraw/zinc/39/31/60/745393160.db2.gz HKJOMGNMRQYWMF-KGLIPLIRSA-N 2 2 288.395 1.527 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038344659 745393164 /nfs/dbraw/zinc/39/31/64/745393164.db2.gz HKJOMGNMRQYWMF-KGLIPLIRSA-N 2 2 288.395 1.527 20 30 CDEDLP C=CCC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001043989691 745534431 /nfs/dbraw/zinc/53/44/31/745534431.db2.gz GRTWEELJNCFEBQ-UHFFFAOYSA-N 2 2 290.411 1.725 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001042849426 745671001 /nfs/dbraw/zinc/67/10/01/745671001.db2.gz VMJJSASYHGOISQ-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001042849426 745671021 /nfs/dbraw/zinc/67/10/21/745671021.db2.gz VMJJSASYHGOISQ-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036909261 745860508 /nfs/dbraw/zinc/86/05/08/745860508.db2.gz BPKCLJUQBOUSGB-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036909261 745860509 /nfs/dbraw/zinc/86/05/09/745860509.db2.gz BPKCLJUQBOUSGB-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001005523008 745892324 /nfs/dbraw/zinc/89/23/24/745892324.db2.gz PVPHLPZDBLGEMR-ZIAGYGMSSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000989034339 746013326 /nfs/dbraw/zinc/01/33/26/746013326.db2.gz AHAQUHNEGSWMKI-GXTWGEPZSA-N 2 2 289.379 1.398 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)c2occc2C[NH+](C)C)C1 ZINC001030859782 746073030 /nfs/dbraw/zinc/07/30/30/746073030.db2.gz WDFDXMSRXLCZKA-UHFFFAOYSA-N 2 2 277.368 1.331 20 30 CDEDLP C#C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000775571190 746323517 /nfs/dbraw/zinc/32/35/17/746323517.db2.gz CDSLMPJZXWKZEL-CVEARBPZSA-N 2 2 285.391 1.821 20 30 CDEDLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1C#N ZINC000817914989 746324859 /nfs/dbraw/zinc/32/48/59/746324859.db2.gz FOWKKHIMGYNKMR-BXUZGUMPSA-N 2 2 259.353 1.654 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999414398 746342717 /nfs/dbraw/zinc/34/27/17/746342717.db2.gz VRQWKCBAPOUGOO-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000999414398 746342723 /nfs/dbraw/zinc/34/27/23/746342723.db2.gz VRQWKCBAPOUGOO-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001032675145 746806622 /nfs/dbraw/zinc/80/66/22/746806622.db2.gz JKHUMVFFPGDEAK-QEJZJMRPSA-N 2 2 288.395 1.450 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001032675145 746806623 /nfs/dbraw/zinc/80/66/23/746806623.db2.gz JKHUMVFFPGDEAK-QEJZJMRPSA-N 2 2 288.395 1.450 20 30 CDEDLP C[NH+](C)C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885953920 746831064 /nfs/dbraw/zinc/83/10/64/746831064.db2.gz JOHYKKMQCCVSCH-CQSZACIVSA-N 2 2 265.401 1.457 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000987602535 746975811 /nfs/dbraw/zinc/97/58/11/746975811.db2.gz BWBIVLQPIGLEPY-NWDGAFQWSA-N 2 2 282.775 1.215 20 30 CDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC000931279593 747107845 /nfs/dbraw/zinc/10/78/45/747107845.db2.gz LRMIZOXEEKPPBB-ZSHCYNCHSA-N 2 2 271.364 1.581 20 30 CDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC000931279593 747107855 /nfs/dbraw/zinc/10/78/55/747107855.db2.gz LRMIZOXEEKPPBB-ZSHCYNCHSA-N 2 2 271.364 1.581 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC000989224409 747205089 /nfs/dbraw/zinc/20/50/89/747205089.db2.gz WBYDDWUFAHJHGG-QWHCGFSZSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649926 747540414 /nfs/dbraw/zinc/54/04/14/747540414.db2.gz WILOYAYBLOFPFR-ZDUSSCGKSA-N 2 2 290.411 1.796 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649926 747540429 /nfs/dbraw/zinc/54/04/29/747540429.db2.gz WILOYAYBLOFPFR-ZDUSSCGKSA-N 2 2 290.411 1.796 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036852030 748219944 /nfs/dbraw/zinc/21/99/44/748219944.db2.gz WIGRKNWTTIKURZ-ZIAGYGMSSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036852030 748219953 /nfs/dbraw/zinc/21/99/53/748219953.db2.gz WIGRKNWTTIKURZ-ZIAGYGMSSA-N 2 2 288.395 1.451 20 30 CDEDLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]([NH3+])CCCC#N)c1C ZINC000827970372 748224086 /nfs/dbraw/zinc/22/40/86/748224086.db2.gz FGDGVSCARUAECF-LBPRGKRZSA-N 2 2 290.367 1.344 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000986356633 748355820 /nfs/dbraw/zinc/35/58/20/748355820.db2.gz SQGHOSZDPWVDHZ-WCQYABFASA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC000986356633 748355833 /nfs/dbraw/zinc/35/58/33/748355833.db2.gz SQGHOSZDPWVDHZ-WCQYABFASA-N 2 2 262.357 1.107 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001038423526 748391783 /nfs/dbraw/zinc/39/17/83/748391783.db2.gz DEJAMKNOTWYBGH-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001038423526 748391789 /nfs/dbraw/zinc/39/17/89/748391789.db2.gz DEJAMKNOTWYBGH-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000987258653 748398685 /nfs/dbraw/zinc/39/86/85/748398685.db2.gz HQMYEQYDCJMDPY-NWDGAFQWSA-N 2 2 262.357 1.107 20 30 CDEDLP C=C(C)C[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000997047057 748731534 /nfs/dbraw/zinc/73/15/34/748731534.db2.gz VRCQNAYXIDJOKE-AWEZNQCLSA-N 2 2 290.411 1.991 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038545292 748800286 /nfs/dbraw/zinc/80/02/86/748800286.db2.gz COECJPOQYZEDLM-INIZCTEOSA-N 2 2 299.418 1.228 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038545292 748800288 /nfs/dbraw/zinc/80/02/88/748800288.db2.gz COECJPOQYZEDLM-INIZCTEOSA-N 2 2 299.418 1.228 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000987441012 749277992 /nfs/dbraw/zinc/27/79/92/749277992.db2.gz NXUSDSGPSHGZBP-JSGCOSHPSA-N 2 2 276.384 1.118 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001671188049 1166928776 /nfs/dbraw/zinc/92/87/76/1166928776.db2.gz GUBTVTROIOAUFT-CYBMUJFWSA-N 2 2 253.390 1.045 20 30 CDEDLP C=C(C)C[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127293263 913599035 /nfs/dbraw/zinc/59/90/35/913599035.db2.gz RQVAKQPNFDKGFP-UHFFFAOYSA-N 2 2 272.352 1.538 20 30 CDEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCc4[nH+]ccn4CC3)c12 ZINC001167181306 894820465 /nfs/dbraw/zinc/82/04/65/894820465.db2.gz YQOKJDIZKTUPLL-UHFFFAOYSA-N 2 2 278.319 1.694 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167428234 895638794 /nfs/dbraw/zinc/63/87/94/895638794.db2.gz IJPOBYZBQOBSPY-CQSZACIVSA-N 2 2 278.400 1.896 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161310273 895692267 /nfs/dbraw/zinc/69/22/67/895692267.db2.gz SKDWFVQNXQOOGM-CQSZACIVSA-N 2 2 290.411 1.508 20 30 CDEDLP N#Cc1cccc2c(C[N@@H+]3CCC[NH2+]CC3)c[nH]c21 ZINC001204667347 901117039 /nfs/dbraw/zinc/11/70/39/901117039.db2.gz IURDKJQULDAUMQ-UHFFFAOYSA-N 2 2 254.337 1.835 20 30 CDEDLP N#Cc1cccc2c(C[N@H+]3CCC[NH2+]CC3)c[nH]c21 ZINC001204667347 901117047 /nfs/dbraw/zinc/11/70/47/901117047.db2.gz IURDKJQULDAUMQ-UHFFFAOYSA-N 2 2 254.337 1.835 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000987414846 907711798 /nfs/dbraw/zinc/71/17/98/907711798.db2.gz JZIPYZLNSDGEHH-RYUDHWBXSA-N 2 2 262.357 1.026 20 30 CDEDLP N#Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1F ZINC001206165139 911745743 /nfs/dbraw/zinc/74/57/43/911745743.db2.gz MEUNZXRLHXVWCP-ZIAGYGMSSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1F ZINC001206165139 911745760 /nfs/dbraw/zinc/74/57/60/911745760.db2.gz MEUNZXRLHXVWCP-ZIAGYGMSSA-N 2 2 265.307 1.959 20 30 CDEDLP CC#CC[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179906892 916089780 /nfs/dbraw/zinc/08/97/80/916089780.db2.gz PBEFHPCWPZDMGN-UHFFFAOYSA-N 2 2 276.384 1.242 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937140 917328557 /nfs/dbraw/zinc/32/85/57/917328557.db2.gz KJRYUUKAIXJEAX-ZIAGYGMSSA-N 2 2 290.411 1.223 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127792158 918449895 /nfs/dbraw/zinc/44/98/95/918449895.db2.gz UPNYKSPYVBFMQW-UHFFFAOYSA-N 2 2 290.411 1.434 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187523413 920569922 /nfs/dbraw/zinc/56/99/22/920569922.db2.gz ZXLYFLXKHSAYJS-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190458552 922018857 /nfs/dbraw/zinc/01/88/57/922018857.db2.gz GLDHXRZPURBHLZ-LSDHHAIUSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191480494 922577018 /nfs/dbraw/zinc/57/70/18/922577018.db2.gz YXRQZVUIKIKCCY-AWEZNQCLSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191480494 922577035 /nfs/dbraw/zinc/57/70/35/922577035.db2.gz YXRQZVUIKIKCCY-AWEZNQCLSA-N 2 2 290.411 1.462 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085628798 926228730 /nfs/dbraw/zinc/22/87/30/926228730.db2.gz FZWDKEGMEYJMJL-LSDHHAIUSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085628798 926228738 /nfs/dbraw/zinc/22/87/38/926228738.db2.gz FZWDKEGMEYJMJL-LSDHHAIUSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085628798 926228746 /nfs/dbraw/zinc/22/87/46/926228746.db2.gz FZWDKEGMEYJMJL-LSDHHAIUSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085628798 926228751 /nfs/dbraw/zinc/22/87/51/926228751.db2.gz FZWDKEGMEYJMJL-LSDHHAIUSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085855313 926459729 /nfs/dbraw/zinc/45/97/29/926459729.db2.gz VGURFLSTXDFSKW-JKSUJKDBSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855313 926459734 /nfs/dbraw/zinc/45/97/34/926459734.db2.gz VGURFLSTXDFSKW-JKSUJKDBSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855313 926459737 /nfs/dbraw/zinc/45/97/37/926459737.db2.gz VGURFLSTXDFSKW-JKSUJKDBSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855313 926459740 /nfs/dbraw/zinc/45/97/40/926459740.db2.gz VGURFLSTXDFSKW-JKSUJKDBSA-N 2 2 291.439 1.415 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001488792604 926717358 /nfs/dbraw/zinc/71/73/58/926717358.db2.gz QARNRVJTZAQZCK-TXEJJXNPSA-N 2 2 296.802 1.498 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114957439 937312144 /nfs/dbraw/zinc/31/21/44/937312144.db2.gz SMKKMLXWZVPUBN-RZFFKMDDSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114957439 937312148 /nfs/dbraw/zinc/31/21/48/937312148.db2.gz SMKKMLXWZVPUBN-RZFFKMDDSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114957439 937312151 /nfs/dbraw/zinc/31/21/51/937312151.db2.gz SMKKMLXWZVPUBN-RZFFKMDDSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114957439 937312155 /nfs/dbraw/zinc/31/21/55/937312155.db2.gz SMKKMLXWZVPUBN-RZFFKMDDSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552159 930260287 /nfs/dbraw/zinc/26/02/87/930260287.db2.gz BJLVVTDXEIHPNX-CHWSQXEVSA-N 2 2 294.399 1.028 20 30 CDEDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC001144169754 931690578 /nfs/dbraw/zinc/69/05/78/931690578.db2.gz UUSYDIBRFDDQBJ-UHFFFAOYSA-N 2 2 293.374 1.979 20 30 CDEDLP C#CCCC[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001275975919 932192407 /nfs/dbraw/zinc/19/24/07/932192407.db2.gz RSMXPNRTHPQWKK-UHFFFAOYSA-N 2 2 286.423 1.694 20 30 CDEDLP C#CCCC[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001275975919 932192410 /nfs/dbraw/zinc/19/24/10/932192410.db2.gz RSMXPNRTHPQWKK-UHFFFAOYSA-N 2 2 286.423 1.694 20 30 CDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319568 932934748 /nfs/dbraw/zinc/93/47/48/932934748.db2.gz RKMVOUZPGUKRBP-ZBFHGGJFSA-N 2 2 288.395 1.240 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319568 932934758 /nfs/dbraw/zinc/93/47/58/932934758.db2.gz RKMVOUZPGUKRBP-ZBFHGGJFSA-N 2 2 288.395 1.240 20 30 CDEDLP C#CCC[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160820054 938829255 /nfs/dbraw/zinc/82/92/55/938829255.db2.gz BSDYNIPHOZCFTL-UHFFFAOYSA-N 2 2 276.384 1.046 20 30 CDEDLP C=CCN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C1CCCCC1 ZINC001161248436 938882842 /nfs/dbraw/zinc/88/28/42/938882842.db2.gz ZKNRVIQDIFIXGE-AEGPPILISA-N 2 2 277.412 1.284 20 30 CDEDLP C#CCCC1(CCNc2ccc(N3CC[NH2+]CC3)c[nH+]2)N=N1 ZINC001163381058 939259430 /nfs/dbraw/zinc/25/94/30/939259430.db2.gz ORGBRBBJDBOYRZ-UHFFFAOYSA-N 2 2 298.394 1.869 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ncc(C#N)cc1C#N)CC[NH2+]CC2 ZINC001165353117 939550589 /nfs/dbraw/zinc/55/05/89/939550589.db2.gz KZXHXGXGWRBNLY-UHFFFAOYSA-N 2 2 278.319 1.007 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667053 940704854 /nfs/dbraw/zinc/70/48/54/940704854.db2.gz CNQINLFIPRNGPW-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)C[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001223419267 941676417 /nfs/dbraw/zinc/67/64/17/941676417.db2.gz JACGZHXTUFCCBO-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C=C(C)C[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001223419267 941676422 /nfs/dbraw/zinc/67/64/22/941676422.db2.gz JACGZHXTUFCCBO-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C#CC[NH+]1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001224692382 941783316 /nfs/dbraw/zinc/78/33/16/941783316.db2.gz QLQDLCVHGVPEIW-AWEZNQCLSA-N 2 2 288.395 1.296 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234334599 943806218 /nfs/dbraw/zinc/80/62/18/943806218.db2.gz PPWUVUMETPLTLT-HNNXBMFYSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234334599 943806219 /nfs/dbraw/zinc/80/62/19/943806219.db2.gz PPWUVUMETPLTLT-HNNXBMFYSA-N 2 2 291.439 1.417 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H]3C[NH3+])c2c1 ZINC001236245121 944435618 /nfs/dbraw/zinc/43/56/18/944435618.db2.gz IVIOWQJPCQCCMD-CYBMUJFWSA-N 2 2 254.337 1.963 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H]3C[NH3+])c2c1 ZINC001236245121 944435623 /nfs/dbraw/zinc/43/56/23/944435623.db2.gz IVIOWQJPCQCCMD-CYBMUJFWSA-N 2 2 254.337 1.963 20 30 CDEDLP C=CC[NH2+]CCN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001237043058 944643786 /nfs/dbraw/zinc/64/37/86/944643786.db2.gz QGLLNGVULZNBOT-CQSZACIVSA-N 2 2 287.398 1.958 20 30 CDEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001258899635 945442052 /nfs/dbraw/zinc/44/20/52/945442052.db2.gz OEROVCZADUWWTG-RYUDHWBXSA-N 2 2 276.446 1.558 20 30 CDEDLP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001262576452 946728666 /nfs/dbraw/zinc/72/86/66/946728666.db2.gz PWYJXPFQGYEMIV-CHWSQXEVSA-N 2 2 255.406 1.463 20 30 CDEDLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC[NH2+]1 ZINC001246692936 948407502 /nfs/dbraw/zinc/40/75/02/948407502.db2.gz ITLPZYVDPURDGA-USWWRNFRSA-N 2 2 252.383 1.401 20 30 CDEDLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC[NH2+]1 ZINC001246692936 948407507 /nfs/dbraw/zinc/40/75/07/948407507.db2.gz ITLPZYVDPURDGA-USWWRNFRSA-N 2 2 252.383 1.401 20 30 CDEDLP C=C(C)CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001337076931 960917769 /nfs/dbraw/zinc/91/77/69/960917769.db2.gz PQTWPJMAKDVNBC-MRXNPFEDSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001337076931 960917789 /nfs/dbraw/zinc/91/77/89/960917789.db2.gz PQTWPJMAKDVNBC-MRXNPFEDSA-N 2 2 293.455 1.970 20 30 CDEDLP C=CC[NH+]1CCN(C(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200430401 968185525 /nfs/dbraw/zinc/18/55/25/968185525.db2.gz ZPLOPDBGLLRBRJ-UHFFFAOYSA-N 2 2 296.484 1.150 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001373800304 973647695 /nfs/dbraw/zinc/64/76/95/973647695.db2.gz IVDACALQUJVTET-SNVBAGLBSA-N 2 2 270.764 1.189 20 30 CDEDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000589258950 342502055 /nfs/dbraw/zinc/50/20/55/342502055.db2.gz HJUWZTPAICNXLB-BLLLJJGKSA-N 2 2 273.380 1.664 20 30 CDEDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000589258950 342502056 /nfs/dbraw/zinc/50/20/56/342502056.db2.gz HJUWZTPAICNXLB-BLLLJJGKSA-N 2 2 273.380 1.664 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257812 342098753 /nfs/dbraw/zinc/09/87/53/342098753.db2.gz GEKQJGQWPRQUQY-KGLIPLIRSA-N 2 2 289.383 1.281 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257812 342098754 /nfs/dbraw/zinc/09/87/54/342098754.db2.gz GEKQJGQWPRQUQY-KGLIPLIRSA-N 2 2 289.383 1.281 20 30 CDEDLP N#CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000594607362 342925431 /nfs/dbraw/zinc/92/54/31/342925431.db2.gz TZHWLAUCAKMLBH-CQSZACIVSA-N 2 2 263.385 1.523 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000594499020 342914206 /nfs/dbraw/zinc/91/42/06/342914206.db2.gz ARMVTZALIIJHAX-BPLDGKMQSA-N 2 2 263.385 1.522 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000442815334 362093142 /nfs/dbraw/zinc/09/31/42/362093142.db2.gz DXSSNLPNMOVPCM-VSZNYVQBSA-N 2 2 299.418 1.904 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000442815334 362093151 /nfs/dbraw/zinc/09/31/51/362093151.db2.gz DXSSNLPNMOVPCM-VSZNYVQBSA-N 2 2 299.418 1.904 20 30 CDEDLP C[C@@]1(C#N)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602903816 344655559 /nfs/dbraw/zinc/65/55/59/344655559.db2.gz SQGQQXQCTYYBSK-ZWKOTPCHSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@@]1(C#N)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602903816 344655562 /nfs/dbraw/zinc/65/55/62/344655562.db2.gz SQGQQXQCTYYBSK-ZWKOTPCHSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@@]1(C#N)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602903816 344655565 /nfs/dbraw/zinc/65/55/65/344655565.db2.gz SQGQQXQCTYYBSK-ZWKOTPCHSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@@]1(C#N)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602903816 344655567 /nfs/dbraw/zinc/65/55/67/344655567.db2.gz SQGQQXQCTYYBSK-ZWKOTPCHSA-N 2 2 299.418 1.859 20 30 CDEDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000314208299 344910847 /nfs/dbraw/zinc/91/08/47/344910847.db2.gz UPFFFOZKMDCFFE-CZUORRHYSA-N 2 2 291.395 1.148 20 30 CDEDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000314208299 344910851 /nfs/dbraw/zinc/91/08/51/344910851.db2.gz UPFFFOZKMDCFFE-CZUORRHYSA-N 2 2 291.395 1.148 20 30 CDEDLP C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000618888270 345419547 /nfs/dbraw/zinc/41/95/47/345419547.db2.gz OXRYPOITFSQCIR-LSDHHAIUSA-N 2 2 265.401 1.580 20 30 CDEDLP C[C@@H](CCC#N)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000618888270 345419549 /nfs/dbraw/zinc/41/95/49/345419549.db2.gz OXRYPOITFSQCIR-LSDHHAIUSA-N 2 2 265.401 1.580 20 30 CDEDLP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1C#N ZINC000087833416 345836783 /nfs/dbraw/zinc/83/67/83/345836783.db2.gz BZGDTOUXZHYODN-UHFFFAOYSA-N 2 2 261.369 1.950 20 30 CDEDLP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1C#N ZINC000087833416 345836785 /nfs/dbraw/zinc/83/67/85/345836785.db2.gz BZGDTOUXZHYODN-UHFFFAOYSA-N 2 2 261.369 1.950 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000174945331 347663172 /nfs/dbraw/zinc/66/31/72/347663172.db2.gz QGVOIUXHMVVYFG-UONOGXRCSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000174945331 347663178 /nfs/dbraw/zinc/66/31/78/347663178.db2.gz QGVOIUXHMVVYFG-UONOGXRCSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000174945331 347663181 /nfs/dbraw/zinc/66/31/81/347663181.db2.gz QGVOIUXHMVVYFG-UONOGXRCSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000174945331 347663184 /nfs/dbraw/zinc/66/31/84/347663184.db2.gz QGVOIUXHMVVYFG-UONOGXRCSA-N 2 2 267.417 1.341 20 30 CDEDLP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C#N ZINC000090320588 347653441 /nfs/dbraw/zinc/65/34/41/347653441.db2.gz MWYWPQKHOXBJRU-KBPBESRZSA-N 2 2 257.337 1.218 20 30 CDEDLP C[NH+]=C(NCc1ccccc1-n1cc[nH+]c1)NC1CC1 ZINC000264046934 362952954 /nfs/dbraw/zinc/95/29/54/362952954.db2.gz LDIPJWRYJKLQOW-UHFFFAOYSA-N 2 2 269.352 1.700 20 30 CDEDLP CSc1ccc(C[NH2+][C@@H](C)[C@H]2C[NH2+]CCO2)cc1C#N ZINC001579387857 1172164907 /nfs/dbraw/zinc/16/49/07/1172164907.db2.gz HGXYNMJOKKQNBY-SMDDNHRTSA-N 2 2 291.420 1.747 20 30 CDEDLP C[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271883243 191387792 /nfs/dbraw/zinc/38/77/92/191387792.db2.gz PUFYQGHGIGQNAQ-AWEZNQCLSA-N 2 2 287.407 1.883 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000299532702 357091402 /nfs/dbraw/zinc/09/14/02/357091402.db2.gz ZUCZHWFFBURVIM-UHFFFAOYSA-N 2 2 273.336 1.374 20 30 CDEDLP C=CCOCCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000348029058 359777663 /nfs/dbraw/zinc/77/76/63/359777663.db2.gz GTJVZCKELWAQCP-UHFFFAOYSA-N 2 2 278.400 1.130 20 30 CDEDLP C=C(C)COCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000163510260 359926316 /nfs/dbraw/zinc/92/63/16/359926316.db2.gz KXYYOGWOMQSDDS-UHFFFAOYSA-N 2 2 252.362 1.168 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000337200633 360022802 /nfs/dbraw/zinc/02/28/02/360022802.db2.gz ZUNVQVXWTMMZHE-HZPDHXFCSA-N 2 2 291.439 1.724 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000337200633 360022808 /nfs/dbraw/zinc/02/28/08/360022808.db2.gz ZUNVQVXWTMMZHE-HZPDHXFCSA-N 2 2 291.439 1.724 20 30 CDEDLP Cc1cc(NCC[N@H+]2CC=C(C)CC2)c(C#N)c[nH+]1 ZINC000568620023 294068781 /nfs/dbraw/zinc/06/87/81/294068781.db2.gz DDEOBHRTZFNLOO-UHFFFAOYSA-N 2 2 256.353 1.748 20 30 CDEDLP Cc1cc(NCC[N@@H+]2CC=C(C)CC2)c(C#N)c[nH+]1 ZINC000568620023 294068784 /nfs/dbraw/zinc/06/87/84/294068784.db2.gz DDEOBHRTZFNLOO-UHFFFAOYSA-N 2 2 256.353 1.748 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000573048359 364848465 /nfs/dbraw/zinc/84/84/65/364848465.db2.gz QYZQFHTVEZGUEK-UHFFFAOYSA-N 2 2 267.336 1.604 20 30 CDEDLP CCCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912359 365162609 /nfs/dbraw/zinc/16/26/09/365162609.db2.gz IQRKZDUUQSHHHM-UHFFFAOYSA-N 2 2 258.329 1.082 20 30 CDEDLP N#Cc1csc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000332336073 204606784 /nfs/dbraw/zinc/60/67/84/204606784.db2.gz RCJJKWAKKPYAGX-GFCCVEGCSA-N 2 2 265.382 1.166 20 30 CDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000361010704 374032289 /nfs/dbraw/zinc/03/22/89/374032289.db2.gz DYKCLWGZFAWBNJ-SFHVURJKSA-N 2 2 298.434 1.770 20 30 CDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000361010704 374032294 /nfs/dbraw/zinc/03/22/94/374032294.db2.gz DYKCLWGZFAWBNJ-SFHVURJKSA-N 2 2 298.434 1.770 20 30 CDEDLP C=CC[C@@H](C)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342802236 374494694 /nfs/dbraw/zinc/49/46/94/374494694.db2.gz JRHVTVNDKWVNJI-CYBMUJFWSA-N 2 2 268.401 1.958 20 30 CDEDLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328951049 376019396 /nfs/dbraw/zinc/01/93/96/376019396.db2.gz LLGFNSPNZCGZIX-GFCCVEGCSA-N 2 2 294.424 1.451 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000247377491 377105231 /nfs/dbraw/zinc/10/52/31/377105231.db2.gz KXVFHAVQOIFWHG-ZBFHGGJFSA-N 2 2 282.428 1.499 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000247377491 377105241 /nfs/dbraw/zinc/10/52/41/377105241.db2.gz KXVFHAVQOIFWHG-ZBFHGGJFSA-N 2 2 282.428 1.499 20 30 CDEDLP Cc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)ccc1C#N ZINC000444002232 250071738 /nfs/dbraw/zinc/07/17/38/250071738.db2.gz FEDGYAXHRBGYOB-OAHLLOKOSA-N 2 2 261.369 1.269 20 30 CDEDLP CCCNC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000104154721 390485101 /nfs/dbraw/zinc/48/51/01/390485101.db2.gz VJRSFLMYWATAJT-SNVBAGLBSA-N 2 2 254.403 1.665 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158693553 390935100 /nfs/dbraw/zinc/93/51/00/390935100.db2.gz OYUIAXZFAMCBOE-HUUCEWRRSA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158693553 390935101 /nfs/dbraw/zinc/93/51/01/390935101.db2.gz OYUIAXZFAMCBOE-HUUCEWRRSA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158693553 390935102 /nfs/dbraw/zinc/93/51/02/390935102.db2.gz OYUIAXZFAMCBOE-HUUCEWRRSA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158693553 390935103 /nfs/dbraw/zinc/93/51/03/390935103.db2.gz OYUIAXZFAMCBOE-HUUCEWRRSA-N 2 2 292.427 1.165 20 30 CDEDLP C#CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000192227952 130399096 /nfs/dbraw/zinc/39/90/96/130399096.db2.gz VFYQVHYXPXFZSF-UHFFFAOYSA-N 2 2 299.418 1.204 20 30 CDEDLP C#CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000192227952 130399100 /nfs/dbraw/zinc/39/91/00/130399100.db2.gz VFYQVHYXPXFZSF-UHFFFAOYSA-N 2 2 299.418 1.204 20 30 CDEDLP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@H](C)N1)c1ccco1 ZINC000262673046 391810457 /nfs/dbraw/zinc/81/04/57/391810457.db2.gz RXRWAIGPQMJVJD-NWDGAFQWSA-N 2 2 264.373 1.600 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000263738178 131319156 /nfs/dbraw/zinc/31/91/56/131319156.db2.gz AQKSGDYBDUSYCF-UHFFFAOYSA-N 2 2 296.374 1.926 20 30 CDEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C#N)o1 ZINC000347778739 153663134 /nfs/dbraw/zinc/66/31/34/153663134.db2.gz OJUPGNQPCVSZJJ-GFCCVEGCSA-N 2 2 263.341 1.352 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128107568 260372925 /nfs/dbraw/zinc/37/29/25/260372925.db2.gz PKSBGYPPPPGISJ-UHFFFAOYSA-N 2 2 291.439 1.651 20 30 CDEDLP CC(C)[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCOCC1 ZINC000161485890 261248675 /nfs/dbraw/zinc/24/86/75/261248675.db2.gz LQOVOBREFASXQN-HNNXBMFYSA-N 2 2 290.411 1.770 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000491019465 261297519 /nfs/dbraw/zinc/29/75/19/261297519.db2.gz AMLWGPVSKPGMLP-OWCLPIDISA-N 2 2 291.439 1.178 20 30 CDEDLP CC(C)(C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912374 261450340 /nfs/dbraw/zinc/45/03/40/261450340.db2.gz DCYUITARHNDXNT-UHFFFAOYSA-N 2 2 272.356 1.470 20 30 CDEDLP C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364993859 262266554 /nfs/dbraw/zinc/26/65/54/262266554.db2.gz IYPVECBQRBYLMX-AWEZNQCLSA-N 2 2 294.443 1.372 20 30 CDEDLP C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364993859 262266555 /nfs/dbraw/zinc/26/65/55/262266555.db2.gz IYPVECBQRBYLMX-AWEZNQCLSA-N 2 2 294.443 1.372 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)nc1 ZINC000569546148 316800141 /nfs/dbraw/zinc/80/01/41/316800141.db2.gz DJADXACZOOPLTF-UHFFFAOYSA-N 2 2 267.336 1.987 20 30 CDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CC1)c1ccsc1 ZINC000261877465 328142973 /nfs/dbraw/zinc/14/29/73/328142973.db2.gz QFQPJXJWVYLRPW-NSHDSACASA-N 2 2 252.387 1.418 20 30 CDEDLP COCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000273572691 328205226 /nfs/dbraw/zinc/20/52/26/328205226.db2.gz LDRVRRFGHAULRJ-UHFFFAOYSA-N 2 2 265.357 1.422 20 30 CDEDLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000579369644 324171814 /nfs/dbraw/zinc/17/18/14/324171814.db2.gz IMEGJJIRNWGKMX-XJKSGUPXSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000579369644 324171817 /nfs/dbraw/zinc/17/18/17/324171817.db2.gz IMEGJJIRNWGKMX-XJKSGUPXSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000579369644 324171820 /nfs/dbraw/zinc/17/18/20/324171820.db2.gz IMEGJJIRNWGKMX-XJKSGUPXSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000579369644 324171821 /nfs/dbraw/zinc/17/18/21/324171821.db2.gz IMEGJJIRNWGKMX-XJKSGUPXSA-N 2 2 275.396 1.864 20 30 CDEDLP C[C@@H]1C[NH+]=C(NC[C@H](c2ccc(F)cc2)[NH+](C)C)N1 ZINC000262662937 330025258 /nfs/dbraw/zinc/02/52/58/330025258.db2.gz NJERIRNHSRJCAD-ZWNOBZJWSA-N 2 2 264.348 1.366 20 30 CDEDLP C=CCC[NH2+][C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001752888159 1161406830 /nfs/dbraw/zinc/40/68/30/1161406830.db2.gz NRZVCYHOMXTILL-LBPRGKRZSA-N 2 2 272.352 1.618 20 30 CDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)C[C@@H]1C ZINC000347041744 527754242 /nfs/dbraw/zinc/75/42/42/527754242.db2.gz BJHVPPIWSJORTQ-UONOGXRCSA-N 2 2 292.427 1.353 20 30 CDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)C[C@@H]1C ZINC000347041744 527754248 /nfs/dbraw/zinc/75/42/48/527754248.db2.gz BJHVPPIWSJORTQ-UONOGXRCSA-N 2 2 292.427 1.353 20 30 CDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)C[C@@H]1C ZINC000347041744 527754250 /nfs/dbraw/zinc/75/42/50/527754250.db2.gz BJHVPPIWSJORTQ-UONOGXRCSA-N 2 2 292.427 1.353 20 30 CDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)C[C@@H]1C ZINC000347041744 527754253 /nfs/dbraw/zinc/75/42/53/527754253.db2.gz BJHVPPIWSJORTQ-UONOGXRCSA-N 2 2 292.427 1.353 20 30 CDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000729682653 574820384 /nfs/dbraw/zinc/82/03/84/574820384.db2.gz XWUOHMRNFWMZHG-GXTWGEPZSA-N 2 2 259.353 1.771 20 30 CDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000729682653 574820386 /nfs/dbraw/zinc/82/03/86/574820386.db2.gz XWUOHMRNFWMZHG-GXTWGEPZSA-N 2 2 259.353 1.771 20 30 CDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000729682654 574820895 /nfs/dbraw/zinc/82/08/95/574820895.db2.gz XWUOHMRNFWMZHG-JSGCOSHPSA-N 2 2 259.353 1.771 20 30 CDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000729682654 574820896 /nfs/dbraw/zinc/82/08/96/574820896.db2.gz XWUOHMRNFWMZHG-JSGCOSHPSA-N 2 2 259.353 1.771 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000732139120 575081262 /nfs/dbraw/zinc/08/12/62/575081262.db2.gz LPTMHJFHTRLUFP-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000732139120 575081265 /nfs/dbraw/zinc/08/12/65/575081265.db2.gz LPTMHJFHTRLUFP-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC ZINC000732139120 575081270 /nfs/dbraw/zinc/08/12/70/575081270.db2.gz LPTMHJFHTRLUFP-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CCC(C)(C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000767058352 576156657 /nfs/dbraw/zinc/15/66/57/576156657.db2.gz SHIWDSJEOYTDCE-UHFFFAOYSA-N 2 2 293.455 1.520 20 30 CDEDLP C#CCC(C)(C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000767058352 576156658 /nfs/dbraw/zinc/15/66/58/576156658.db2.gz SHIWDSJEOYTDCE-UHFFFAOYSA-N 2 2 293.455 1.520 20 30 CDEDLP C#CC[NH+](CC#CC)C/C=C\C[N@H+](CC#C)CC#CC ZINC000744410523 576679400 /nfs/dbraw/zinc/67/94/00/576679400.db2.gz LTFPCPHTIKRDPE-QXMHVHEDSA-N 2 2 266.388 1.460 20 30 CDEDLP C#CC[NH+](CC#CC)C/C=C\C[N@@H+](CC#C)CC#CC ZINC000744410523 576679402 /nfs/dbraw/zinc/67/94/02/576679402.db2.gz LTFPCPHTIKRDPE-QXMHVHEDSA-N 2 2 266.388 1.460 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000764150403 576782571 /nfs/dbraw/zinc/78/25/71/576782571.db2.gz KQKWHILHGSJIGZ-UHFFFAOYSA-N 2 2 271.324 1.324 20 30 CDEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758241337 577089254 /nfs/dbraw/zinc/08/92/54/577089254.db2.gz UCBPJWGOCBEYBZ-UHFFFAOYSA-N 2 2 285.351 1.205 20 30 CDEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cccc(C#N)c1=O ZINC000758241337 577089257 /nfs/dbraw/zinc/08/92/57/577089257.db2.gz UCBPJWGOCBEYBZ-UHFFFAOYSA-N 2 2 285.351 1.205 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767052 613271044 /nfs/dbraw/zinc/27/10/44/613271044.db2.gz QHYHBBZPQPPRGB-KGLIPLIRSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767052 613271045 /nfs/dbraw/zinc/27/10/45/613271045.db2.gz QHYHBBZPQPPRGB-KGLIPLIRSA-N 2 2 290.411 1.745 20 30 CDEDLP C#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977376128 613297259 /nfs/dbraw/zinc/29/72/59/613297259.db2.gz ZLLBAAMXXOGVPE-HNNXBMFYSA-N 2 2 291.439 1.178 20 30 CDEDLP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977376128 613297260 /nfs/dbraw/zinc/29/72/60/613297260.db2.gz ZLLBAAMXXOGVPE-HNNXBMFYSA-N 2 2 291.439 1.178 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179407 613335200 /nfs/dbraw/zinc/33/52/00/613335200.db2.gz YECPWANIOFNWFF-OCCSQVGLSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179407 613335201 /nfs/dbraw/zinc/33/52/01/613335201.db2.gz YECPWANIOFNWFF-OCCSQVGLSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972330108 613368080 /nfs/dbraw/zinc/36/80/80/613368080.db2.gz DNYWBFSYXSYXPU-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000972330108 613368081 /nfs/dbraw/zinc/36/80/81/613368081.db2.gz DNYWBFSYXSYXPU-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000972330108 613368082 /nfs/dbraw/zinc/36/80/82/613368082.db2.gz DNYWBFSYXSYXPU-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000972330108 613368083 /nfs/dbraw/zinc/36/80/83/613368083.db2.gz DNYWBFSYXSYXPU-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969380349 613371678 /nfs/dbraw/zinc/37/16/78/613371678.db2.gz DMXYQMMBSBOWKH-YPMHNXCESA-N 2 2 285.819 1.270 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969380349 613371679 /nfs/dbraw/zinc/37/16/79/613371679.db2.gz DMXYQMMBSBOWKH-YPMHNXCESA-N 2 2 285.819 1.270 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981353508 613384142 /nfs/dbraw/zinc/38/41/42/613384142.db2.gz KFUGWCGBYBLGOF-VXGBXAGGSA-N 2 2 296.802 1.722 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968597350 613517542 /nfs/dbraw/zinc/51/75/42/613517542.db2.gz WFSOLIYDUNOQTK-IUODEOHRSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968597350 613517543 /nfs/dbraw/zinc/51/75/43/613517543.db2.gz WFSOLIYDUNOQTK-IUODEOHRSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971650310 613612453 /nfs/dbraw/zinc/61/24/53/613612453.db2.gz BIBMWPIGVUFMKO-CYBMUJFWSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971650310 613612454 /nfs/dbraw/zinc/61/24/54/613612454.db2.gz BIBMWPIGVUFMKO-CYBMUJFWSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971650310 613612457 /nfs/dbraw/zinc/61/24/57/613612457.db2.gz BIBMWPIGVUFMKO-CYBMUJFWSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971650310 613612458 /nfs/dbraw/zinc/61/24/58/613612458.db2.gz BIBMWPIGVUFMKO-CYBMUJFWSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000971777757 613626265 /nfs/dbraw/zinc/62/62/65/613626265.db2.gz GRIIOPVAOBJUAX-AWEZNQCLSA-N 2 2 290.411 1.645 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000971777757 613626268 /nfs/dbraw/zinc/62/62/68/613626268.db2.gz GRIIOPVAOBJUAX-AWEZNQCLSA-N 2 2 290.411 1.645 20 30 CDEDLP C[C@H](CC[NH2+]Cc1cnc2c(C#N)cnn2c1)[NH+](C)C ZINC000895300544 619530273 /nfs/dbraw/zinc/53/02/73/619530273.db2.gz YQYWMJMPFYUKHM-LLVKDONJSA-N 2 2 272.356 1.031 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488902 1162638785 /nfs/dbraw/zinc/63/87/85/1162638785.db2.gz ZDWBJSWUZJKSAE-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001131822786 1163065697 /nfs/dbraw/zinc/06/56/97/1163065697.db2.gz UNYATWPZGFXQFA-OAHLLOKOSA-N 2 2 297.443 1.159 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001131822786 1163065703 /nfs/dbraw/zinc/06/57/03/1163065703.db2.gz UNYATWPZGFXQFA-OAHLLOKOSA-N 2 2 297.443 1.159 20 30 CDEDLP N#Cc1ccccc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079943 1163165992 /nfs/dbraw/zinc/16/59/92/1163165992.db2.gz UIWGKFWJJUOBGS-UHFFFAOYSA-N 2 2 297.362 1.051 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113156408 1162116511 /nfs/dbraw/zinc/11/65/11/1162116511.db2.gz CZIKQFZOGJRADX-UHFFFAOYSA-N 2 2 279.428 1.581 20 30 CDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209866939 1167357899 /nfs/dbraw/zinc/35/78/99/1167357899.db2.gz WPJPYYHAXRDLMO-GJZGRUSLSA-N 2 2 288.395 1.438 20 30 CDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001574852618 1171027878 /nfs/dbraw/zinc/02/78/78/1171027878.db2.gz WNOJOOQDCBLSLK-LLVKDONJSA-N 2 2 280.759 1.018 20 30 CDEDLP C=CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001588664249 1173098006 /nfs/dbraw/zinc/09/80/06/1173098006.db2.gz VUEQXQLKDFIGOZ-UHFFFAOYSA-N 2 2 298.394 1.607 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001752751184 1184904695 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N#CCc1ccc[nH+]c1NCc1ncn2c1C[NH2+]CCC2 ZINC001169238713 927869642 /nfs/dbraw/zinc/86/96/42/927869642.db2.gz YURATIUEBMPNMW-UHFFFAOYSA-N 2 2 282.351 1.450 20 30 CDEDLP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134376480 929711733 /nfs/dbraw/zinc/71/17/33/929711733.db2.gz NQXSBUWPWWHTNZ-STQMWFEESA-N 2 2 298.390 1.762 20 30 CDEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968552 929984157 /nfs/dbraw/zinc/98/41/57/929984157.db2.gz CSTAYVROVDTKAO-QWHCGFSZSA-N 2 2 284.363 1.454 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(C#N)c1 ZINC000133808914 930459127 /nfs/dbraw/zinc/45/91/27/930459127.db2.gz MAJDTDIMBCQUQF-IUODEOHRSA-N 2 2 259.353 1.415 20 30 CDEDLP C#C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000819283736 930779825 /nfs/dbraw/zinc/77/98/25/930779825.db2.gz ITAPRVVJZPNUPK-IAGOWNOFSA-N 2 2 274.408 1.727 20 30 CDEDLP C#C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000819283736 930779830 /nfs/dbraw/zinc/77/98/30/930779830.db2.gz ITAPRVVJZPNUPK-IAGOWNOFSA-N 2 2 274.408 1.727 20 30 CDEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146771023 932297062 /nfs/dbraw/zinc/29/70/62/932297062.db2.gz LLBTYJOLXLTWOZ-QWHCGFSZSA-N 2 2 264.373 1.332 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146778138 932299694 /nfs/dbraw/zinc/29/96/94/932299694.db2.gz HTEKRNTVVUBKET-VXGBXAGGSA-N 2 2 284.791 1.509 20 30 CDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959569 933202242 /nfs/dbraw/zinc/20/22/42/933202242.db2.gz RFBVBXYDLCVXPK-MCIONIFRSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959569 933202245 /nfs/dbraw/zinc/20/22/45/933202245.db2.gz RFBVBXYDLCVXPK-MCIONIFRSA-N 2 2 299.846 1.802 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001038446307 935745199 /nfs/dbraw/zinc/74/51/99/935745199.db2.gz ZEYFGZJHLSNNEO-JKSUJKDBSA-N 2 2 291.439 1.321 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001038446307 935745201 /nfs/dbraw/zinc/74/52/01/935745201.db2.gz ZEYFGZJHLSNNEO-JKSUJKDBSA-N 2 2 291.439 1.321 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001038446307 935745205 /nfs/dbraw/zinc/74/52/05/935745205.db2.gz ZEYFGZJHLSNNEO-JKSUJKDBSA-N 2 2 291.439 1.321 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038446307 935745206 /nfs/dbraw/zinc/74/52/06/935745206.db2.gz ZEYFGZJHLSNNEO-JKSUJKDBSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC2)C1 ZINC001042959823 935832047 /nfs/dbraw/zinc/83/20/47/935832047.db2.gz FZRFSYVDAZDRMJ-INIZCTEOSA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC2)C1 ZINC001042959823 935832051 /nfs/dbraw/zinc/83/20/51/935832051.db2.gz FZRFSYVDAZDRMJ-INIZCTEOSA-N 2 2 289.423 1.027 20 30 CDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046419876 935949635 /nfs/dbraw/zinc/94/96/35/935949635.db2.gz AIFXDVZTKBRERZ-KRWDZBQOSA-N 2 2 296.374 1.780 20 30 CDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046419876 935949637 /nfs/dbraw/zinc/94/96/37/935949637.db2.gz AIFXDVZTKBRERZ-KRWDZBQOSA-N 2 2 296.374 1.780 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001049190497 936122800 /nfs/dbraw/zinc/12/28/00/936122800.db2.gz TUKBDCFCDMDJIE-OKILXGFUSA-N 2 2 288.395 1.227 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001049190497 936122803 /nfs/dbraw/zinc/12/28/03/936122803.db2.gz TUKBDCFCDMDJIE-OKILXGFUSA-N 2 2 288.395 1.227 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158061986 938579354 /nfs/dbraw/zinc/57/93/54/938579354.db2.gz MPEJOCQFRHDFSQ-UHFFFAOYSA-N 2 2 286.379 1.928 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205804933 939937854 /nfs/dbraw/zinc/93/78/54/939937854.db2.gz JLRORTPLYDNKAM-UHFFFAOYSA-N 2 2 276.384 1.287 20 30 CDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970704 940118917 /nfs/dbraw/zinc/11/89/17/940118917.db2.gz COSYLQLBAJWRLS-UHFFFAOYSA-N 2 2 276.384 1.287 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208298869 940315606 /nfs/dbraw/zinc/31/56/06/940315606.db2.gz CJBGGSBAQRGNFD-HNNXBMFYSA-N 2 2 290.411 1.889 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208298869 940315609 /nfs/dbraw/zinc/31/56/09/940315609.db2.gz CJBGGSBAQRGNFD-HNNXBMFYSA-N 2 2 290.411 1.889 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450005 940755245 /nfs/dbraw/zinc/75/52/45/940755245.db2.gz GTMZIXWAKAEAMV-HUUCEWRRSA-N 2 2 288.395 1.123 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450005 940755248 /nfs/dbraw/zinc/75/52/48/940755248.db2.gz GTMZIXWAKAEAMV-HUUCEWRRSA-N 2 2 288.395 1.123 20 30 CDEDLP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C[NH3+])C1CC1 ZINC000402185836 940890912 /nfs/dbraw/zinc/89/09/12/940890912.db2.gz ZPGWBDOSFZCYDL-LSDHHAIUSA-N 2 2 259.353 1.261 20 30 CDEDLP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C[NH3+])C1CC1 ZINC000402185836 940890915 /nfs/dbraw/zinc/89/09/15/940890915.db2.gz ZPGWBDOSFZCYDL-LSDHHAIUSA-N 2 2 259.353 1.261 20 30 CDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215706017 940903507 /nfs/dbraw/zinc/90/35/07/940903507.db2.gz VTKALBNPUCSYST-QLFBSQMISA-N 2 2 288.395 1.294 20 30 CDEDLP N#Cc1oc2ccccc2c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218627031 941246573 /nfs/dbraw/zinc/24/65/73/941246573.db2.gz AIYYTHWNFWOYQW-UVWXRNBGSA-N 2 2 296.330 1.465 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642030 943924393 /nfs/dbraw/zinc/92/43/93/943924393.db2.gz GJWPHOKHVZJKJE-LSDHHAIUSA-N 2 2 297.418 1.222 20 30 CDEDLP Cc1cc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)c[nH+]c1N ZINC001245536260 947729609 /nfs/dbraw/zinc/72/96/09/947729609.db2.gz HHFKXZHCKWOVNN-UHFFFAOYSA-N 2 2 293.374 1.921 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246593225 948329420 /nfs/dbraw/zinc/32/94/20/948329420.db2.gz NJZLSZCMKVCJNQ-YESZJQIVSA-N 2 2 284.407 1.147 20 30 CDEDLP C[C@@H]1C[C@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC[NH2+]1 ZINC001246831225 948464334 /nfs/dbraw/zinc/46/43/34/948464334.db2.gz CQPDYLPJFHGBDG-UKRRQHHQSA-N 2 2 285.395 1.216 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480299128 971663046 /nfs/dbraw/zinc/66/30/46/971663046.db2.gz ZACLEYXCGOSHAJ-LBPRGKRZSA-N 2 2 296.802 1.533 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001332375224 957538288 /nfs/dbraw/zinc/53/82/88/957538288.db2.gz SILMPMZVZOLSPJ-AWEZNQCLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001332375224 957538289 /nfs/dbraw/zinc/53/82/89/957538289.db2.gz SILMPMZVZOLSPJ-AWEZNQCLSA-N 2 2 277.412 1.027 20 30 CDEDLP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001494738187 972299076 /nfs/dbraw/zinc/29/90/76/972299076.db2.gz OKRGTCUGXDUIJA-INIZCTEOSA-N 2 2 287.407 1.495 20 30 CDEDLP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001494738187 972299082 /nfs/dbraw/zinc/29/90/82/972299082.db2.gz OKRGTCUGXDUIJA-INIZCTEOSA-N 2 2 287.407 1.495 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494738187 972299090 /nfs/dbraw/zinc/29/90/90/972299090.db2.gz OKRGTCUGXDUIJA-INIZCTEOSA-N 2 2 287.407 1.495 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494738187 972299098 /nfs/dbraw/zinc/29/90/98/972299098.db2.gz OKRGTCUGXDUIJA-INIZCTEOSA-N 2 2 287.407 1.495 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001367516489 958093030 /nfs/dbraw/zinc/09/30/30/958093030.db2.gz DESYEBPIZTWOLP-UHFFFAOYSA-N 2 2 299.846 1.758 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001367516489 958093051 /nfs/dbraw/zinc/09/30/51/958093051.db2.gz DESYEBPIZTWOLP-UHFFFAOYSA-N 2 2 299.846 1.758 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001437703888 963136821 /nfs/dbraw/zinc/13/68/21/963136821.db2.gz QMTCAQCWIRTAQB-ZDUSSCGKSA-N 2 2 296.802 1.525 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001437703888 963136827 /nfs/dbraw/zinc/13/68/27/963136827.db2.gz QMTCAQCWIRTAQB-ZDUSSCGKSA-N 2 2 296.802 1.525 20 30 CDEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001341925030 963582261 /nfs/dbraw/zinc/58/22/61/963582261.db2.gz QESAYTSOMPNLHK-HNNXBMFYSA-N 2 2 285.391 1.115 20 30 CDEDLP C#CC[NH+]1CCC(OC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001526629377 968581266 /nfs/dbraw/zinc/58/12/66/968581266.db2.gz DHYICYBFMFKEPP-ZDUSSCGKSA-N 2 2 275.352 1.475 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001574920849 1171049050 /nfs/dbraw/zinc/04/90/50/1171049050.db2.gz LVCSSOSVLRFPQQ-OAHLLOKOSA-N 2 2 291.395 1.433 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)Cc2[nH]cc(CC)[nH+]2)CC1 ZINC000635531982 361777677 /nfs/dbraw/zinc/77/76/77/361777677.db2.gz XMCUPTKUFVKUET-UHFFFAOYSA-N 2 2 290.411 1.671 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257814 342098828 /nfs/dbraw/zinc/09/88/28/342098828.db2.gz GEKQJGQWPRQUQY-ZIAGYGMSSA-N 2 2 289.383 1.281 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257814 342098829 /nfs/dbraw/zinc/09/88/29/342098829.db2.gz GEKQJGQWPRQUQY-ZIAGYGMSSA-N 2 2 289.383 1.281 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631017 342215387 /nfs/dbraw/zinc/21/53/87/342215387.db2.gz SRQXMAWEUUIEMY-DZGCQCFKSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631017 342215388 /nfs/dbraw/zinc/21/53/88/342215388.db2.gz SRQXMAWEUUIEMY-DZGCQCFKSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081631017 342215389 /nfs/dbraw/zinc/21/53/89/342215389.db2.gz SRQXMAWEUUIEMY-DZGCQCFKSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081631017 342215390 /nfs/dbraw/zinc/21/53/90/342215390.db2.gz SRQXMAWEUUIEMY-DZGCQCFKSA-N 2 2 279.428 1.341 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598600581 343850710 /nfs/dbraw/zinc/85/07/10/343850710.db2.gz UQNRKAWYGPDMPZ-CHWSQXEVSA-N 2 2 276.384 1.510 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598600581 343850714 /nfs/dbraw/zinc/85/07/14/343850714.db2.gz UQNRKAWYGPDMPZ-CHWSQXEVSA-N 2 2 276.384 1.510 20 30 CDEDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602530837 344456215 /nfs/dbraw/zinc/45/62/15/344456215.db2.gz UCSBARQGQFOTJW-CYBMUJFWSA-N 2 2 258.369 1.775 20 30 CDEDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602530837 344456217 /nfs/dbraw/zinc/45/62/17/344456217.db2.gz UCSBARQGQFOTJW-CYBMUJFWSA-N 2 2 258.369 1.775 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602507390 344458061 /nfs/dbraw/zinc/45/80/61/344458061.db2.gz IBUBEDNEJZRMDW-GJZGRUSLSA-N 2 2 267.417 1.873 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602507390 344458063 /nfs/dbraw/zinc/45/80/63/344458063.db2.gz IBUBEDNEJZRMDW-GJZGRUSLSA-N 2 2 267.417 1.873 20 30 CDEDLP COCC[C@H]([NH3+])C[NH2+][C@H](CCC#N)c1ccccc1 ZINC001579002574 1172076787 /nfs/dbraw/zinc/07/67/87/1172076787.db2.gz SCJZQLMXCBJFMU-LSDHHAIUSA-N 2 2 261.369 1.985 20 30 CDEDLP CC#CC[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000641769291 365832795 /nfs/dbraw/zinc/83/27/95/365832795.db2.gz RYTZYNCXMQEZBI-HNNXBMFYSA-N 2 2 269.348 1.736 20 30 CDEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000602515660 350117160 /nfs/dbraw/zinc/11/71/60/350117160.db2.gz AYXKZPHDEOHZBP-SWLSCSKDSA-N 2 2 256.353 1.670 20 30 CDEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000602515660 350117163 /nfs/dbraw/zinc/11/71/63/350117163.db2.gz AYXKZPHDEOHZBP-SWLSCSKDSA-N 2 2 256.353 1.670 20 30 CDEDLP CCN(CC)C(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000264110549 362968931 /nfs/dbraw/zinc/96/89/31/362968931.db2.gz OVJLXTJHZRDHLZ-CQSZACIVSA-N 2 2 262.401 1.946 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264151942 362981161 /nfs/dbraw/zinc/98/11/61/362981161.db2.gz ZKVYYBAOJXOQBZ-SNVBAGLBSA-N 2 2 275.356 1.045 20 30 CDEDLP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000572595099 366062227 /nfs/dbraw/zinc/06/22/27/366062227.db2.gz SUWCFADMHBKLKZ-CABCVRRESA-N 2 2 262.401 1.997 20 30 CDEDLP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000572595099 366062230 /nfs/dbraw/zinc/06/22/30/366062230.db2.gz SUWCFADMHBKLKZ-CABCVRRESA-N 2 2 262.401 1.997 20 30 CDEDLP CCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000264540652 363090498 /nfs/dbraw/zinc/09/04/98/363090498.db2.gz BPKWVKPLKMAQFR-UHFFFAOYSA-N 2 2 277.368 1.300 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000266568787 359342915 /nfs/dbraw/zinc/34/29/15/359342915.db2.gz BYBJYPDOHCVKPG-INIZCTEOSA-N 2 2 293.455 1.851 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000266568787 359342917 /nfs/dbraw/zinc/34/29/17/359342917.db2.gz BYBJYPDOHCVKPG-INIZCTEOSA-N 2 2 293.455 1.851 20 30 CDEDLP C#CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000274615713 359511671 /nfs/dbraw/zinc/51/16/71/359511671.db2.gz QDXOWZFCRNPMNY-KRWDZBQOSA-N 2 2 299.418 1.503 20 30 CDEDLP C#CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000274615713 359511677 /nfs/dbraw/zinc/51/16/77/359511677.db2.gz QDXOWZFCRNPMNY-KRWDZBQOSA-N 2 2 299.418 1.503 20 30 CDEDLP C=CCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365831325 360476540 /nfs/dbraw/zinc/47/65/40/360476540.db2.gz ANVHYTWNLOOIQP-CQSZACIVSA-N 2 2 279.428 1.627 20 30 CDEDLP C=CCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365831325 360476544 /nfs/dbraw/zinc/47/65/44/360476544.db2.gz ANVHYTWNLOOIQP-CQSZACIVSA-N 2 2 279.428 1.627 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246134083 360797379 /nfs/dbraw/zinc/79/73/79/360797379.db2.gz CEQAASNIQGZGEG-CABCVRRESA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246134083 360797382 /nfs/dbraw/zinc/79/73/82/360797382.db2.gz CEQAASNIQGZGEG-CABCVRRESA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000368610533 369536600 /nfs/dbraw/zinc/53/66/00/369536600.db2.gz FRFFGZNPSQMBKP-UHFFFAOYSA-N 2 2 292.427 1.309 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000368610533 369536604 /nfs/dbraw/zinc/53/66/04/369536604.db2.gz FRFFGZNPSQMBKP-UHFFFAOYSA-N 2 2 292.427 1.309 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000578186527 372334975 /nfs/dbraw/zinc/33/49/75/372334975.db2.gz UZWLNCICFZUFHH-LBPRGKRZSA-N 2 2 280.334 1.930 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000578186526 372336606 /nfs/dbraw/zinc/33/66/06/372336606.db2.gz UZWLNCICFZUFHH-GFCCVEGCSA-N 2 2 280.334 1.930 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000404116856 374147672 /nfs/dbraw/zinc/14/76/72/374147672.db2.gz GDNOQPDPZMKPLI-CQSZACIVSA-N 2 2 277.343 1.242 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000404116856 374147678 /nfs/dbraw/zinc/14/76/78/374147678.db2.gz GDNOQPDPZMKPLI-CQSZACIVSA-N 2 2 277.343 1.242 20 30 CDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC1(C#N)CC1 ZINC000343640843 378941469 /nfs/dbraw/zinc/94/14/69/378941469.db2.gz FBXVRAMTCAAXOD-UHFFFAOYSA-N 2 2 264.417 1.248 20 30 CDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC1(C#N)CC1 ZINC000343640843 378941474 /nfs/dbraw/zinc/94/14/74/378941474.db2.gz FBXVRAMTCAAXOD-UHFFFAOYSA-N 2 2 264.417 1.248 20 30 CDEDLP CN(CC[N@H+](C)CC1(C#N)CC1)C1CC[NH+](C)CC1 ZINC000343640843 378941477 /nfs/dbraw/zinc/94/14/77/378941477.db2.gz FBXVRAMTCAAXOD-UHFFFAOYSA-N 2 2 264.417 1.248 20 30 CDEDLP CN(CC[N@@H+](C)CC1(C#N)CC1)C1CC[NH+](C)CC1 ZINC000343640843 378941483 /nfs/dbraw/zinc/94/14/83/378941483.db2.gz FBXVRAMTCAAXOD-UHFFFAOYSA-N 2 2 264.417 1.248 20 30 CDEDLP C#CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289330369 197298171 /nfs/dbraw/zinc/29/81/71/197298171.db2.gz HPLRYYNTMBBBIL-IAGOWNOFSA-N 2 2 272.392 1.796 20 30 CDEDLP C#CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289330369 197298173 /nfs/dbraw/zinc/29/81/73/197298173.db2.gz HPLRYYNTMBBBIL-IAGOWNOFSA-N 2 2 272.392 1.796 20 30 CDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCOCC1)c1ccc(F)cc1 ZINC000104167857 390485499 /nfs/dbraw/zinc/48/54/99/390485499.db2.gz QJHVBLWICIXJFR-AWEZNQCLSA-N 2 2 294.374 1.075 20 30 CDEDLP CO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000226411600 391002567 /nfs/dbraw/zinc/00/25/67/391002567.db2.gz KAGDMFFNMZJXBX-CABCVRRESA-N 2 2 259.353 1.496 20 30 CDEDLP CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000226411600 391002569 /nfs/dbraw/zinc/00/25/69/391002569.db2.gz KAGDMFFNMZJXBX-CABCVRRESA-N 2 2 259.353 1.496 20 30 CDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000359952257 391626695 /nfs/dbraw/zinc/62/66/95/391626695.db2.gz KPECQZDHOBDXMH-AWEZNQCLSA-N 2 2 281.444 1.873 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nn1 ZINC000657375219 414242016 /nfs/dbraw/zinc/24/20/16/414242016.db2.gz FLLGMYZDHSGKQK-QWHCGFSZSA-N 2 2 263.389 1.427 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nn1 ZINC000657375219 414242024 /nfs/dbraw/zinc/24/20/24/414242024.db2.gz FLLGMYZDHSGKQK-QWHCGFSZSA-N 2 2 263.389 1.427 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000040490873 174292049 /nfs/dbraw/zinc/29/20/49/174292049.db2.gz HCDMYXYDIUZQIO-MRXNPFEDSA-N 2 2 285.391 1.031 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000491039059 261305789 /nfs/dbraw/zinc/30/57/89/261305789.db2.gz MLBXUZIOZGZFSI-UONOGXRCSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000491039059 261305790 /nfs/dbraw/zinc/30/57/90/261305790.db2.gz MLBXUZIOZGZFSI-UONOGXRCSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000491039059 261305792 /nfs/dbraw/zinc/30/57/92/261305792.db2.gz MLBXUZIOZGZFSI-UONOGXRCSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000491039059 261305793 /nfs/dbraw/zinc/30/57/93/261305793.db2.gz MLBXUZIOZGZFSI-UONOGXRCSA-N 2 2 296.436 1.065 20 30 CDEDLP CN(C(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000273352083 263015962 /nfs/dbraw/zinc/01/59/62/263015962.db2.gz QMIMPLZGQUZZNJ-CQSZACIVSA-N 2 2 260.385 1.698 20 30 CDEDLP C=CCOc1ccc(C[NH2+]CC[NH2+]C)cc1OC ZINC000414819609 263054488 /nfs/dbraw/zinc/05/44/88/263054488.db2.gz HYSHQMMDECOCFY-UHFFFAOYSA-N 2 2 250.342 1.569 20 30 CDEDLP CCC#C[C@@H](C)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653689939 424431973 /nfs/dbraw/zinc/43/19/73/424431973.db2.gz YZHPRWBAFVANNK-HUUCEWRRSA-N 2 2 264.413 1.973 20 30 CDEDLP CCC#C[C@@H](C)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653689939 424431980 /nfs/dbraw/zinc/43/19/80/424431980.db2.gz YZHPRWBAFVANNK-HUUCEWRRSA-N 2 2 264.413 1.973 20 30 CDEDLP C=CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000357881906 266381952 /nfs/dbraw/zinc/38/19/52/266381952.db2.gz PQYCDYXUCHWBJL-UHFFFAOYSA-N 2 2 294.443 1.372 20 30 CDEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843284 267274294 /nfs/dbraw/zinc/27/42/94/267274294.db2.gz CKHLFPDIXQYQSC-CZUORRHYSA-N 2 2 292.427 1.068 20 30 CDEDLP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843284 267274296 /nfs/dbraw/zinc/27/42/96/267274296.db2.gz CKHLFPDIXQYQSC-CZUORRHYSA-N 2 2 292.427 1.068 20 30 CDEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843284 267274300 /nfs/dbraw/zinc/27/43/00/267274300.db2.gz CKHLFPDIXQYQSC-CZUORRHYSA-N 2 2 292.427 1.068 20 30 CDEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843284 267274302 /nfs/dbraw/zinc/27/43/02/267274302.db2.gz CKHLFPDIXQYQSC-CZUORRHYSA-N 2 2 292.427 1.068 20 30 CDEDLP CC[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N1CCCC1 ZINC000171605572 329077967 /nfs/dbraw/zinc/07/79/67/329077967.db2.gz PILQUXUMMVDSRG-UHFFFAOYSA-N 2 2 282.432 1.159 20 30 CDEDLP CC[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N1CCCC1 ZINC000171605572 329077968 /nfs/dbraw/zinc/07/79/68/329077968.db2.gz PILQUXUMMVDSRG-UHFFFAOYSA-N 2 2 282.432 1.159 20 30 CDEDLP C=CCNC(=[NH+]C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262021346 329998308 /nfs/dbraw/zinc/99/83/08/329998308.db2.gz YVKDCQYFWFUJFV-QWHCGFSZSA-N 2 2 261.373 1.527 20 30 CDEDLP C=CCCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000515467569 330477633 /nfs/dbraw/zinc/47/76/33/330477633.db2.gz DDGNVPUULFUOCG-MCIONIFRSA-N 2 2 256.390 1.012 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](CC)CC[C@@H]2C)CC1 ZINC000490923661 332129730 /nfs/dbraw/zinc/12/97/30/332129730.db2.gz LMUUNQGNBLTNOU-LSDHHAIUSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](CC)CC[C@@H]2C)CC1 ZINC000490923661 332129731 /nfs/dbraw/zinc/12/97/31/332129731.db2.gz LMUUNQGNBLTNOU-LSDHHAIUSA-N 2 2 277.412 1.027 20 30 CDEDLP CC1([NH+]2CCOCC2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000528727115 333453868 /nfs/dbraw/zinc/45/38/68/333453868.db2.gz PXWOAHSDBOBMQO-CABCVRRESA-N 2 2 277.412 1.865 20 30 CDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCCC#N)CC1 ZINC000175731101 335196833 /nfs/dbraw/zinc/19/68/33/335196833.db2.gz QTAUTEWHLWAMKT-UHFFFAOYSA-N 2 2 295.431 1.005 20 30 CDEDLP C=CC(C)(C)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576864344 335257354 /nfs/dbraw/zinc/25/73/54/335257354.db2.gz SISZMHHEUWLPOK-MJBXVCDLSA-N 2 2 270.417 1.258 20 30 CDEDLP C=CC(C)(C)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576864344 335257355 /nfs/dbraw/zinc/25/73/55/335257355.db2.gz SISZMHHEUWLPOK-MJBXVCDLSA-N 2 2 270.417 1.258 20 30 CDEDLP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755239503 1159810559 /nfs/dbraw/zinc/81/05/59/1159810559.db2.gz CPMXZFXOORGKNT-ZIAGYGMSSA-N 2 2 290.411 1.433 20 30 CDEDLP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001753720450 1159894771 /nfs/dbraw/zinc/89/47/71/1159894771.db2.gz ABVSTAREQXFMCI-ZDUSSCGKSA-N 2 2 278.400 1.365 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001113563485 1162223281 /nfs/dbraw/zinc/22/32/81/1162223281.db2.gz NCIQXKNADUJPSI-UHFFFAOYSA-N 2 2 253.390 1.049 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812951 613313705 /nfs/dbraw/zinc/31/37/05/613313705.db2.gz PEWWAFBRWPLPFI-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812951 613313707 /nfs/dbraw/zinc/31/37/07/613313707.db2.gz PEWWAFBRWPLPFI-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000948771663 613316323 /nfs/dbraw/zinc/31/63/23/613316323.db2.gz SGPSMQLQZCHNEC-UHFFFAOYSA-N 2 2 265.401 1.191 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000948771663 613316325 /nfs/dbraw/zinc/31/63/25/613316325.db2.gz SGPSMQLQZCHNEC-UHFFFAOYSA-N 2 2 265.401 1.191 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000957779800 613319103 /nfs/dbraw/zinc/31/91/03/613319103.db2.gz ZUBGKZVIYMGTAU-OAHLLOKOSA-N 2 2 279.428 1.581 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000957779800 613319105 /nfs/dbraw/zinc/31/91/05/613319105.db2.gz ZUBGKZVIYMGTAU-OAHLLOKOSA-N 2 2 279.428 1.581 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179408 613327880 /nfs/dbraw/zinc/32/78/80/613327880.db2.gz YECPWANIOFNWFF-TZMCWYRMSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179408 613327881 /nfs/dbraw/zinc/32/78/81/613327881.db2.gz YECPWANIOFNWFF-TZMCWYRMSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948090610 613328051 /nfs/dbraw/zinc/32/80/51/613328051.db2.gz LXNGEOVHJSMGBN-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948090610 613328053 /nfs/dbraw/zinc/32/80/53/613328053.db2.gz LXNGEOVHJSMGBN-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCC[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000957514447 613502653 /nfs/dbraw/zinc/50/26/53/613502653.db2.gz CXWONCQXKHDLJL-UHFFFAOYSA-N 2 2 276.384 1.073 20 30 CDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969977857 613662873 /nfs/dbraw/zinc/66/28/73/613662873.db2.gz ALNSKTUCVLJIKO-CHWSQXEVSA-N 2 2 288.395 1.068 20 30 CDEDLP CCC[NH+]=C(NCC[N@H+](C)CCOC)NC(C)(C)C ZINC000912509325 630049635 /nfs/dbraw/zinc/04/96/35/630049635.db2.gz CAWMZZKVOQZYJX-UHFFFAOYSA-N 2 2 272.437 1.308 20 30 CDEDLP CCC[NH+]=C(NCC[N@@H+](C)CCOC)NC(C)(C)C ZINC000912509325 630049639 /nfs/dbraw/zinc/04/96/39/630049639.db2.gz CAWMZZKVOQZYJX-UHFFFAOYSA-N 2 2 272.437 1.308 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481099 1162636416 /nfs/dbraw/zinc/63/64/16/1162636416.db2.gz KCEJRKNWYNQGPR-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488901 1162638213 /nfs/dbraw/zinc/63/82/13/1162638213.db2.gz ZDWBJSWUZJKSAE-CYBMUJFWSA-N 2 2 276.384 1.118 20 30 CDEDLP C#CCC[N@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001752018763 1159302261 /nfs/dbraw/zinc/30/22/61/1159302261.db2.gz QDDNVYJTLRSZAY-UHFFFAOYSA-N 2 2 284.363 1.638 20 30 CDEDLP C#CCC[N@@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001752018763 1159302269 /nfs/dbraw/zinc/30/22/69/1159302269.db2.gz QDDNVYJTLRSZAY-UHFFFAOYSA-N 2 2 284.363 1.638 20 30 CDEDLP CCCCCCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082062 1163165777 /nfs/dbraw/zinc/16/57/77/1163165777.db2.gz IWARPDILCCLXME-UHFFFAOYSA-N 2 2 280.416 1.949 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133189540 1163601430 /nfs/dbraw/zinc/60/14/30/1163601430.db2.gz AFNUIRBFGLMCTR-STQMWFEESA-N 2 2 276.384 1.212 20 30 CDEDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC001144086113 1164249814 /nfs/dbraw/zinc/24/98/14/1164249814.db2.gz LUIXOCSJWWUYPZ-UHFFFAOYSA-N 2 2 293.374 1.979 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713831460 1178782083 /nfs/dbraw/zinc/78/20/83/1178782083.db2.gz CDEPDVBSWILOEI-CHWSQXEVSA-N 2 2 262.357 1.211 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713831460 1178782090 /nfs/dbraw/zinc/78/20/90/1178782090.db2.gz CDEPDVBSWILOEI-CHWSQXEVSA-N 2 2 262.357 1.211 20 30 CDEDLP C=CC[NH2+]C/C=C/CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001754154437 1185485880 /nfs/dbraw/zinc/48/58/80/1185485880.db2.gz AAAYZJKESKRYLQ-ONEGZZNKSA-N 2 2 296.374 1.934 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001754252898 1185531268 /nfs/dbraw/zinc/53/12/68/1185531268.db2.gz OHHBUIVNEDGWKO-GFCCVEGCSA-N 2 2 264.373 1.023 20 30 CDEDLP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001754795541 1185733726 /nfs/dbraw/zinc/73/37/26/1185733726.db2.gz PSLBPKMBHOANFD-STQMWFEESA-N 2 2 296.374 1.636 20 30 CDEDLP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001755040195 1185795497 /nfs/dbraw/zinc/79/54/97/1185795497.db2.gz MEDDUFVTUXSZHP-AWEZNQCLSA-N 2 2 290.411 1.412 20 30 CDEDLP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001755040195 1185795501 /nfs/dbraw/zinc/79/55/01/1185795501.db2.gz MEDDUFVTUXSZHP-AWEZNQCLSA-N 2 2 290.411 1.412 20 30 CDEDLP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001755516248 1185977697 /nfs/dbraw/zinc/97/76/97/1185977697.db2.gz KYHPRGPBTYEZAV-ZIAGYGMSSA-N 2 2 290.411 1.486 20 30 CDEDLP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001755516248 1185977700 /nfs/dbraw/zinc/97/77/00/1185977700.db2.gz KYHPRGPBTYEZAV-ZIAGYGMSSA-N 2 2 290.411 1.486 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001755748185 1186056381 /nfs/dbraw/zinc/05/63/81/1186056381.db2.gz RSMFHXZHGRFQBO-UONOGXRCSA-N 2 2 290.411 1.711 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999035483 754424595 /nfs/dbraw/zinc/42/45/95/754424595.db2.gz NBARIQIMMZBUOQ-GFCCVEGCSA-N 2 2 262.357 1.109 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000883131011 755282778 /nfs/dbraw/zinc/28/27/78/755282778.db2.gz AVEXWZYPSPCOKQ-UHFFFAOYSA-N 2 2 292.452 1.254 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000995891404 754041373 /nfs/dbraw/zinc/04/13/73/754041373.db2.gz KBAKSHCGOUJUEN-AWEZNQCLSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000995891404 754041377 /nfs/dbraw/zinc/04/13/77/754041377.db2.gz KBAKSHCGOUJUEN-AWEZNQCLSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042379393 754088075 /nfs/dbraw/zinc/08/80/75/754088075.db2.gz KUFYZMUTJPDWDH-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042379393 754088079 /nfs/dbraw/zinc/08/80/79/754088079.db2.gz KUFYZMUTJPDWDH-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001036048853 754566164 /nfs/dbraw/zinc/56/61/64/754566164.db2.gz SVOVPPZFKPMRBO-HIFRSBDPSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001036048853 754566174 /nfs/dbraw/zinc/56/61/74/754566174.db2.gz SVOVPPZFKPMRBO-HIFRSBDPSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001044818934 754602534 /nfs/dbraw/zinc/60/25/34/754602534.db2.gz IUUROXJNLHAAIE-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC000986428204 754712492 /nfs/dbraw/zinc/71/24/92/754712492.db2.gz VHKYTLRKUBXQOX-DGCLKSJQSA-N 2 2 284.363 1.942 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001036124950 754790214 /nfs/dbraw/zinc/79/02/14/754790214.db2.gz JUTBMDGSVUSBBJ-CABCVRRESA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263856 754826440 /nfs/dbraw/zinc/82/64/40/754826440.db2.gz YZTOPNZQHHGZIB-ZDUSSCGKSA-N 2 2 297.830 1.415 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263856 754826443 /nfs/dbraw/zinc/82/64/43/754826443.db2.gz YZTOPNZQHHGZIB-ZDUSSCGKSA-N 2 2 297.830 1.415 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034248764 754854897 /nfs/dbraw/zinc/85/48/97/754854897.db2.gz ATUAAYYGURQVQA-CVEARBPZSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034248764 754854898 /nfs/dbraw/zinc/85/48/98/754854898.db2.gz ATUAAYYGURQVQA-CVEARBPZSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](C(C)C)C1 ZINC001034248764 754854900 /nfs/dbraw/zinc/85/49/00/754854900.db2.gz ATUAAYYGURQVQA-CVEARBPZSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](C(C)C)C1 ZINC001034248764 754854902 /nfs/dbraw/zinc/85/49/02/754854902.db2.gz ATUAAYYGURQVQA-CVEARBPZSA-N 2 2 291.439 1.463 20 30 CDEDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000925622514 755008949 /nfs/dbraw/zinc/00/89/49/755008949.db2.gz POZPNIIBLIUJAA-DOMZBBRYSA-N 2 2 259.353 1.819 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295507 755051117 /nfs/dbraw/zinc/05/11/17/755051117.db2.gz NUPDVOUVSGDBPT-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295507 755051120 /nfs/dbraw/zinc/05/11/20/755051120.db2.gz NUPDVOUVSGDBPT-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000883131011 755282771 /nfs/dbraw/zinc/28/27/71/755282771.db2.gz AVEXWZYPSPCOKQ-UHFFFAOYSA-N 2 2 292.452 1.254 20 30 CDEDLP N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000219232111 755426617 /nfs/dbraw/zinc/42/66/17/755426617.db2.gz VAPRXUIPINCVLU-IXDOHACOSA-N 2 2 285.391 1.808 20 30 CDEDLP N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000219232111 755426622 /nfs/dbraw/zinc/42/66/22/755426622.db2.gz VAPRXUIPINCVLU-IXDOHACOSA-N 2 2 285.391 1.808 20 30 CDEDLP C#CCN(C(=O)CNc1cccc[nH+]1)C1CC[NH+](C)CC1 ZINC000886573734 755803518 /nfs/dbraw/zinc/80/35/18/755803518.db2.gz VCRQSASWXMUXHD-UHFFFAOYSA-N 2 2 286.379 1.050 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027448720 755878265 /nfs/dbraw/zinc/87/82/65/755878265.db2.gz LRGAWTCDLRXDGO-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027448720 755878267 /nfs/dbraw/zinc/87/82/67/755878267.db2.gz LRGAWTCDLRXDGO-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027448720 755878268 /nfs/dbraw/zinc/87/82/68/755878268.db2.gz LRGAWTCDLRXDGO-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027448720 755878269 /nfs/dbraw/zinc/87/82/69/755878269.db2.gz LRGAWTCDLRXDGO-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038393866 755979240 /nfs/dbraw/zinc/97/92/40/755979240.db2.gz KKNTVFVIWBJGLL-OAHLLOKOSA-N 2 2 289.423 1.076 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038393866 755979251 /nfs/dbraw/zinc/97/92/51/755979251.db2.gz KKNTVFVIWBJGLL-OAHLLOKOSA-N 2 2 289.423 1.076 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001032664044 756313509 /nfs/dbraw/zinc/31/35/09/756313509.db2.gz OLQNBIDQFATUBJ-HRCADAONSA-N 2 2 291.439 1.720 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001032664044 756313517 /nfs/dbraw/zinc/31/35/17/756313517.db2.gz OLQNBIDQFATUBJ-HRCADAONSA-N 2 2 291.439 1.720 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001032664044 756313533 /nfs/dbraw/zinc/31/35/33/756313533.db2.gz OLQNBIDQFATUBJ-HRCADAONSA-N 2 2 291.439 1.720 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001042325264 756531412 /nfs/dbraw/zinc/53/14/12/756531412.db2.gz DOLMCJUJXITRGA-DZGCQCFKSA-N 2 2 288.395 1.369 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001042325264 756531414 /nfs/dbraw/zinc/53/14/14/756531414.db2.gz DOLMCJUJXITRGA-DZGCQCFKSA-N 2 2 288.395 1.369 20 30 CDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999535739 756569653 /nfs/dbraw/zinc/56/96/53/756569653.db2.gz LQTVWARPKUFSEO-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817919899 756752309 /nfs/dbraw/zinc/75/23/09/756752309.db2.gz WJGMEOCGASUQJT-IUODEOHRSA-N 2 2 259.353 1.677 20 30 CDEDLP C=CC[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985720208 756829098 /nfs/dbraw/zinc/82/90/98/756829098.db2.gz YYKVOFDJISMOAL-UHFFFAOYSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985720208 756829099 /nfs/dbraw/zinc/82/90/99/756829099.db2.gz YYKVOFDJISMOAL-UHFFFAOYSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015690700 756888595 /nfs/dbraw/zinc/88/85/95/756888595.db2.gz PLZMTQANKMRMRK-QWHCGFSZSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015690700 756888597 /nfs/dbraw/zinc/88/85/97/756888597.db2.gz PLZMTQANKMRMRK-QWHCGFSZSA-N 2 2 288.395 1.596 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001071689984 757068674 /nfs/dbraw/zinc/06/86/74/757068674.db2.gz SPUQMWVTAMBUMD-HIFRSBDPSA-N 2 2 288.395 1.184 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001071689984 757068685 /nfs/dbraw/zinc/06/86/85/757068685.db2.gz SPUQMWVTAMBUMD-HIFRSBDPSA-N 2 2 288.395 1.184 20 30 CDEDLP C=CCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001050681313 757228238 /nfs/dbraw/zinc/22/82/38/757228238.db2.gz FTFQKDOMRUDYHV-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001036270478 757917389 /nfs/dbraw/zinc/91/73/89/757917389.db2.gz ZLMDPRCIYZIYTE-QWHCGFSZSA-N 2 2 288.395 1.147 20 30 CDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041786407 758188160 /nfs/dbraw/zinc/18/81/60/758188160.db2.gz GMOMOFVXAVWDNB-INIZCTEOSA-N 2 2 288.395 1.073 20 30 CDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041786407 758188188 /nfs/dbraw/zinc/18/81/88/758188188.db2.gz GMOMOFVXAVWDNB-INIZCTEOSA-N 2 2 288.395 1.073 20 30 CDEDLP C#C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000848910156 758224632 /nfs/dbraw/zinc/22/46/32/758224632.db2.gz HKYZLOBRDBAVCB-HUUCEWRRSA-N 2 2 250.386 1.487 20 30 CDEDLP CCC1([NH+]2CCC2)CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000886718376 758509326 /nfs/dbraw/zinc/50/93/26/758509326.db2.gz YEZIRLRFEWKPHV-CQSZACIVSA-N 2 2 265.401 1.865 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042379392 758509869 /nfs/dbraw/zinc/50/98/69/758509869.db2.gz KUFYZMUTJPDWDH-GJZGRUSLSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042379392 758509870 /nfs/dbraw/zinc/50/98/70/758509870.db2.gz KUFYZMUTJPDWDH-GJZGRUSLSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001007534686 758828526 /nfs/dbraw/zinc/82/85/26/758828526.db2.gz MAORYDFJBVCLEF-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001007534686 758828527 /nfs/dbraw/zinc/82/85/27/758828527.db2.gz MAORYDFJBVCLEF-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001007534686 758828528 /nfs/dbraw/zinc/82/85/28/758828528.db2.gz MAORYDFJBVCLEF-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001007534686 758828529 /nfs/dbraw/zinc/82/85/29/758828529.db2.gz MAORYDFJBVCLEF-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981695 912429105 /nfs/dbraw/zinc/42/91/05/912429105.db2.gz IIPVEPZCOSCPAX-OCCSQVGLSA-N 2 2 276.384 1.118 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981695 912429113 /nfs/dbraw/zinc/42/91/13/912429113.db2.gz IIPVEPZCOSCPAX-OCCSQVGLSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881260 913821935 /nfs/dbraw/zinc/82/19/35/913821935.db2.gz MORLSZORIBQEFH-ZDUSSCGKSA-N 2 2 278.400 1.793 20 30 CDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829556 914280628 /nfs/dbraw/zinc/28/06/28/914280628.db2.gz NRXFSRFVNFBTIC-CQSZACIVSA-N 2 2 276.384 1.171 20 30 CDEDLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001149135242 899054651 /nfs/dbraw/zinc/05/46/51/899054651.db2.gz TYHLLVGKZXETTA-UHFFFAOYSA-N 2 2 296.374 1.018 20 30 CDEDLP COc1c(NC(=[NH2+])SCC[NH3+])ccc(F)c1C#N ZINC001167915544 902235391 /nfs/dbraw/zinc/23/53/91/902235391.db2.gz IGNNQGDLHMPCPE-UHFFFAOYSA-N 2 2 268.317 1.745 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204792176 906637753 /nfs/dbraw/zinc/63/77/53/906637753.db2.gz UYSWAMLYLKBLQC-MRXNPFEDSA-N 2 2 272.396 1.960 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204792176 906637762 /nfs/dbraw/zinc/63/77/62/906637762.db2.gz UYSWAMLYLKBLQC-MRXNPFEDSA-N 2 2 272.396 1.960 20 30 CDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185380746 919563573 /nfs/dbraw/zinc/56/35/73/919563573.db2.gz MPHUNGJPBHMBJN-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185786727 919751395 /nfs/dbraw/zinc/75/13/95/919751395.db2.gz AFCVXQOQXHWTKY-LSDHHAIUSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108035508 920320791 /nfs/dbraw/zinc/32/07/91/920320791.db2.gz HCQRQWIRQCCNHJ-MRXNPFEDSA-N 2 2 297.443 1.110 20 30 CDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108035508 920320824 /nfs/dbraw/zinc/32/08/24/920320824.db2.gz HCQRQWIRQCCNHJ-MRXNPFEDSA-N 2 2 297.443 1.110 20 30 CDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108035508 920320844 /nfs/dbraw/zinc/32/08/44/920320844.db2.gz HCQRQWIRQCCNHJ-MRXNPFEDSA-N 2 2 297.443 1.110 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001490898188 936669562 /nfs/dbraw/zinc/66/95/62/936669562.db2.gz YQJDECGBVBDHMH-HAQNSBGRSA-N 2 2 282.775 1.332 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100934841 936947232 /nfs/dbraw/zinc/94/72/32/936947232.db2.gz AWRQTXBPJATDGY-UHFFFAOYSA-N 2 2 290.411 1.413 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001085405922 925934701 /nfs/dbraw/zinc/93/47/01/925934701.db2.gz FPJZRAUILBQVCH-CHWSQXEVSA-N 2 2 276.384 1.464 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151294 931714094 /nfs/dbraw/zinc/71/40/94/931714094.db2.gz HABWBOJUJJRWAY-CYBMUJFWSA-N 2 2 276.384 1.240 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151294 931714097 /nfs/dbraw/zinc/71/40/97/931714097.db2.gz HABWBOJUJJRWAY-CYBMUJFWSA-N 2 2 276.384 1.240 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001091078719 931803488 /nfs/dbraw/zinc/80/34/88/931803488.db2.gz JFJJLQULVKWIHI-FIYWTHMPSA-N 2 2 274.368 1.184 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001091078719 931803493 /nfs/dbraw/zinc/80/34/93/931803493.db2.gz JFJJLQULVKWIHI-FIYWTHMPSA-N 2 2 274.368 1.184 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712163 932287784 /nfs/dbraw/zinc/28/77/84/932287784.db2.gz AKXCWWJDJCXMKD-GJZGRUSLSA-N 2 2 290.411 1.560 20 30 CDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751546 937670591 /nfs/dbraw/zinc/67/05/91/937670591.db2.gz OYDOUIPOFHPSSF-ZIAGYGMSSA-N 2 2 292.427 1.991 20 30 CDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751546 937670593 /nfs/dbraw/zinc/67/05/93/937670593.db2.gz OYDOUIPOFHPSSF-ZIAGYGMSSA-N 2 2 292.427 1.991 20 30 CDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751546 937670595 /nfs/dbraw/zinc/67/05/95/937670595.db2.gz OYDOUIPOFHPSSF-ZIAGYGMSSA-N 2 2 292.427 1.991 20 30 CDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751546 937670598 /nfs/dbraw/zinc/67/05/98/937670598.db2.gz OYDOUIPOFHPSSF-ZIAGYGMSSA-N 2 2 292.427 1.991 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001490835801 933777658 /nfs/dbraw/zinc/77/76/58/933777658.db2.gz RYWDMVRVCGPXBB-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NCC1CC1 ZINC000080489678 934701980 /nfs/dbraw/zinc/70/19/80/934701980.db2.gz ZGCNFZXALDDGAV-UHFFFAOYSA-N 2 2 275.400 1.337 20 30 CDEDLP C#CCSCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796309420 935019205 /nfs/dbraw/zinc/01/92/05/935019205.db2.gz KYXFUCZOGDZZBW-UHFFFAOYSA-N 2 2 269.439 1.661 20 30 CDEDLP C[NH+](C)C1(CNc2ncc(C#N)cc2C#N)CC[NH+](C)CC1 ZINC001156181929 938331002 /nfs/dbraw/zinc/33/10/02/938331002.db2.gz JDKQKBKELGTCDU-UHFFFAOYSA-N 2 2 298.394 1.263 20 30 CDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248140 938469074 /nfs/dbraw/zinc/46/90/74/938469074.db2.gz JGKTUZDARCGCBH-OAHLLOKOSA-N 2 2 290.411 1.513 20 30 CDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248140 938469076 /nfs/dbraw/zinc/46/90/76/938469076.db2.gz JGKTUZDARCGCBH-OAHLLOKOSA-N 2 2 290.411 1.513 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3ccc(C#N)cc32)CC1 ZINC001157914583 938561797 /nfs/dbraw/zinc/56/17/97/938561797.db2.gz IJNJXZDASFKOFV-UHFFFAOYSA-N 2 2 295.350 1.096 20 30 CDEDLP C#CC[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964266 938762549 /nfs/dbraw/zinc/76/25/49/938762549.db2.gz HUILWIBKAJBIGO-UHFFFAOYSA-N 2 2 286.379 1.114 20 30 CDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964266 938762550 /nfs/dbraw/zinc/76/25/50/938762550.db2.gz HUILWIBKAJBIGO-UHFFFAOYSA-N 2 2 286.379 1.114 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161214825 938879857 /nfs/dbraw/zinc/87/98/57/938879857.db2.gz HLNFPYGRVUISCQ-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989882 938950582 /nfs/dbraw/zinc/95/05/82/938950582.db2.gz SWAFZXMZADYLNM-UHFFFAOYSA-N 2 2 274.368 1.208 20 30 CDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989882 938950583 /nfs/dbraw/zinc/95/05/83/938950583.db2.gz SWAFZXMZADYLNM-UHFFFAOYSA-N 2 2 274.368 1.208 20 30 CDEDLP C=CCc1cc(C)c[nH+]c1NCc1nnc2n1CCC[NH2+]C2 ZINC001163011908 939176163 /nfs/dbraw/zinc/17/61/63/939176163.db2.gz QCQZDLKBDBDEOR-UHFFFAOYSA-N 2 2 298.394 1.815 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001207620858 940222261 /nfs/dbraw/zinc/22/22/61/940222261.db2.gz AIFSXHMCQBZIAB-HZSPNIEDSA-N 2 2 252.406 1.150 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001207620858 940222258 /nfs/dbraw/zinc/22/22/58/940222258.db2.gz AIFSXHMCQBZIAB-HZSPNIEDSA-N 2 2 252.406 1.150 20 30 CDEDLP C#CCCC[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001209267173 940455170 /nfs/dbraw/zinc/45/51/70/940455170.db2.gz LLTBRUOCQJDEMF-UHFFFAOYSA-N 2 2 283.379 1.399 20 30 CDEDLP C#CCCC[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001209267173 940455171 /nfs/dbraw/zinc/45/51/71/940455171.db2.gz LLTBRUOCQJDEMF-UHFFFAOYSA-N 2 2 283.379 1.399 20 30 CDEDLP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000402192009 940890903 /nfs/dbraw/zinc/89/09/03/940890903.db2.gz BBKMWHXSOZGPOJ-UHOFOFEASA-N 2 2 273.380 1.651 20 30 CDEDLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000402192009 940890906 /nfs/dbraw/zinc/89/09/06/940890906.db2.gz BBKMWHXSOZGPOJ-UHOFOFEASA-N 2 2 273.380 1.651 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855118 940911244 /nfs/dbraw/zinc/91/12/44/940911244.db2.gz MFKNMTCGPCWMJF-GZBFAFLISA-N 2 2 290.411 1.601 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855118 940911246 /nfs/dbraw/zinc/91/12/46/940911246.db2.gz MFKNMTCGPCWMJF-GZBFAFLISA-N 2 2 290.411 1.601 20 30 CDEDLP CC(C)C[C@H](C#N)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220702774 941465004 /nfs/dbraw/zinc/46/50/04/941465004.db2.gz GGNXJMMGRYODOM-ZIAGYGMSSA-N 2 2 274.368 1.313 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788114 941550359 /nfs/dbraw/zinc/55/03/59/941550359.db2.gz HVCIWISVCJOTBD-CHWSQXEVSA-N 2 2 285.819 1.223 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788114 941550360 /nfs/dbraw/zinc/55/03/60/941550360.db2.gz HVCIWISVCJOTBD-CHWSQXEVSA-N 2 2 285.819 1.223 20 30 CDEDLP N#Cc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235073482 944044452 /nfs/dbraw/zinc/04/44/52/944044452.db2.gz RGOVCGDPODGADF-HZPDHXFCSA-N 2 2 255.365 1.927 20 30 CDEDLP N#Cc1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235073482 944044460 /nfs/dbraw/zinc/04/44/60/944044460.db2.gz RGOVCGDPODGADF-HZPDHXFCSA-N 2 2 255.365 1.927 20 30 CDEDLP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235140947 944069752 /nfs/dbraw/zinc/06/97/52/944069752.db2.gz IGHULUXRWATSGG-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235140947 944069759 /nfs/dbraw/zinc/06/97/59/944069759.db2.gz IGHULUXRWATSGG-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235140947 944069766 /nfs/dbraw/zinc/06/97/66/944069766.db2.gz IGHULUXRWATSGG-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235140947 944069770 /nfs/dbraw/zinc/06/97/70/944069770.db2.gz IGHULUXRWATSGG-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](CCC#N)CC2 ZINC001277938555 944129720 /nfs/dbraw/zinc/12/97/20/944129720.db2.gz AHNUBRGWGRWJQE-UHFFFAOYSA-N 2 2 281.400 1.308 20 30 CDEDLP COCCOC[N@H+]1CCC2(C1)CC[NH+](CCC#N)CC2 ZINC001277938555 944129721 /nfs/dbraw/zinc/12/97/21/944129721.db2.gz AHNUBRGWGRWJQE-UHFFFAOYSA-N 2 2 281.400 1.308 20 30 CDEDLP C[C@H]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[NH2+]1 ZINC001246329510 948109315 /nfs/dbraw/zinc/10/93/15/948109315.db2.gz PTGRBYFHMBGOSK-GXTWGEPZSA-N 2 2 259.353 1.667 20 30 CDEDLP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246710469 948413179 /nfs/dbraw/zinc/41/31/79/948413179.db2.gz WSJVRHXMBAWMPA-DOTOQJQBSA-N 2 2 291.439 1.772 20 30 CDEDLP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246710469 948413182 /nfs/dbraw/zinc/41/31/82/948413182.db2.gz WSJVRHXMBAWMPA-DOTOQJQBSA-N 2 2 291.439 1.772 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@@H+](C3CC[NH2+]CC3)C2)C1=O ZINC001246706664 948413549 /nfs/dbraw/zinc/41/35/49/948413549.db2.gz WPBKUVWYUNMPTD-INIZCTEOSA-N 2 2 277.412 1.239 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@H+](C3CC[NH2+]CC3)C2)C1=O ZINC001246706664 948413552 /nfs/dbraw/zinc/41/35/52/948413552.db2.gz WPBKUVWYUNMPTD-INIZCTEOSA-N 2 2 277.412 1.239 20 30 CDEDLP C=CCOC[C@H](O)C[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001252483749 951347779 /nfs/dbraw/zinc/34/77/79/951347779.db2.gz XDFDVJPPKVRDCM-IAGOWNOFSA-N 2 2 292.423 1.833 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001372567030 973023984 /nfs/dbraw/zinc/02/39/84/973023984.db2.gz KMMSKGOSWJOENT-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001372567030 973023995 /nfs/dbraw/zinc/02/39/95/973023995.db2.gz KMMSKGOSWJOENT-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001372567030 973024007 /nfs/dbraw/zinc/02/40/07/973024007.db2.gz KMMSKGOSWJOENT-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001372567030 973024020 /nfs/dbraw/zinc/02/40/20/973024020.db2.gz KMMSKGOSWJOENT-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133355031 1163652208 /nfs/dbraw/zinc/65/22/08/1163652208.db2.gz UZRLQSHGLNZGPA-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000590603519 342577809 /nfs/dbraw/zinc/57/78/09/342577809.db2.gz ZZKNLQRGAHUEGP-MRXNPFEDSA-N 2 2 275.396 1.691 20 30 CDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000590603519 342577810 /nfs/dbraw/zinc/57/78/10/342577810.db2.gz ZZKNLQRGAHUEGP-MRXNPFEDSA-N 2 2 275.396 1.691 20 30 CDEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000590603519 342577811 /nfs/dbraw/zinc/57/78/11/342577811.db2.gz ZZKNLQRGAHUEGP-MRXNPFEDSA-N 2 2 275.396 1.691 20 30 CDEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000590603519 342577812 /nfs/dbraw/zinc/57/78/12/342577812.db2.gz ZZKNLQRGAHUEGP-MRXNPFEDSA-N 2 2 275.396 1.691 20 30 CDEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000590598990 342579717 /nfs/dbraw/zinc/57/97/17/342579717.db2.gz BAJIFXLWGXMKRI-UHFFFAOYSA-N 2 2 295.346 1.599 20 30 CDEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000590598990 342579718 /nfs/dbraw/zinc/57/97/18/342579718.db2.gz BAJIFXLWGXMKRI-UHFFFAOYSA-N 2 2 295.346 1.599 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000593019649 342758197 /nfs/dbraw/zinc/75/81/97/342758197.db2.gz XBHLNUNJOYKFLP-GXTWGEPZSA-N 2 2 278.400 1.093 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000593019649 342758198 /nfs/dbraw/zinc/75/81/98/342758198.db2.gz XBHLNUNJOYKFLP-GXTWGEPZSA-N 2 2 278.400 1.093 20 30 CDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1C[C@H]1C ZINC000083899430 342377735 /nfs/dbraw/zinc/37/77/35/342377735.db2.gz BVHHXNCDTDKEOC-YPMHNXCESA-N 2 2 292.452 1.680 20 30 CDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1C[C@H]1C ZINC000083899430 342377736 /nfs/dbraw/zinc/37/77/36/342377736.db2.gz BVHHXNCDTDKEOC-YPMHNXCESA-N 2 2 292.452 1.680 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000598590966 343837228 /nfs/dbraw/zinc/83/72/28/343837228.db2.gz VUBWQNKIKLRVOF-KBPBESRZSA-N 2 2 276.384 1.821 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000598590966 343837231 /nfs/dbraw/zinc/83/72/31/343837231.db2.gz VUBWQNKIKLRVOF-KBPBESRZSA-N 2 2 276.384 1.821 20 30 CDEDLP CO[C@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@@](C)(C[NH3+])C1 ZINC000600888099 349889052 /nfs/dbraw/zinc/88/90/52/349889052.db2.gz YEAVZNLGHDCCCV-HUUCEWRRSA-N 2 2 259.353 1.496 20 30 CDEDLP CO[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@](C)(C[NH3+])C1 ZINC000600888099 349889053 /nfs/dbraw/zinc/88/90/53/349889053.db2.gz YEAVZNLGHDCCCV-HUUCEWRRSA-N 2 2 259.353 1.496 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000602530308 344455435 /nfs/dbraw/zinc/45/54/35/344455435.db2.gz PFYSVYDWXRTWLF-ZIAGYGMSSA-N 2 2 265.401 1.769 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000602530308 344455437 /nfs/dbraw/zinc/45/54/37/344455437.db2.gz PFYSVYDWXRTWLF-ZIAGYGMSSA-N 2 2 265.401 1.769 20 30 CDEDLP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000602607124 344491232 /nfs/dbraw/zinc/49/12/32/344491232.db2.gz HGRPJEYZSHXTFF-UHFFFAOYSA-N 2 2 253.390 1.361 20 30 CDEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)NC(C)C ZINC000072594154 260276726 /nfs/dbraw/zinc/27/67/26/260276726.db2.gz FXOIKKXKKRIGQK-LLVKDONJSA-N 2 2 268.430 1.924 20 30 CDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449520253 362741967 /nfs/dbraw/zinc/74/19/67/362741967.db2.gz OZSPXPIOWDUKPI-SJORKVTESA-N 2 2 287.407 1.979 20 30 CDEDLP C=CCC[C@@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449702680 362767908 /nfs/dbraw/zinc/76/79/08/362767908.db2.gz ZSCAXEODWYNYBD-NSHDSACASA-N 2 2 269.414 1.621 20 30 CDEDLP C=C[C@H](CO)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000641774630 365843835 /nfs/dbraw/zinc/84/38/35/365843835.db2.gz NIYBJWONNJNXKC-CYBMUJFWSA-N 2 2 257.337 1.817 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000066242340 347479201 /nfs/dbraw/zinc/47/92/01/347479201.db2.gz MKCJNINWSZXOTQ-HNNXBMFYSA-N 2 2 274.412 1.942 20 30 CDEDLP CCCCCCNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264106039 362967927 /nfs/dbraw/zinc/96/79/27/362967927.db2.gz NQSJHLGKXXOJGB-UHFFFAOYSA-N 2 2 251.378 1.758 20 30 CDEDLP N#Cc1ccc(O[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)nc1 ZINC000292239122 198213567 /nfs/dbraw/zinc/21/35/67/198213567.db2.gz QBVXYXJUUQDUJR-OAHLLOKOSA-N 2 2 297.362 1.693 20 30 CDEDLP N#Cc1ccc(O[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)nc1 ZINC000292239122 198213569 /nfs/dbraw/zinc/21/35/69/198213569.db2.gz QBVXYXJUUQDUJR-OAHLLOKOSA-N 2 2 297.362 1.693 20 30 CDEDLP C=CC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121577624 356811456 /nfs/dbraw/zinc/81/14/56/356811456.db2.gz ACGYZPZNLLXGPB-CQSZACIVSA-N 2 2 288.395 1.237 20 30 CDEDLP C=CC[N@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121577624 356811460 /nfs/dbraw/zinc/81/14/60/356811460.db2.gz ACGYZPZNLLXGPB-CQSZACIVSA-N 2 2 288.395 1.237 20 30 CDEDLP C=CCNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000261881854 359077016 /nfs/dbraw/zinc/07/70/16/359077016.db2.gz RCXIAKHYUQGWIR-UHFFFAOYSA-N 2 2 280.416 1.112 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157505580 360896886 /nfs/dbraw/zinc/89/68/86/360896886.db2.gz UGLSNCOQTURTRQ-UHFFFAOYSA-N 2 2 279.428 1.603 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157505580 360896891 /nfs/dbraw/zinc/89/68/91/360896891.db2.gz UGLSNCOQTURTRQ-UHFFFAOYSA-N 2 2 279.428 1.603 20 30 CDEDLP CN(C)C(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000170913269 365162856 /nfs/dbraw/zinc/16/28/56/365162856.db2.gz KNBHVPNNMZALLU-GFCCVEGCSA-N 2 2 252.337 1.305 20 30 CDEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000330891054 203357326 /nfs/dbraw/zinc/35/73/26/203357326.db2.gz WUSLXTKGSRZCCK-WFASDCNBSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000330891054 203357330 /nfs/dbraw/zinc/35/73/30/203357330.db2.gz WUSLXTKGSRZCCK-WFASDCNBSA-N 2 2 259.353 1.275 20 30 CDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](C#N)CCC#N)CC[C@@H]21 ZINC000247979517 377189595 /nfs/dbraw/zinc/18/95/95/377189595.db2.gz MAEHCNJNNSPZNI-KFWWJZLASA-N 2 2 260.385 1.846 20 30 CDEDLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](C#N)CCC#N)CC[C@@H]21 ZINC000247979517 377189596 /nfs/dbraw/zinc/18/95/96/377189596.db2.gz MAEHCNJNNSPZNI-KFWWJZLASA-N 2 2 260.385 1.846 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](C#N)CCC#N)CC[C@@H]21 ZINC000247979517 377189601 /nfs/dbraw/zinc/18/96/01/377189601.db2.gz MAEHCNJNNSPZNI-KFWWJZLASA-N 2 2 260.385 1.846 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](C#N)CCC#N)CC[C@@H]21 ZINC000247979517 377189608 /nfs/dbraw/zinc/18/96/08/377189608.db2.gz MAEHCNJNNSPZNI-KFWWJZLASA-N 2 2 260.385 1.846 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252692467 377708292 /nfs/dbraw/zinc/70/82/92/377708292.db2.gz LYJFXXJYKWDOKB-OFQRWUPVSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252692467 377708296 /nfs/dbraw/zinc/70/82/96/377708296.db2.gz LYJFXXJYKWDOKB-OFQRWUPVSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000252692467 377708304 /nfs/dbraw/zinc/70/83/04/377708304.db2.gz LYJFXXJYKWDOKB-OFQRWUPVSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000252692467 377708306 /nfs/dbraw/zinc/70/83/06/377708306.db2.gz LYJFXXJYKWDOKB-OFQRWUPVSA-N 2 2 289.423 1.073 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000281237323 195162755 /nfs/dbraw/zinc/16/27/55/195162755.db2.gz FVABQKTXSHYYJG-UHFFFAOYSA-N 2 2 279.428 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281237323 195162757 /nfs/dbraw/zinc/16/27/57/195162757.db2.gz FVABQKTXSHYYJG-UHFFFAOYSA-N 2 2 279.428 1.605 20 30 CDEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CCCCC1 ZINC000303789506 391134522 /nfs/dbraw/zinc/13/45/22/391134522.db2.gz VKIZSTZOZMGMJN-UHFFFAOYSA-N 2 2 284.367 1.568 20 30 CDEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354222935 391411427 /nfs/dbraw/zinc/41/14/27/391411427.db2.gz KETRXELRISAXND-STQMWFEESA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354222935 391411430 /nfs/dbraw/zinc/41/14/30/391411430.db2.gz KETRXELRISAXND-STQMWFEESA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354222935 391411436 /nfs/dbraw/zinc/41/14/36/391411436.db2.gz KETRXELRISAXND-STQMWFEESA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354222935 391411439 /nfs/dbraw/zinc/41/14/39/391411439.db2.gz KETRXELRISAXND-STQMWFEESA-N 2 2 253.390 1.093 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C#N ZINC000191447292 130237893 /nfs/dbraw/zinc/23/78/93/130237893.db2.gz IBABFRCJZLLMNF-GDBMZVCRSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C#N ZINC000191447292 130237896 /nfs/dbraw/zinc/23/78/96/130237896.db2.gz IBABFRCJZLLMNF-GDBMZVCRSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000191447292 130237898 /nfs/dbraw/zinc/23/78/98/130237898.db2.gz IBABFRCJZLLMNF-GDBMZVCRSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C#N ZINC000191447292 130237901 /nfs/dbraw/zinc/23/79/01/130237901.db2.gz IBABFRCJZLLMNF-GDBMZVCRSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1C#N ZINC000191490565 130244702 /nfs/dbraw/zinc/24/47/02/130244702.db2.gz BJPMCYBWYTXDEI-CQSZACIVSA-N 2 2 269.352 1.758 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1C#N ZINC000191490565 130244703 /nfs/dbraw/zinc/24/47/03/130244703.db2.gz BJPMCYBWYTXDEI-CQSZACIVSA-N 2 2 269.352 1.758 20 30 CDEDLP [O-]C(NCC[NH+]1CCCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330210659 391813877 /nfs/dbraw/zinc/81/38/77/391813877.db2.gz INXRQLCZUMMBAS-CYBMUJFWSA-N 2 2 291.399 1.187 20 30 CDEDLP O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330210659 391813882 /nfs/dbraw/zinc/81/38/82/391813882.db2.gz INXRQLCZUMMBAS-CYBMUJFWSA-N 2 2 291.399 1.187 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1cccc(C#N)c1 ZINC000423095563 392958817 /nfs/dbraw/zinc/95/88/17/392958817.db2.gz FLPMHJXJKQUGEL-CZUORRHYSA-N 2 2 273.380 1.457 20 30 CDEDLP C=CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000661385789 424295944 /nfs/dbraw/zinc/29/59/44/424295944.db2.gz POBJIVMMUZUIRK-LSDHHAIUSA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000661385789 424295952 /nfs/dbraw/zinc/29/59/52/424295952.db2.gz POBJIVMMUZUIRK-LSDHHAIUSA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000661385789 424295958 /nfs/dbraw/zinc/29/59/58/424295958.db2.gz POBJIVMMUZUIRK-LSDHHAIUSA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000661385789 424295965 /nfs/dbraw/zinc/29/59/65/424295965.db2.gz POBJIVMMUZUIRK-LSDHHAIUSA-N 2 2 270.417 1.214 20 30 CDEDLP COC[C@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCC[NH2+]1 ZINC000423423390 277269620 /nfs/dbraw/zinc/26/96/20/277269620.db2.gz ZLBJQANYMIGXRE-DLBZAZTESA-N 2 2 285.391 1.904 20 30 CDEDLP C[C@H]1C[N@H+](CCC(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000345952300 300253894 /nfs/dbraw/zinc/25/38/94/300253894.db2.gz NEHNRLAXSGTHED-HOTGVXAUSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000345952300 300253896 /nfs/dbraw/zinc/25/38/96/300253896.db2.gz NEHNRLAXSGTHED-HOTGVXAUSA-N 2 2 292.471 1.884 20 30 CDEDLP C[NH+]=C(NCC(F)F)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262026549 328144078 /nfs/dbraw/zinc/14/40/78/328144078.db2.gz ZVGYFHNPIYOKJA-QWRGUYRKSA-N 2 2 285.342 1.607 20 30 CDEDLP CC(C)[NH+]1CCN(C2CC[NH+](CCC#N)CC2)CC1 ZINC000378324880 329046062 /nfs/dbraw/zinc/04/60/62/329046062.db2.gz YZNJLUFVAXKKCQ-UHFFFAOYSA-N 2 2 264.417 1.390 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000264472883 330061179 /nfs/dbraw/zinc/06/11/79/330061179.db2.gz JEMSPTRGYPRWKO-UHFFFAOYSA-N 2 2 262.357 1.040 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422861794 330158223 /nfs/dbraw/zinc/15/82/23/330158223.db2.gz OZRPNIFITHOFSS-GJZGRUSLSA-N 3 2 251.418 1.886 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C2CC(CC(=O)OC)C2)CC1 ZINC000424295581 330335931 /nfs/dbraw/zinc/33/59/31/330335931.db2.gz FEQFOQDTIAFVFD-UHFFFAOYSA-N 2 2 266.385 1.568 20 30 CDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000490899377 332127374 /nfs/dbraw/zinc/12/73/74/332127374.db2.gz OQZBGJXPRAHFMP-ZDUSSCGKSA-N 2 2 286.379 1.096 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2C)CC1 ZINC000491038622 332141454 /nfs/dbraw/zinc/14/14/54/332141454.db2.gz KLGAJWJPANSUOL-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2C)CC1 ZINC000491038622 332141455 /nfs/dbraw/zinc/14/14/55/332141455.db2.gz KLGAJWJPANSUOL-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CCNC(=O)CC[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000491417799 332208001 /nfs/dbraw/zinc/20/80/01/332208001.db2.gz OSNGYTRNSBQSIH-UHFFFAOYSA-N 2 2 296.374 1.161 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000491473746 332217960 /nfs/dbraw/zinc/21/79/60/332217960.db2.gz HHSHRYZYJJXUPK-INIZCTEOSA-N 2 2 293.455 1.616 20 30 CDEDLP CC(=[NH+]N1CC[NH+](C)CC1)c1ccccc1N(C)C ZINC000769567171 575361003 /nfs/dbraw/zinc/36/10/03/575361003.db2.gz OEVHWVJJKCRVKH-UHFFFAOYSA-N 2 2 260.385 1.724 20 30 CDEDLP Cc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C#N ZINC000767689079 576220390 /nfs/dbraw/zinc/22/03/90/576220390.db2.gz LCJPHQZDGAJKLI-SJORKVTESA-N 2 2 285.391 1.820 20 30 CDEDLP Cc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1C#N ZINC000767689079 576220393 /nfs/dbraw/zinc/22/03/93/576220393.db2.gz LCJPHQZDGAJKLI-SJORKVTESA-N 2 2 285.391 1.820 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000747019690 576856122 /nfs/dbraw/zinc/85/61/22/576856122.db2.gz DUXHSFNLWBVJKP-HNNXBMFYSA-N 2 2 288.395 1.138 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000747019690 576856123 /nfs/dbraw/zinc/85/61/23/576856123.db2.gz DUXHSFNLWBVJKP-HNNXBMFYSA-N 2 2 288.395 1.138 20 30 CDEDLP CN1CCc2cc(C=[NH+]NC3=[NH+][C@@H]4CCCC[C@@H]4N3)ccc21 ZINC000753930047 576866605 /nfs/dbraw/zinc/86/66/05/576866605.db2.gz TYTYSPSTVOXXBA-GASCZTMLSA-N 2 2 297.406 1.873 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)CCC[C@H]2C)CC1 ZINC000748821043 576927771 /nfs/dbraw/zinc/92/77/71/576927771.db2.gz IRYKAAUFLDTZNO-JKSUJKDBSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)CCC[C@H]2C)CC1 ZINC000748821043 576927772 /nfs/dbraw/zinc/92/77/72/576927772.db2.gz IRYKAAUFLDTZNO-JKSUJKDBSA-N 2 2 291.439 1.274 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767053 613265921 /nfs/dbraw/zinc/26/59/21/613265921.db2.gz QHYHBBZPQPPRGB-UONOGXRCSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767053 613265922 /nfs/dbraw/zinc/26/59/22/613265922.db2.gz QHYHBBZPQPPRGB-UONOGXRCSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000950521332 613316562 /nfs/dbraw/zinc/31/65/62/613316562.db2.gz IKOIDHRKTKCDCI-UHFFFAOYSA-N 2 2 279.428 1.439 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000950521332 613316564 /nfs/dbraw/zinc/31/65/64/613316564.db2.gz IKOIDHRKTKCDCI-UHFFFAOYSA-N 2 2 279.428 1.439 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000804777959 617330305 /nfs/dbraw/zinc/33/03/05/617330305.db2.gz JONDCKNDNQQPOQ-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000804777959 617330306 /nfs/dbraw/zinc/33/03/06/617330306.db2.gz JONDCKNDNQQPOQ-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC ZINC000804777959 617330307 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C=CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992520811 772557634 /nfs/dbraw/zinc/55/76/34/772557634.db2.gz ASMKZDZRHKMHKQ-GDBMZVCRSA-N 2 2 288.395 1.572 20 30 CDEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992520811 772557636 /nfs/dbraw/zinc/55/76/36/772557636.db2.gz ASMKZDZRHKMHKQ-GDBMZVCRSA-N 2 2 288.395 1.572 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992928113 772560998 /nfs/dbraw/zinc/56/09/98/772560998.db2.gz ZWAAIUOPAHBKFG-SOUVJXGZSA-N 2 2 288.395 1.286 20 30 CDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001032802515 772612245 /nfs/dbraw/zinc/61/22/45/772612245.db2.gz BVYCBKKMZHVDBB-HRCADAONSA-N 2 2 289.423 1.169 20 30 CDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001032802515 772612251 /nfs/dbraw/zinc/61/22/51/772612251.db2.gz BVYCBKKMZHVDBB-HRCADAONSA-N 2 2 289.423 1.169 20 30 CDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001032802515 772612256 /nfs/dbraw/zinc/61/22/56/772612256.db2.gz BVYCBKKMZHVDBB-HRCADAONSA-N 2 2 289.423 1.169 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001032802515 772612262 /nfs/dbraw/zinc/61/22/62/772612262.db2.gz BVYCBKKMZHVDBB-HRCADAONSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001007518774 772706793 /nfs/dbraw/zinc/70/67/93/772706793.db2.gz DKNVCGMKCDIFBB-HOTGVXAUSA-N 2 2 289.423 1.075 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001007518774 772706795 /nfs/dbraw/zinc/70/67/95/772706795.db2.gz DKNVCGMKCDIFBB-HOTGVXAUSA-N 2 2 289.423 1.075 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC2)C1 ZINC001007518774 772706799 /nfs/dbraw/zinc/70/67/99/772706799.db2.gz DKNVCGMKCDIFBB-HOTGVXAUSA-N 2 2 289.423 1.075 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC2)C1 ZINC001007518774 772706802 /nfs/dbraw/zinc/70/68/02/772706802.db2.gz DKNVCGMKCDIFBB-HOTGVXAUSA-N 2 2 289.423 1.075 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687343 772810159 /nfs/dbraw/zinc/81/01/59/772810159.db2.gz MEGVABSMQWENCH-CQSZACIVSA-N 2 2 298.390 1.962 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687343 772810161 /nfs/dbraw/zinc/81/01/61/772810161.db2.gz MEGVABSMQWENCH-CQSZACIVSA-N 2 2 298.390 1.962 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001014425549 772848716 /nfs/dbraw/zinc/84/87/16/772848716.db2.gz PYDQNWJUDMUFOD-OAHLLOKOSA-N 2 2 296.374 1.470 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001014425549 772848718 /nfs/dbraw/zinc/84/87/18/772848718.db2.gz PYDQNWJUDMUFOD-OAHLLOKOSA-N 2 2 296.374 1.470 20 30 CDEDLP C=CCNC(NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)=[NH+]C ZINC000103902678 772865187 /nfs/dbraw/zinc/86/51/87/772865187.db2.gz GBGOYGRTUYWHNU-STQMWFEESA-N 2 2 282.432 1.225 20 30 CDEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)CC1(C#N)CCC1 ZINC000886315216 773009749 /nfs/dbraw/zinc/00/97/49/773009749.db2.gz BHLMBAIIRBUHSA-RBSFLKMASA-N 2 2 277.412 1.600 20 30 CDEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)CC1(C#N)CCC1 ZINC000886315216 773009752 /nfs/dbraw/zinc/00/97/52/773009752.db2.gz BHLMBAIIRBUHSA-RBSFLKMASA-N 2 2 277.412 1.600 20 30 CDEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)CC1(C#N)CCC1 ZINC000886315216 773009753 /nfs/dbraw/zinc/00/97/53/773009753.db2.gz BHLMBAIIRBUHSA-RBSFLKMASA-N 2 2 277.412 1.600 20 30 CDEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)CC1(C#N)CCC1 ZINC000886315216 773009757 /nfs/dbraw/zinc/00/97/57/773009757.db2.gz BHLMBAIIRBUHSA-RBSFLKMASA-N 2 2 277.412 1.600 20 30 CDEDLP C[N@H+](CCNC(=[NH2+])Nc1ccccn1)Cc1ccccc1 ZINC000170910081 773024861 /nfs/dbraw/zinc/02/48/61/773024861.db2.gz CIBWBQZNGHEJEG-UHFFFAOYSA-N 2 2 283.379 1.940 20 30 CDEDLP C[N@@H+](CCNC(=[NH2+])Nc1ccccn1)Cc1ccccc1 ZINC000170910081 773024864 /nfs/dbraw/zinc/02/48/64/773024864.db2.gz CIBWBQZNGHEJEG-UHFFFAOYSA-N 2 2 283.379 1.940 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398501 773104116 /nfs/dbraw/zinc/10/41/16/773104116.db2.gz SVDDTFJWUAYDEH-ZDUSSCGKSA-N 2 2 262.357 1.040 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398501 773104111 /nfs/dbraw/zinc/10/41/11/773104111.db2.gz SVDDTFJWUAYDEH-ZDUSSCGKSA-N 2 2 262.357 1.040 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001019365517 773115705 /nfs/dbraw/zinc/11/57/05/773115705.db2.gz FJUCIKAUDBOQFI-RYUDHWBXSA-N 2 2 274.368 1.206 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3C[C@H](O)C3)CC2)cc1 ZINC000872127050 773304392 /nfs/dbraw/zinc/30/43/92/773304392.db2.gz SOSMVKYJTTZSAJ-SAABIXHNSA-N 2 2 299.418 1.883 20 30 CDEDLP CC[NH+]1CCN(c2ccc(C[NH2+]CCC#N)cc2F)CC1 ZINC000819031847 773706591 /nfs/dbraw/zinc/70/65/91/773706591.db2.gz AGCPBBCXLPPGAW-UHFFFAOYSA-N 2 2 290.386 1.971 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155174448 1167101989 /nfs/dbraw/zinc/10/19/89/1167101989.db2.gz CFGBCNDLXJDOHD-OLZOCXBDSA-N 2 2 290.411 1.842 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155174448 1167101991 /nfs/dbraw/zinc/10/19/91/1167101991.db2.gz CFGBCNDLXJDOHD-OLZOCXBDSA-N 2 2 290.411 1.842 20 30 CDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174581143 913218901 /nfs/dbraw/zinc/21/89/01/913218901.db2.gz NRSAMRFSFOZNTO-HNNXBMFYSA-N 2 2 290.411 1.561 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422003 895629738 /nfs/dbraw/zinc/62/97/38/895629738.db2.gz FRLPKBMXXDIHMW-ZDUSSCGKSA-N 2 2 290.411 1.650 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422003 895629741 /nfs/dbraw/zinc/62/97/41/895629741.db2.gz FRLPKBMXXDIHMW-ZDUSSCGKSA-N 2 2 290.411 1.650 20 30 CDEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104728956 898926332 /nfs/dbraw/zinc/92/63/32/898926332.db2.gz JKTTZSPSRRULOB-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP CCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235776650 914310256 /nfs/dbraw/zinc/31/02/56/914310256.db2.gz UDTUKFSHGFLBLD-STQMWFEESA-N 2 2 256.390 1.779 20 30 CDEDLP CCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235776650 914310266 /nfs/dbraw/zinc/31/02/66/914310266.db2.gz UDTUKFSHGFLBLD-STQMWFEESA-N 2 2 256.390 1.779 20 30 CDEDLP C=CCCCCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404496 914659872 /nfs/dbraw/zinc/65/98/72/914659872.db2.gz BKYQVYMIIZJCPD-UHFFFAOYSA-N 2 2 278.400 1.725 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC001087847677 905904143 /nfs/dbraw/zinc/90/41/43/905904143.db2.gz LTZHPQRBTZQTDK-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC001087847677 905904150 /nfs/dbraw/zinc/90/41/50/905904150.db2.gz LTZHPQRBTZQTDK-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C#CC[NH2+]C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272974411 921288100 /nfs/dbraw/zinc/28/81/00/921288100.db2.gz UJNGIUJQBSRGED-CQSZACIVSA-N 2 2 296.374 1.780 20 30 CDEDLP C[C@@H](CCCC#N)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001172493577 911731093 /nfs/dbraw/zinc/73/10/93/911731093.db2.gz VEEVADWJJCKWHB-AVGNSLFASA-N 2 2 296.415 1.605 20 30 CDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001179202551 915767359 /nfs/dbraw/zinc/76/73/59/915767359.db2.gz GVSLNDDGTURZGG-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783440 915978620 /nfs/dbraw/zinc/97/86/20/915978620.db2.gz PEPGOEPNHYGTEY-STQMWFEESA-N 2 2 276.384 1.497 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127796767 918456234 /nfs/dbraw/zinc/45/62/34/918456234.db2.gz BFRPHIZQODKNQI-UHFFFAOYSA-N 2 2 296.802 1.220 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098097011 936641074 /nfs/dbraw/zinc/64/10/74/936641074.db2.gz PSUIFLLQKDPHBC-OAGGEKHMSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098097011 936641075 /nfs/dbraw/zinc/64/10/75/936641075.db2.gz PSUIFLLQKDPHBC-OAGGEKHMSA-N 2 2 289.423 1.073 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193798188 923904246 /nfs/dbraw/zinc/90/42/46/923904246.db2.gz ZTMYKNWZMTUBCI-OAHLLOKOSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193798188 923904257 /nfs/dbraw/zinc/90/42/57/923904257.db2.gz ZTMYKNWZMTUBCI-OAHLLOKOSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449836 924220707 /nfs/dbraw/zinc/22/07/07/924220707.db2.gz XGRQYBZZXIKHPI-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449836 924220714 /nfs/dbraw/zinc/22/07/14/924220714.db2.gz XGRQYBZZXIKHPI-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001101061747 936955119 /nfs/dbraw/zinc/95/51/19/936955119.db2.gz NEMNOKGBFZOLPU-UHFFFAOYSA-N 2 2 290.411 1.724 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001084540765 925280943 /nfs/dbraw/zinc/28/09/43/925280943.db2.gz XKQPBXCQEGOIGQ-ZIAGYGMSSA-N 2 2 288.395 1.071 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001084540765 925280951 /nfs/dbraw/zinc/28/09/51/925280951.db2.gz XKQPBXCQEGOIGQ-ZIAGYGMSSA-N 2 2 288.395 1.071 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687531 925359528 /nfs/dbraw/zinc/35/95/28/925359528.db2.gz HJTVGJWWKXDIFH-TZMCWYRMSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687531 925359536 /nfs/dbraw/zinc/35/95/36/925359536.db2.gz HJTVGJWWKXDIFH-TZMCWYRMSA-N 2 2 274.368 1.061 20 30 CDEDLP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230591514 925504978 /nfs/dbraw/zinc/50/49/78/925504978.db2.gz ALMDJMGDFNUKGH-OAHLLOKOSA-N 2 2 292.427 1.165 20 30 CDEDLP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230591514 925504983 /nfs/dbraw/zinc/50/49/83/925504983.db2.gz ALMDJMGDFNUKGH-OAHLLOKOSA-N 2 2 292.427 1.165 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085680428 926278129 /nfs/dbraw/zinc/27/81/29/926278129.db2.gz GQKPGFBJWZRGPY-HIFRSBDPSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085680428 926278137 /nfs/dbraw/zinc/27/81/37/926278137.db2.gz GQKPGFBJWZRGPY-HIFRSBDPSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085825183 926426671 /nfs/dbraw/zinc/42/66/71/926426671.db2.gz CXLPYIUHEGRDLM-MGPQQGTHSA-N 2 2 288.395 1.242 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085825183 926426674 /nfs/dbraw/zinc/42/66/74/926426674.db2.gz CXLPYIUHEGRDLM-MGPQQGTHSA-N 2 2 288.395 1.242 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169161113 927794379 /nfs/dbraw/zinc/79/43/79/927794379.db2.gz OCOFVLIHLBRAQG-BTTYYORXSA-N 2 2 291.395 1.390 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169161113 927794388 /nfs/dbraw/zinc/79/43/88/927794388.db2.gz OCOFVLIHLBRAQG-BTTYYORXSA-N 2 2 291.395 1.390 20 30 CDEDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1O ZINC001275547885 931868320 /nfs/dbraw/zinc/86/83/20/931868320.db2.gz OCSFNCQLCFJNOS-GOOCMWNKSA-N 2 2 271.364 1.979 20 30 CDEDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1O ZINC001275547885 931868323 /nfs/dbraw/zinc/86/83/23/931868323.db2.gz OCSFNCQLCFJNOS-GOOCMWNKSA-N 2 2 271.364 1.979 20 30 CDEDLP Cc1ccc(CC#N)c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157916413 938562697 /nfs/dbraw/zinc/56/26/97/938562697.db2.gz XJGSQZWSIGSCEE-UHFFFAOYSA-N 2 2 272.356 1.050 20 30 CDEDLP C(#Cc1ccccc1)CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001159375871 938724619 /nfs/dbraw/zinc/72/46/19/938724619.db2.gz LJTHJFNMNHNPIL-UHFFFAOYSA-N 2 2 292.386 1.955 20 30 CDEDLP C#CC1CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CC1 ZINC001160912665 938842750 /nfs/dbraw/zinc/84/27/50/938842750.db2.gz MKUQAMDVSKMSRT-OAHLLOKOSA-N 2 2 271.364 1.131 20 30 CDEDLP N#CCc1ccc[nH+]c1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163160690 939217034 /nfs/dbraw/zinc/21/70/34/939217034.db2.gz ZATVNLZSVHDFAI-MGPQQGTHSA-N 2 2 272.352 1.184 20 30 CDEDLP C#C[C@H]1CCCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001165135141 939516227 /nfs/dbraw/zinc/51/62/27/939516227.db2.gz BIGVITKMHUBYAY-HNNXBMFYSA-N 2 2 284.407 1.683 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ccc(Cl)c(C#N)n1)CC[NH2+]CC2 ZINC001165351789 939550232 /nfs/dbraw/zinc/55/02/32/939550232.db2.gz JTTOPRQHVIZLEC-UHFFFAOYSA-N 2 2 287.754 1.789 20 30 CDEDLP N#CCc1cc[nH+]c(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c1 ZINC001165432588 939564395 /nfs/dbraw/zinc/56/43/95/939564395.db2.gz KGDKOVYZHDDBFS-OLZOCXBDSA-N 2 2 274.343 1.661 20 30 CDEDLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C1 ZINC001203764432 939702845 /nfs/dbraw/zinc/70/28/45/939702845.db2.gz GSXUSLABZDDNFQ-HZPDHXFCSA-N 2 2 255.365 1.942 20 30 CDEDLP N#Cc1cc(F)cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205681758 939918525 /nfs/dbraw/zinc/91/85/25/939918525.db2.gz NLKNRUJKYBZBEC-OAHLLOKOSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1cc(F)cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205681758 939918526 /nfs/dbraw/zinc/91/85/26/939918526.db2.gz NLKNRUJKYBZBEC-OAHLLOKOSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1ccn2ncc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206213456 939999525 /nfs/dbraw/zinc/99/95/25/939999525.db2.gz VIHVASUWSVHTLW-UONOGXRCSA-N 2 2 287.342 1.467 20 30 CDEDLP N#Cc1ccn2ncc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206213456 939999527 /nfs/dbraw/zinc/99/95/27/939999527.db2.gz VIHVASUWSVHTLW-UONOGXRCSA-N 2 2 287.342 1.467 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207547277 940214579 /nfs/dbraw/zinc/21/45/79/940214579.db2.gz RDMXBPBYWSXIQV-HONMWMINSA-N 2 2 299.846 1.516 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207547277 940214581 /nfs/dbraw/zinc/21/45/81/940214581.db2.gz RDMXBPBYWSXIQV-HONMWMINSA-N 2 2 299.846 1.516 20 30 CDEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[NH2+]C[C@@H](O)C2)CC1 ZINC001210399500 940688177 /nfs/dbraw/zinc/68/81/77/940688177.db2.gz LRPBDRVJSNPZPO-HUUCEWRRSA-N 2 2 250.386 1.555 20 30 CDEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[NH2+]C[C@@H](O)C2)CC1 ZINC001210399500 940688179 /nfs/dbraw/zinc/68/81/79/940688179.db2.gz LRPBDRVJSNPZPO-HUUCEWRRSA-N 2 2 250.386 1.555 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210847741 940717175 /nfs/dbraw/zinc/71/71/75/940717175.db2.gz RIHHVRBZEBQGQM-AWEZNQCLSA-N 2 2 290.411 1.807 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450054 940755408 /nfs/dbraw/zinc/75/54/08/940755408.db2.gz HXJZUOJYJMSMSJ-HUUCEWRRSA-N 2 2 288.395 1.123 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450054 940755409 /nfs/dbraw/zinc/75/54/09/940755409.db2.gz HXJZUOJYJMSMSJ-HUUCEWRRSA-N 2 2 288.395 1.123 20 30 CDEDLP N#Cc1c[nH]c2cc(NC(=O)C[NH2+]C3CC[NH2+]CC3)ccc12 ZINC001219045138 941302946 /nfs/dbraw/zinc/30/29/46/941302946.db2.gz ZIOOIGVOWQCZBY-UHFFFAOYSA-N 2 2 297.362 1.320 20 30 CDEDLP C=CCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225677513 941898076 /nfs/dbraw/zinc/89/80/76/941898076.db2.gz YLMQZQYZDKZPJJ-UHFFFAOYSA-N 2 2 276.384 1.287 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399412 947852959 /nfs/dbraw/zinc/85/29/59/947852959.db2.gz RLGSSJOQTPUFOJ-ROUUACIJSA-N 2 2 298.434 1.838 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399412 947852964 /nfs/dbraw/zinc/85/29/64/947852964.db2.gz RLGSSJOQTPUFOJ-ROUUACIJSA-N 2 2 298.434 1.838 20 30 CDEDLP CC1(C#N)CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246139374 947982708 /nfs/dbraw/zinc/98/27/08/947982708.db2.gz CUPMZIRKKMDIPP-PCKAHOCUSA-N 3 2 290.455 1.923 20 30 CDEDLP C#CC(C)(C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943536 951711445 /nfs/dbraw/zinc/71/14/45/951711445.db2.gz LLSLZHXPWZSXOG-QGZVFWFLSA-N 2 2 272.392 1.625 20 30 CDEDLP C#CC(C)(C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943536 951711454 /nfs/dbraw/zinc/71/14/54/951711454.db2.gz LLSLZHXPWZSXOG-QGZVFWFLSA-N 2 2 272.392 1.625 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001326784092 954547499 /nfs/dbraw/zinc/54/74/99/954547499.db2.gz QQZPSDKYJXNGIV-ZDUSSCGKSA-N 2 2 275.356 1.068 20 30 CDEDLP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccn2)CC1 ZINC001353316889 967891168 /nfs/dbraw/zinc/89/11/68/967891168.db2.gz REZLXRLBPZMQJF-INIZCTEOSA-N 2 2 273.380 1.192 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391681 968212957 /nfs/dbraw/zinc/21/29/57/968212957.db2.gz XGBIVOGBAJLWAX-UHFFFAOYSA-N 2 2 262.357 1.013 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391681 968212968 /nfs/dbraw/zinc/21/29/68/968212968.db2.gz XGBIVOGBAJLWAX-UHFFFAOYSA-N 2 2 262.357 1.013 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100715623 969001875 /nfs/dbraw/zinc/00/18/75/969001875.db2.gz TXJQHEFAVAMOAI-IYXRBSQSSA-N 2 2 276.384 1.505 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001496777960 973093495 /nfs/dbraw/zinc/09/34/95/973093495.db2.gz QJMCORBWWKKXCU-UHFFFAOYSA-N 2 2 287.835 1.471 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001496777960 973093508 /nfs/dbraw/zinc/09/35/08/973093508.db2.gz QJMCORBWWKKXCU-UHFFFAOYSA-N 2 2 287.835 1.471 20 30 CDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133195433 1163602794 /nfs/dbraw/zinc/60/27/94/1163602794.db2.gz QSLBZIKCGVKCAC-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2C[NH2+]CCO2)cc1 ZINC001573307399 1170651702 /nfs/dbraw/zinc/65/17/02/1170651702.db2.gz SNAVDOSKIROHNJ-BBRMVZONSA-N 2 2 274.364 1.165 20 30 CDEDLP N#CCN1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000609334702 342102699 /nfs/dbraw/zinc/10/26/99/342102699.db2.gz BSUIIBGVNUEHGR-UHFFFAOYSA-N 2 2 295.390 1.950 20 30 CDEDLP N#CC[C@]1(O)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000592149673 342668610 /nfs/dbraw/zinc/66/86/10/342668610.db2.gz UEUPHAWFVFXRDB-INIZCTEOSA-N 2 2 282.347 1.723 20 30 CDEDLP N#CC[C@]1(O)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000592149673 342668611 /nfs/dbraw/zinc/66/86/11/342668611.db2.gz UEUPHAWFVFXRDB-INIZCTEOSA-N 2 2 282.347 1.723 20 30 CDEDLP N#CC[C@]1(O)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000592521969 342701859 /nfs/dbraw/zinc/70/18/59/342701859.db2.gz FWLFVCRRIHQUOR-AWEZNQCLSA-N 2 2 256.309 1.185 20 30 CDEDLP N#CC[C@]1(O)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000592521969 342701861 /nfs/dbraw/zinc/70/18/61/342701861.db2.gz FWLFVCRRIHQUOR-AWEZNQCLSA-N 2 2 256.309 1.185 20 30 CDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813463 346444560 /nfs/dbraw/zinc/44/45/60/346444560.db2.gz HVENHMLVDKUNNN-WFASDCNBSA-N 2 2 262.401 1.047 20 30 CDEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813463 346444562 /nfs/dbraw/zinc/44/45/62/346444562.db2.gz HVENHMLVDKUNNN-WFASDCNBSA-N 2 2 262.401 1.047 20 30 CDEDLP C=CCC[C@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449702319 362768208 /nfs/dbraw/zinc/76/82/08/362768208.db2.gz YRGIBNNYYYVIPO-QGZVFWFLSA-N 2 2 289.423 1.963 20 30 CDEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000611302743 346741984 /nfs/dbraw/zinc/74/19/84/346741984.db2.gz OQRGQRDGVXYGPG-AWEZNQCLSA-N 2 2 280.416 1.211 20 30 CDEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000611302743 346741987 /nfs/dbraw/zinc/74/19/87/346741987.db2.gz OQRGQRDGVXYGPG-AWEZNQCLSA-N 2 2 280.416 1.211 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264096383 362964987 /nfs/dbraw/zinc/96/49/87/362964987.db2.gz MBGDAYMEKVSYHG-UHFFFAOYSA-N 2 2 257.341 1.586 20 30 CDEDLP C=CCNC(=[NH2+])NCCCn1c(C)[nH+]c2ccccc21 ZINC000264090253 362964004 /nfs/dbraw/zinc/96/40/04/362964004.db2.gz KRHNPMDDDKJIJV-UHFFFAOYSA-N 2 2 271.368 1.825 20 30 CDEDLP C[NH+]=C(NC[C@@H](c1cccc(OC)c1)[NH+](C)C)NC1CC1 ZINC000264099624 362966990 /nfs/dbraw/zinc/96/69/90/362966990.db2.gz YMRXCAYJLAJRHC-HNNXBMFYSA-N 2 2 290.411 1.625 20 30 CDEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1C[C@H]1C ZINC000176386310 366332803 /nfs/dbraw/zinc/33/28/03/366332803.db2.gz YTJPLCDYTDDTMT-TZMCWYRMSA-N 2 2 298.394 1.731 20 30 CDEDLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1C ZINC000329595507 538591025 /nfs/dbraw/zinc/59/10/25/538591025.db2.gz VLKOETDYTOJIKF-SRVKXCTJSA-N 2 2 276.384 1.954 20 30 CDEDLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1C ZINC000329595507 538591034 /nfs/dbraw/zinc/59/10/34/538591034.db2.gz VLKOETDYTOJIKF-SRVKXCTJSA-N 2 2 276.384 1.954 20 30 CDEDLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1C ZINC000329595507 538591038 /nfs/dbraw/zinc/59/10/38/538591038.db2.gz VLKOETDYTOJIKF-SRVKXCTJSA-N 2 2 276.384 1.954 20 30 CDEDLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1C ZINC000329595507 538591043 /nfs/dbraw/zinc/59/10/43/538591043.db2.gz VLKOETDYTOJIKF-SRVKXCTJSA-N 2 2 276.384 1.954 20 30 CDEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584530481 358109227 /nfs/dbraw/zinc/10/92/27/358109227.db2.gz QKAMXQIRZWDWIW-CYBMUJFWSA-N 2 2 298.394 1.375 20 30 CDEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584530481 358109228 /nfs/dbraw/zinc/10/92/28/358109228.db2.gz QKAMXQIRZWDWIW-CYBMUJFWSA-N 2 2 298.394 1.375 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584530481 358109231 /nfs/dbraw/zinc/10/92/31/358109231.db2.gz QKAMXQIRZWDWIW-CYBMUJFWSA-N 2 2 298.394 1.375 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584530481 358109233 /nfs/dbraw/zinc/10/92/33/358109233.db2.gz QKAMXQIRZWDWIW-CYBMUJFWSA-N 2 2 298.394 1.375 20 30 CDEDLP COc1cc(C[NH2+]CC[NH+]2CCCC2)ccc1C#N ZINC000234909542 358973081 /nfs/dbraw/zinc/97/30/81/358973081.db2.gz 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375662447 /nfs/dbraw/zinc/66/24/47/375662447.db2.gz AWRUEGOEWICOQO-UKRRQHHQSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134885904 375662456 /nfs/dbraw/zinc/66/24/56/375662456.db2.gz AWRUEGOEWICOQO-UKRRQHHQSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134885904 375662466 /nfs/dbraw/zinc/66/24/66/375662466.db2.gz AWRUEGOEWICOQO-UKRRQHHQSA-N 2 2 277.412 1.237 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419725307 376155237 /nfs/dbraw/zinc/15/52/37/376155237.db2.gz IGWSARLAEOUQEO-JSGCOSHPSA-N 2 2 278.400 1.557 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331011814 376450564 /nfs/dbraw/zinc/45/05/64/376450564.db2.gz WARUCOPQQLGJCC-WDEREUQCSA-N 2 2 293.371 1.028 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331011814 376450568 /nfs/dbraw/zinc/45/05/68/376450568.db2.gz WARUCOPQQLGJCC-WDEREUQCSA-N 2 2 293.371 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C#CC[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000926489838 779326087 /nfs/dbraw/zinc/32/60/87/779326087.db2.gz KHFKIYOTOLTFST-ALOPSCKCSA-N 3 2 293.455 1.173 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000931344495 779390644 /nfs/dbraw/zinc/39/06/44/779390644.db2.gz ODQGGPSICBZOHT-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000931344495 779390660 /nfs/dbraw/zinc/39/06/60/779390660.db2.gz ODQGGPSICBZOHT-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018305259 779456401 /nfs/dbraw/zinc/45/64/01/779456401.db2.gz MAKNNTZXELNURP-YHUYYLMFSA-N 2 2 291.439 1.720 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018305259 779456404 /nfs/dbraw/zinc/45/64/04/779456404.db2.gz MAKNNTZXELNURP-YHUYYLMFSA-N 2 2 291.439 1.720 20 30 CDEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034277908 779709482 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CDEDLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)cn3)CC2)CC1 ZINC001144160361 931675557 /nfs/dbraw/zinc/67/55/57/931675557.db2.gz HHDGMWFCGHYIKG-UHFFFAOYSA-N 2 2 299.422 1.165 20 30 CDEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCn1cc[nH+]c1 ZINC001171176821 931803054 /nfs/dbraw/zinc/80/30/54/931803054.db2.gz VXWYXDKBXRDTAY-ZDUSSCGKSA-N 2 2 254.337 1.976 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160984774 932288672 /nfs/dbraw/zinc/28/86/72/932288672.db2.gz WTWYDXYEWJUMNN-UHFFFAOYSA-N 2 2 258.325 1.458 20 30 CDEDLP N#Cc1c[nH]c2nc(-n3c[nH+]cc3C3CC[NH2+]CC3)ncc12 ZINC001155063426 937630023 /nfs/dbraw/zinc/63/00/23/937630023.db2.gz AJCPYKKMLCOBDZ-UHFFFAOYSA-N 2 2 293.334 1.482 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319919 932934885 /nfs/dbraw/zinc/93/48/85/932934885.db2.gz XAIUWGGPGWPOBL-ZBFHGGJFSA-N 2 2 288.395 1.240 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319919 932934888 /nfs/dbraw/zinc/93/48/88/932934888.db2.gz XAIUWGGPGWPOBL-ZBFHGGJFSA-N 2 2 288.395 1.240 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111074991 933936918 /nfs/dbraw/zinc/93/69/18/933936918.db2.gz JKEAKFLFNMBTGW-TUVASFSCSA-N 2 2 286.379 1.189 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111074991 933936926 /nfs/dbraw/zinc/93/69/26/933936926.db2.gz JKEAKFLFNMBTGW-TUVASFSCSA-N 2 2 286.379 1.189 20 30 CDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114894906 935291838 /nfs/dbraw/zinc/29/18/38/935291838.db2.gz NYUCNULBSOZMBS-RMRHIDDWSA-N 2 2 274.368 1.067 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114894906 935291843 /nfs/dbraw/zinc/29/18/43/935291843.db2.gz NYUCNULBSOZMBS-RMRHIDDWSA-N 2 2 274.368 1.067 20 30 CDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156978721 938442529 /nfs/dbraw/zinc/44/25/29/938442529.db2.gz CYOYRSZYFPJRRJ-LBPRGKRZSA-N 2 2 299.378 1.525 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156978721 938442530 /nfs/dbraw/zinc/44/25/30/938442530.db2.gz CYOYRSZYFPJRRJ-LBPRGKRZSA-N 2 2 299.378 1.525 20 30 CDEDLP CCCCN(CC#N)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160735452 938822524 /nfs/dbraw/zinc/82/25/24/938822524.db2.gz UVTJNULLXQFMOK-CQSZACIVSA-N 2 2 274.368 1.411 20 30 CDEDLP CCc1cc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)ccc1C#N ZINC001238769824 945244532 /nfs/dbraw/zinc/24/45/32/945244532.db2.gz VMGKFCUIWVJQQF-UHFFFAOYSA-N 2 2 298.434 1.552 20 30 CDEDLP CC1(C[NH3+])C[NH+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001206723745 940082276 /nfs/dbraw/zinc/08/22/76/940082276.db2.gz VPVRVFQWKANOFN-UHFFFAOYSA-N 2 2 254.337 1.820 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209336604 940462212 /nfs/dbraw/zinc/46/22/12/940462212.db2.gz HRQLYSLTSSETGV-GZBFAFLISA-N 2 2 290.411 1.601 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209336604 940462213 /nfs/dbraw/zinc/46/22/13/940462213.db2.gz HRQLYSLTSSETGV-GZBFAFLISA-N 2 2 290.411 1.601 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209336604 940462216 /nfs/dbraw/zinc/46/22/16/940462216.db2.gz HRQLYSLTSSETGV-GZBFAFLISA-N 2 2 290.411 1.601 20 30 CDEDLP N#Cc1cccc(N2CC[NH+](Cc3c[nH+]ccc3N)CC2)c1 ZINC001209737876 940634571 /nfs/dbraw/zinc/63/45/71/940634571.db2.gz SSWZMLHZHKGPRV-UHFFFAOYSA-N 2 2 293.374 1.688 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210052792 940659955 /nfs/dbraw/zinc/65/99/55/940659955.db2.gz QISHKNCDRCJMEG-UONOGXRCSA-N 2 2 288.395 1.192 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210052792 940659956 /nfs/dbraw/zinc/65/99/56/940659956.db2.gz QISHKNCDRCJMEG-UONOGXRCSA-N 2 2 288.395 1.192 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210304723 940681308 /nfs/dbraw/zinc/68/13/08/940681308.db2.gz PDYIDHNKWLOHLR-CYBMUJFWSA-N 2 2 276.384 1.499 20 30 CDEDLP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C[NH3+])C1CC1 ZINC000402185831 940890454 /nfs/dbraw/zinc/89/04/54/940890454.db2.gz ZPGWBDOSFZCYDL-GJZGRUSLSA-N 2 2 259.353 1.261 20 30 CDEDLP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C[NH3+])C1CC1 ZINC000402185831 940890457 /nfs/dbraw/zinc/89/04/57/940890457.db2.gz ZPGWBDOSFZCYDL-GJZGRUSLSA-N 2 2 259.353 1.261 20 30 CDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cnc([C@H](C)[NH3+])s1 ZINC001220868686 941478487 /nfs/dbraw/zinc/47/84/87/941478487.db2.gz OZOFJOIYWQOOMW-QWRGUYRKSA-N 2 2 294.424 1.543 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc([C@H](C)[NH3+])s1 ZINC001220868686 941478490 /nfs/dbraw/zinc/47/84/90/941478490.db2.gz OZOFJOIYWQOOMW-QWRGUYRKSA-N 2 2 294.424 1.543 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221772685 941550697 /nfs/dbraw/zinc/55/06/97/941550697.db2.gz JQPWSDMKDSCBAK-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221772685 941550699 /nfs/dbraw/zinc/55/06/99/941550699.db2.gz JQPWSDMKDSCBAK-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=CC[NH+]1CCC(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001223903659 941705803 /nfs/dbraw/zinc/70/58/03/941705803.db2.gz CFSSILWJGUPGAJ-UHFFFAOYSA-N 2 2 290.411 1.367 20 30 CDEDLP C=CC[NH2+]CC[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224118341 941722095 /nfs/dbraw/zinc/72/20/95/941722095.db2.gz IAWGFCJHUXCTTP-ZFWWWQNUSA-N 2 2 257.381 1.903 20 30 CDEDLP C=CC[NH2+]CC[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224118341 941722098 /nfs/dbraw/zinc/72/20/98/941722098.db2.gz IAWGFCJHUXCTTP-ZFWWWQNUSA-N 2 2 257.381 1.903 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013473 943715729 /nfs/dbraw/zinc/71/57/29/943715729.db2.gz WMBQFKMIKCQQBR-LBPRGKRZSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013473 943715732 /nfs/dbraw/zinc/71/57/32/943715732.db2.gz WMBQFKMIKCQQBR-LBPRGKRZSA-N 2 2 262.357 1.061 20 30 CDEDLP N#CCC[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001277938845 944130807 /nfs/dbraw/zinc/13/08/07/944130807.db2.gz GNNBPBNIXLTKLJ-JKSUJKDBSA-N 2 2 287.411 1.821 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235631399 944225155 /nfs/dbraw/zinc/22/51/55/944225155.db2.gz CBHJRTWOHDHZPN-MELADBBJSA-N 2 2 254.374 1.160 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H](C)[NH3+])C2 ZINC001235631399 944225159 /nfs/dbraw/zinc/22/51/59/944225159.db2.gz CBHJRTWOHDHZPN-MELADBBJSA-N 2 2 254.374 1.160 20 30 CDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235631401 944225388 /nfs/dbraw/zinc/22/53/88/944225388.db2.gz CBHJRTWOHDHZPN-RDBSUJKOSA-N 2 2 254.374 1.160 20 30 CDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235631401 944225394 /nfs/dbraw/zinc/22/53/94/944225394.db2.gz CBHJRTWOHDHZPN-RDBSUJKOSA-N 2 2 254.374 1.160 20 30 CDEDLP N#Cc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccn1 ZINC001241190702 946186853 /nfs/dbraw/zinc/18/68/53/946186853.db2.gz XDAOGDOWJANLQZ-UHFFFAOYSA-N 2 2 275.315 1.955 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246029870 947909403 /nfs/dbraw/zinc/90/94/03/947909403.db2.gz DDOFQFBYLHHDGA-GJZGRUSLSA-N 2 2 272.433 1.364 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246029870 947909413 /nfs/dbraw/zinc/90/94/13/947909413.db2.gz DDOFQFBYLHHDGA-GJZGRUSLSA-N 2 2 272.433 1.364 20 30 CDEDLP CCCC(C[NH3+])(CCC)[NH2+][C@@H]1CCN[C@H](C#N)C1 ZINC001246499722 948211815 /nfs/dbraw/zinc/21/18/15/948211815.db2.gz DGIMPTYWNCVILC-OLZOCXBDSA-N 2 2 252.406 1.518 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256915369 948455787 /nfs/dbraw/zinc/45/57/87/948455787.db2.gz VHGTYTWPRMFFAY-CABCVRRESA-N 2 2 262.401 1.191 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256915369 948455792 /nfs/dbraw/zinc/45/57/92/948455792.db2.gz VHGTYTWPRMFFAY-CABCVRRESA-N 2 2 262.401 1.191 20 30 CDEDLP C#CCO[C@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001330566002 956483376 /nfs/dbraw/zinc/48/33/76/956483376.db2.gz XDJHWYAATGBUHR-LLVKDONJSA-N 2 2 284.319 1.553 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001370067422 959977698 /nfs/dbraw/zinc/97/76/98/959977698.db2.gz USOJRRSCPQERMA-CQSZACIVSA-N 2 2 299.846 1.805 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001370067422 959977707 /nfs/dbraw/zinc/97/77/07/959977707.db2.gz USOJRRSCPQERMA-CQSZACIVSA-N 2 2 299.846 1.805 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001441244642 964433576 /nfs/dbraw/zinc/43/35/76/964433576.db2.gz ZXCVMPWRDKVBEP-LBPRGKRZSA-N 2 2 282.775 1.189 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001372243066 972868079 /nfs/dbraw/zinc/86/80/79/972868079.db2.gz QBFIZJXTKSZHRR-UHFFFAOYSA-N 2 2 287.835 1.663 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001372243066 972868086 /nfs/dbraw/zinc/86/80/86/972868086.db2.gz QBFIZJXTKSZHRR-UHFFFAOYSA-N 2 2 287.835 1.663 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001381628498 976959594 /nfs/dbraw/zinc/95/95/94/976959594.db2.gz OXFIYBLPWLGJEV-QWHCGFSZSA-N 2 2 289.851 1.762 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CCn1cc[nH+]c1 ZINC001391711371 977060009 /nfs/dbraw/zinc/06/00/09/977060009.db2.gz PASXSVYUBTXIRL-LBPRGKRZSA-N 2 2 284.791 1.510 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001392803235 977600409 /nfs/dbraw/zinc/60/04/09/977600409.db2.gz UKFSTDMBMLNNGY-GFCCVEGCSA-N 2 2 282.775 1.189 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000351618179 361806746 /nfs/dbraw/zinc/80/67/46/361806746.db2.gz HINSOGXZGPYSHU-KGLIPLIRSA-N 2 2 265.401 1.864 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000351618179 361806751 /nfs/dbraw/zinc/80/67/51/361806751.db2.gz HINSOGXZGPYSHU-KGLIPLIRSA-N 2 2 265.401 1.864 20 30 CDEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000591582521 342638134 /nfs/dbraw/zinc/63/81/34/342638134.db2.gz ZLBLSFSVAXJNFO-GOEBONIOSA-N 2 2 271.364 1.514 20 30 CDEDLP CC(C)(C#N)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594605464 342925192 /nfs/dbraw/zinc/92/51/92/342925192.db2.gz BAEDXJJPSJOEDU-ZDUSSCGKSA-N 2 2 251.374 1.379 20 30 CDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598715321 343880960 /nfs/dbraw/zinc/88/09/60/343880960.db2.gz OGPPYNDSJUEQNA-VXGBXAGGSA-N 2 2 250.346 1.162 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000602545200 344461860 /nfs/dbraw/zinc/46/18/60/344461860.db2.gz NYWXOPIEHDFKQC-KBPBESRZSA-N 2 2 277.412 1.912 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000602545200 344461862 /nfs/dbraw/zinc/46/18/62/344461862.db2.gz NYWXOPIEHDFKQC-KBPBESRZSA-N 2 2 277.412 1.912 20 30 CDEDLP N#CCC1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000602783293 344597837 /nfs/dbraw/zinc/59/78/37/344597837.db2.gz ONUQCCCCCQSOAP-CQSZACIVSA-N 2 2 263.385 1.334 20 30 CDEDLP N#CCC1(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000602783293 344597840 /nfs/dbraw/zinc/59/78/40/344597840.db2.gz ONUQCCCCCQSOAP-CQSZACIVSA-N 2 2 263.385 1.334 20 30 CDEDLP N#CCC1(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)CC1 ZINC000602837965 344620353 /nfs/dbraw/zinc/62/03/53/344620353.db2.gz QRLGLQTTWXIPNF-UHFFFAOYSA-N 2 2 277.412 1.507 20 30 CDEDLP N#Cc1ccccc1N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000159805484 362529493 /nfs/dbraw/zinc/52/94/93/362529493.db2.gz FRTWXJFFORIRSO-UHFFFAOYSA-N 2 2 295.390 1.967 20 30 CDEDLP N#Cc1ccccc1N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000159805484 362529496 /nfs/dbraw/zinc/52/94/96/362529496.db2.gz FRTWXJFFORIRSO-UHFFFAOYSA-N 2 2 295.390 1.967 20 30 CDEDLP C=C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(=O)OC ZINC000619704196 347981958 /nfs/dbraw/zinc/98/19/58/347981958.db2.gz YPUGFNXWJWECBG-ZDUSSCGKSA-N 2 2 252.358 1.178 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000225313816 362980419 /nfs/dbraw/zinc/98/04/19/362980419.db2.gz WXWXADJWKUOVNJ-INIZCTEOSA-N 2 2 287.407 1.034 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000225313816 362980422 /nfs/dbraw/zinc/98/04/22/362980422.db2.gz WXWXADJWKUOVNJ-INIZCTEOSA-N 2 2 287.407 1.034 20 30 CDEDLP C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644636129 366282633 /nfs/dbraw/zinc/28/26/33/366282633.db2.gz VZMWFVUHPHHYRL-CQSZACIVSA-N 2 2 293.455 1.873 20 30 CDEDLP C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644636129 366282639 /nfs/dbraw/zinc/28/26/39/366282639.db2.gz VZMWFVUHPHHYRL-CQSZACIVSA-N 2 2 293.455 1.873 20 30 CDEDLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000566568905 358114252 /nfs/dbraw/zinc/11/42/52/358114252.db2.gz DEDJLOIDGIAUEJ-QGZVFWFLSA-N 2 2 287.407 1.835 20 30 CDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000566568905 358114257 /nfs/dbraw/zinc/11/42/57/358114257.db2.gz DEDJLOIDGIAUEJ-QGZVFWFLSA-N 2 2 287.407 1.835 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000566568905 358114263 /nfs/dbraw/zinc/11/42/63/358114263.db2.gz DEDJLOIDGIAUEJ-QGZVFWFLSA-N 2 2 287.407 1.835 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000566568905 358114270 /nfs/dbraw/zinc/11/42/70/358114270.db2.gz DEDJLOIDGIAUEJ-QGZVFWFLSA-N 2 2 287.407 1.835 20 30 CDEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584530482 358114684 /nfs/dbraw/zinc/11/46/84/358114684.db2.gz QKAMXQIRZWDWIW-ZDUSSCGKSA-N 2 2 298.394 1.375 20 30 CDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584530482 358114685 /nfs/dbraw/zinc/11/46/85/358114685.db2.gz QKAMXQIRZWDWIW-ZDUSSCGKSA-N 2 2 298.394 1.375 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584530482 358114686 /nfs/dbraw/zinc/11/46/86/358114686.db2.gz QKAMXQIRZWDWIW-ZDUSSCGKSA-N 2 2 298.394 1.375 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584530482 358114687 /nfs/dbraw/zinc/11/46/87/358114687.db2.gz QKAMXQIRZWDWIW-ZDUSSCGKSA-N 2 2 298.394 1.375 20 30 CDEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C#N)n(C)c1 ZINC000290339995 366425911 /nfs/dbraw/zinc/42/59/11/366425911.db2.gz FIOBOKJZLSYPGY-DOMZBBRYSA-N 2 2 260.385 1.669 20 30 CDEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C#N)n(C)c1 ZINC000290339995 366425920 /nfs/dbraw/zinc/42/59/20/366425920.db2.gz FIOBOKJZLSYPGY-DOMZBBRYSA-N 2 2 260.385 1.669 20 30 CDEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000290339995 366425925 /nfs/dbraw/zinc/42/59/25/366425925.db2.gz FIOBOKJZLSYPGY-DOMZBBRYSA-N 2 2 260.385 1.669 20 30 CDEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000290339995 366425932 /nfs/dbraw/zinc/42/59/32/366425932.db2.gz FIOBOKJZLSYPGY-DOMZBBRYSA-N 2 2 260.385 1.669 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348287141 359969256 /nfs/dbraw/zinc/96/92/56/359969256.db2.gz SRQXMAWEUUIEMY-ZFWWWQNUSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348287141 359969258 /nfs/dbraw/zinc/96/92/58/359969258.db2.gz SRQXMAWEUUIEMY-ZFWWWQNUSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348287141 359969263 /nfs/dbraw/zinc/96/92/63/359969263.db2.gz SRQXMAWEUUIEMY-ZFWWWQNUSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348287141 359969266 /nfs/dbraw/zinc/96/92/66/359969266.db2.gz SRQXMAWEUUIEMY-ZFWWWQNUSA-N 2 2 279.428 1.341 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000435745878 361440887 /nfs/dbraw/zinc/44/08/87/361440887.db2.gz RBJADPOAEMLGJR-YJNKXOJESA-N 2 2 252.402 1.897 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000435745878 361440891 /nfs/dbraw/zinc/44/08/91/361440891.db2.gz RBJADPOAEMLGJR-YJNKXOJESA-N 2 2 252.402 1.897 20 30 CDEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000351494895 361714368 /nfs/dbraw/zinc/71/43/68/361714368.db2.gz SFODEOLHWDNCJJ-CQSZACIVSA-N 2 2 280.416 1.165 20 30 CDEDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000270820094 366936586 /nfs/dbraw/zinc/93/65/86/366936586.db2.gz JIQMVHJVEMXDHI-UHFFFAOYSA-N 2 2 296.378 1.280 20 30 CDEDLP C=CCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000154481482 370921428 /nfs/dbraw/zinc/92/14/28/370921428.db2.gz RWZITJBWSMXDOX-UHFFFAOYSA-N 2 2 294.443 1.372 20 30 CDEDLP C=CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000567363947 370968337 /nfs/dbraw/zinc/96/83/37/370968337.db2.gz VYKOURSMIVDIOZ-CQSZACIVSA-N 2 2 297.424 1.028 20 30 CDEDLP C=CC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000567363947 370968344 /nfs/dbraw/zinc/96/83/44/370968344.db2.gz VYKOURSMIVDIOZ-CQSZACIVSA-N 2 2 297.424 1.028 20 30 CDEDLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)CCO1 ZINC000331736399 204107490 /nfs/dbraw/zinc/10/74/90/204107490.db2.gz BJOXZSQAMQTTNC-BBRMVZONSA-N 2 2 299.378 1.640 20 30 CDEDLP C[C@@H](CC(=O)N(CCC#N)CCC[NH+](C)C)n1cc[nH+]c1 ZINC000579250382 372555976 /nfs/dbraw/zinc/55/59/76/372555976.db2.gz UYXFCJWVVGRLHX-AWEZNQCLSA-N 2 2 291.399 1.528 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH2+]CC#Cc1cccc(F)c1)C1CC1 ZINC000571791045 377533318 /nfs/dbraw/zinc/53/33/18/377533318.db2.gz OTKDJKHITKXPHR-INIZCTEOSA-N 2 2 276.355 1.222 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+]CC#Cc1cccc(F)c1)C1CC1 ZINC000571791045 377533319 /nfs/dbraw/zinc/53/33/19/377533319.db2.gz OTKDJKHITKXPHR-INIZCTEOSA-N 2 2 276.355 1.222 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](CCCSCC#N)CC1 ZINC000269710291 391255895 /nfs/dbraw/zinc/25/58/95/391255895.db2.gz PEYBXGXDCCYOGR-UHFFFAOYSA-N 2 2 279.413 1.189 20 30 CDEDLP C[N@H+](CCCO)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000330448804 391434657 /nfs/dbraw/zinc/43/46/57/391434657.db2.gz ZGNHVEJZAKCYBC-ZFWWWQNUSA-N 2 2 265.401 1.457 20 30 CDEDLP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000330448804 391434660 /nfs/dbraw/zinc/43/46/60/391434660.db2.gz ZGNHVEJZAKCYBC-ZFWWWQNUSA-N 2 2 265.401 1.457 20 30 CDEDLP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000330448803 391434888 /nfs/dbraw/zinc/43/48/88/391434888.db2.gz ZGNHVEJZAKCYBC-UKRRQHHQSA-N 2 2 265.401 1.457 20 30 CDEDLP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000330448803 391434890 /nfs/dbraw/zinc/43/48/90/391434890.db2.gz ZGNHVEJZAKCYBC-UKRRQHHQSA-N 2 2 265.401 1.457 20 30 CDEDLP CC[NH+](CC)[C@H](CNC1=[NH+]CCN1C)c1ccco1 ZINC000262651339 391807667 /nfs/dbraw/zinc/80/76/67/391807667.db2.gz KOKFSHQFBRVSSW-GFCCVEGCSA-N 2 2 264.373 1.554 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000372754144 391863858 /nfs/dbraw/zinc/86/38/58/391863858.db2.gz XYDXQDOQNXERHW-ZDUSSCGKSA-N 2 2 288.395 1.212 20 30 CDEDLP COc1cc(C#N)ccc1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000590599592 391911619 /nfs/dbraw/zinc/91/16/19/391911619.db2.gz JIXNBXYOMOLCRW-UHFFFAOYSA-N 2 2 268.320 1.848 20 30 CDEDLP COc1cc(C#N)ccc1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000590599592 391911626 /nfs/dbraw/zinc/91/16/26/391911626.db2.gz JIXNBXYOMOLCRW-UHFFFAOYSA-N 2 2 268.320 1.848 20 30 CDEDLP C#CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373356047 397675328 /nfs/dbraw/zinc/67/53/28/397675328.db2.gz YWKMQQDICHMKCK-CQSZACIVSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373356047 397675332 /nfs/dbraw/zinc/67/53/32/397675332.db2.gz YWKMQQDICHMKCK-CQSZACIVSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CCC1(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000662888112 413658988 /nfs/dbraw/zinc/65/89/88/413658988.db2.gz FSJBCKCRTRWVDQ-GFCCVEGCSA-N 2 2 253.390 1.271 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000491309257 261407598 /nfs/dbraw/zinc/40/75/98/261407598.db2.gz YEDKVVULTXEBGK-OAHLLOKOSA-N 2 2 291.439 1.322 20 30 CDEDLP COc1cccc([C@@H](CNC(=[NH2+])N(C)C2CC2)[NH+](C)C)c1 ZINC000273325575 263015430 /nfs/dbraw/zinc/01/54/30/263015430.db2.gz HLRFJOKHMYTNMY-OAHLLOKOSA-N 2 2 290.411 1.707 20 30 CDEDLP C=CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000353671818 263362159 /nfs/dbraw/zinc/36/21/59/263362159.db2.gz LZDPAUHKZJGTPR-UKRRQHHQSA-N 2 2 264.369 1.943 20 30 CDEDLP C=CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000353671818 263362161 /nfs/dbraw/zinc/36/21/61/263362161.db2.gz LZDPAUHKZJGTPR-UKRRQHHQSA-N 2 2 264.369 1.943 20 30 CDEDLP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H](C)C#N ZINC000114455591 266285466 /nfs/dbraw/zinc/28/54/66/266285466.db2.gz YVYAPYWGRURFQL-AWEZNQCLSA-N 2 2 294.443 1.457 20 30 CDEDLP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H](C)C#N ZINC000114455591 266285471 /nfs/dbraw/zinc/28/54/71/266285471.db2.gz YVYAPYWGRURFQL-AWEZNQCLSA-N 2 2 294.443 1.457 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331491704 289250984 /nfs/dbraw/zinc/25/09/84/289250984.db2.gz ASMATGRKDPCMDC-GDBMZVCRSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331491704 289250989 /nfs/dbraw/zinc/25/09/89/289250989.db2.gz ASMATGRKDPCMDC-GDBMZVCRSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331491704 289250990 /nfs/dbraw/zinc/25/09/90/289250990.db2.gz ASMATGRKDPCMDC-GDBMZVCRSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331491704 289250993 /nfs/dbraw/zinc/25/09/93/289250993.db2.gz ASMATGRKDPCMDC-GDBMZVCRSA-N 2 2 292.427 1.165 20 30 CDEDLP COc1cccc([C@@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)c1 ZINC000261778404 327274073 /nfs/dbraw/zinc/27/40/73/327274073.db2.gz PFULLFQDAMFTPB-BXUZGUMPSA-N 2 2 276.384 1.235 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152495791 327276542 /nfs/dbraw/zinc/27/65/42/327276542.db2.gz VYIRZWOCGVHTGL-HUUCEWRRSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152495791 327276544 /nfs/dbraw/zinc/27/65/44/327276544.db2.gz VYIRZWOCGVHTGL-HUUCEWRRSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152495791 327276545 /nfs/dbraw/zinc/27/65/45/327276545.db2.gz VYIRZWOCGVHTGL-HUUCEWRRSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152495791 327276547 /nfs/dbraw/zinc/27/65/47/327276547.db2.gz VYIRZWOCGVHTGL-HUUCEWRRSA-N 2 2 294.443 1.268 20 30 CDEDLP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccccn1 ZINC000261974696 329993104 /nfs/dbraw/zinc/99/31/04/329993104.db2.gz FPHRLUHQWQQOOX-UHFFFAOYSA-N 2 2 284.367 1.584 20 30 CDEDLP CC[C@H](C)[NH2+][C@@H](CNC1=[NH+]C[C@@H](C)N1)c1ccco1 ZINC000262687396 330027171 /nfs/dbraw/zinc/02/71/71/330027171.db2.gz YXFSXDZHSYIMIB-TUAOUCFPSA-N 2 2 264.373 1.646 20 30 CDEDLP C#CCNC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000491808125 332361285 /nfs/dbraw/zinc/36/12/85/332361285.db2.gz UINLSMWDTHAVEP-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C#CCNC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000491808125 332361286 /nfs/dbraw/zinc/36/12/86/332361286.db2.gz UINLSMWDTHAVEP-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C#CCNC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000491808125 332361287 /nfs/dbraw/zinc/36/12/87/332361287.db2.gz UINLSMWDTHAVEP-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C#CCNC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000491808125 332361289 /nfs/dbraw/zinc/36/12/89/332361289.db2.gz UINLSMWDTHAVEP-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C=CCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001755356734 1160042032 /nfs/dbraw/zinc/04/20/32/1160042032.db2.gz VYYIADRCJYKEDU-UHFFFAOYSA-N 2 2 290.411 1.868 20 30 CDEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001113536162 1162208744 /nfs/dbraw/zinc/20/87/44/1162208744.db2.gz GWLMHXHUSHPKQI-CQSZACIVSA-N 2 2 290.411 1.462 20 30 CDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 ZINC000050797920 523766562 /nfs/dbraw/zinc/76/65/62/523766562.db2.gz LQDBVZBGBOXDLM-UHFFFAOYSA-N 2 2 292.427 1.211 20 30 CDEDLP C=CC[N@@H+](CCc1ccco1)CC(=O)N1CC[NH+](C)CC1 ZINC000352721812 526325271 /nfs/dbraw/zinc/32/52/71/526325271.db2.gz XPGXJXZOMHPNKA-UHFFFAOYSA-N 2 2 291.395 1.084 20 30 CDEDLP C=CC[N@H+](CCc1ccco1)CC(=O)N1CC[NH+](C)CC1 ZINC000352721812 526325272 /nfs/dbraw/zinc/32/52/72/526325272.db2.gz XPGXJXZOMHPNKA-UHFFFAOYSA-N 2 2 291.395 1.084 20 30 CDEDLP C=CCc1cc(C[N@H+](C)[C@@H](C)C[NH3+])cc(OC)c1O ZINC000347109772 527235072 /nfs/dbraw/zinc/23/50/72/527235072.db2.gz PMOTWAMVXVPHIZ-NSHDSACASA-N 2 2 264.369 1.908 20 30 CDEDLP C=CCc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])cc(OC)c1O ZINC000347109772 527235076 /nfs/dbraw/zinc/23/50/76/527235076.db2.gz PMOTWAMVXVPHIZ-NSHDSACASA-N 2 2 264.369 1.908 20 30 CDEDLP CC(C)[NH+]1CCC([NH+]2CCN(CC3(C#N)CC3)CC2)CC1 ZINC000347480603 528992837 /nfs/dbraw/zinc/99/28/37/528992837.db2.gz ODTWMOSAZOBCGW-UHFFFAOYSA-N 2 2 290.455 1.781 20 30 CDEDLP CC(C)[NH+]1CCC(N2CC[NH+](CC3(C#N)CC3)CC2)CC1 ZINC000347480603 528992844 /nfs/dbraw/zinc/99/28/44/528992844.db2.gz ODTWMOSAZOBCGW-UHFFFAOYSA-N 2 2 290.455 1.781 20 30 CDEDLP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000756104874 576977430 /nfs/dbraw/zinc/97/74/30/576977430.db2.gz BBNUDGTVHTWAKR-MRXNPFEDSA-N 2 2 284.407 1.821 20 30 CDEDLP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000756104874 576977431 /nfs/dbraw/zinc/97/74/31/576977431.db2.gz BBNUDGTVHTWAKR-MRXNPFEDSA-N 2 2 284.407 1.821 20 30 CDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000964013917 612954620 /nfs/dbraw/zinc/95/46/20/612954620.db2.gz PNXMRWSXRGFYHB-FZOOGMQUSA-N 2 2 298.390 1.163 20 30 CDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000964013917 612954621 /nfs/dbraw/zinc/95/46/21/612954621.db2.gz PNXMRWSXRGFYHB-FZOOGMQUSA-N 2 2 298.390 1.163 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981686987 613155208 /nfs/dbraw/zinc/15/52/08/613155208.db2.gz BGPANJJXJQUMPA-INIZCTEOSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981686987 613155211 /nfs/dbraw/zinc/15/52/11/613155211.db2.gz BGPANJJXJQUMPA-INIZCTEOSA-N 2 2 289.423 1.028 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000950631306 613295017 /nfs/dbraw/zinc/29/50/17/613295017.db2.gz KFJIGFCOHWFPGR-OAHLLOKOSA-N 2 2 279.428 1.580 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000950631306 613295019 /nfs/dbraw/zinc/29/50/19/613295019.db2.gz KFJIGFCOHWFPGR-OAHLLOKOSA-N 2 2 279.428 1.580 20 30 CDEDLP CC#CC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982050871 613548929 /nfs/dbraw/zinc/54/89/29/613548929.db2.gz GXWICJWACMYMEE-HNNXBMFYSA-N 2 2 288.395 1.392 20 30 CDEDLP CC#CC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982050871 613548931 /nfs/dbraw/zinc/54/89/31/613548931.db2.gz GXWICJWACMYMEE-HNNXBMFYSA-N 2 2 288.395 1.392 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(F)ncc1F ZINC000894863833 619107564 /nfs/dbraw/zinc/10/75/64/619107564.db2.gz WGCCJKDKOMBDKZ-UHFFFAOYSA-N 2 2 253.296 1.405 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(F)ncc1F ZINC000894863833 619107567 /nfs/dbraw/zinc/10/75/67/619107567.db2.gz WGCCJKDKOMBDKZ-UHFFFAOYSA-N 2 2 253.296 1.405 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488845 1162638782 /nfs/dbraw/zinc/63/87/82/1162638782.db2.gz YBUYYIKUDFDEMO-CYBMUJFWSA-N 2 2 276.384 1.118 20 30 CDEDLP CC#CC[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113722793 1162267040 /nfs/dbraw/zinc/26/70/40/1162267040.db2.gz CKFVZVJCIHCOLQ-UHFFFAOYSA-N 2 2 291.439 1.420 20 30 CDEDLP C#CC[N@H+](CC)CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001752219825 1184838646 /nfs/dbraw/zinc/83/86/46/1184838646.db2.gz NBMBNDONSQFDBC-CYBMUJFWSA-N 2 2 276.384 1.050 20 30 CDEDLP C#CC[N@@H+](CC)CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001752219825 1184838650 /nfs/dbraw/zinc/83/86/50/1184838650.db2.gz NBMBNDONSQFDBC-CYBMUJFWSA-N 2 2 276.384 1.050 20 30 CDEDLP C#CC[N@H+](CC)CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001752219825 1184838656 /nfs/dbraw/zinc/83/86/56/1184838656.db2.gz NBMBNDONSQFDBC-CYBMUJFWSA-N 2 2 276.384 1.050 20 30 CDEDLP C#CC[N@@H+](CC)CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001752219825 1184838659 /nfs/dbraw/zinc/83/86/59/1184838659.db2.gz NBMBNDONSQFDBC-CYBMUJFWSA-N 2 2 276.384 1.050 20 30 CDEDLP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752972025 1184980263 /nfs/dbraw/zinc/98/02/63/1184980263.db2.gz SLWFAOJLWOTIMA-UONOGXRCSA-N 2 2 288.395 1.383 20 30 CDEDLP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752972025 1184980267 /nfs/dbraw/zinc/98/02/67/1184980267.db2.gz SLWFAOJLWOTIMA-UONOGXRCSA-N 2 2 288.395 1.383 20 30 CDEDLP C=C(C)C[N@H+](CC)CCNC(=O)CCc1c[nH+]cn1C ZINC001753094083 1185054662 /nfs/dbraw/zinc/05/46/62/1185054662.db2.gz VJPYDRZNAMWNMJ-UHFFFAOYSA-N 2 2 278.400 1.367 20 30 CDEDLP C=C(C)C[N@@H+](CC)CCNC(=O)CCc1c[nH+]cn1C ZINC001753094083 1185054666 /nfs/dbraw/zinc/05/46/66/1185054666.db2.gz VJPYDRZNAMWNMJ-UHFFFAOYSA-N 2 2 278.400 1.367 20 30 CDEDLP C#CCC[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001753117448 1185068422 /nfs/dbraw/zinc/06/84/22/1185068422.db2.gz ATKDYEIWLAOKBL-HNNXBMFYSA-N 2 2 288.395 1.267 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001753117448 1185068427 /nfs/dbraw/zinc/06/84/27/1185068427.db2.gz ATKDYEIWLAOKBL-HNNXBMFYSA-N 2 2 288.395 1.267 20 30 CDEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755593168 1186005244 /nfs/dbraw/zinc/00/52/44/1186005244.db2.gz TUNZKOUWFZXKQQ-ZDUSSCGKSA-N 2 2 290.411 1.386 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(CC)[nH+]c(C)n2)C1 ZINC000884612771 782412335 /nfs/dbraw/zinc/41/23/35/782412335.db2.gz TZFOAMAZDJUYIB-CQSZACIVSA-N 2 2 258.369 1.857 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(CC)[nH+]c(C)n2)C1 ZINC000884612771 782412357 /nfs/dbraw/zinc/41/23/57/782412357.db2.gz TZFOAMAZDJUYIB-CQSZACIVSA-N 2 2 258.369 1.857 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076460916 782573792 /nfs/dbraw/zinc/57/37/92/782573792.db2.gz IPGIVWXUFWYROI-DZGCQCFKSA-N 2 2 288.395 1.071 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076460916 782573801 /nfs/dbraw/zinc/57/38/01/782573801.db2.gz IPGIVWXUFWYROI-DZGCQCFKSA-N 2 2 288.395 1.071 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]12 ZINC001026387997 782838639 /nfs/dbraw/zinc/83/86/39/782838639.db2.gz HOFWNXBQCNPPCU-MGPQQGTHSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC000995922006 780248622 /nfs/dbraw/zinc/24/86/22/780248622.db2.gz ILSMDOCVIIGWLY-BZPMIXESSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC000995922006 780248631 /nfs/dbraw/zinc/24/86/31/780248631.db2.gz ILSMDOCVIIGWLY-BZPMIXESSA-N 2 2 288.395 1.526 20 30 CDEDLP CCNC(NCc1ccc(-n2cc[nH+]c2)cc1)=[NH+]CC ZINC000303253541 780259331 /nfs/dbraw/zinc/25/93/31/780259331.db2.gz CZQAZEOEICEWCC-UHFFFAOYSA-N 2 2 271.368 1.947 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036909260 780904151 /nfs/dbraw/zinc/90/41/51/780904151.db2.gz BPKCLJUQBOUSGB-GJZGRUSLSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036909260 780904193 /nfs/dbraw/zinc/90/41/93/780904193.db2.gz BPKCLJUQBOUSGB-GJZGRUSLSA-N 2 2 288.395 1.382 20 30 CDEDLP C[C@@H]1CCCN(C(=[NH2+])NCCCNc2cccc[nH+]2)C1 ZINC000170905281 781370587 /nfs/dbraw/zinc/37/05/87/781370587.db2.gz FXTNRLGCUOPDOF-CYBMUJFWSA-N 2 2 275.400 1.930 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC000986605098 781442630 /nfs/dbraw/zinc/44/26/30/781442630.db2.gz WPICLKYEZKZHKX-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C[C@@H]1CCCN(C(=[NH2+])NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000261983800 783290364 /nfs/dbraw/zinc/29/03/64/783290364.db2.gz JGEPWOQQWREWKP-CYBMUJFWSA-N 2 2 289.427 1.809 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049927824 783359050 /nfs/dbraw/zinc/35/90/50/783359050.db2.gz OBMPCMGNXTZYHP-HUUCEWRRSA-N 2 2 288.395 1.525 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049927824 783359059 /nfs/dbraw/zinc/35/90/59/783359059.db2.gz OBMPCMGNXTZYHP-HUUCEWRRSA-N 2 2 288.395 1.525 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246728 783382925 /nfs/dbraw/zinc/38/29/25/783382925.db2.gz HZZHVQFDZJOGMP-HIFRSBDPSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246728 783382934 /nfs/dbraw/zinc/38/29/34/783382934.db2.gz HZZHVQFDZJOGMP-HIFRSBDPSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127289108 913563434 /nfs/dbraw/zinc/56/34/34/913563434.db2.gz UEXINQHLRHCPJL-UHFFFAOYSA-N 2 2 292.770 1.715 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175629851 913697732 /nfs/dbraw/zinc/69/77/32/913697732.db2.gz LYORQXGWJHLPCN-KBPBESRZSA-N 2 2 290.411 1.486 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175629851 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CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001044836990 935871408 /nfs/dbraw/zinc/87/14/08/935871408.db2.gz NKLZFTPRNZLUEW-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001096020545 935882343 /nfs/dbraw/zinc/88/23/43/935882343.db2.gz JQWJWPOQYKMUSC-ILXRZTDVSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096020545 935882346 /nfs/dbraw/zinc/88/23/46/935882346.db2.gz JQWJWPOQYKMUSC-ILXRZTDVSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096020545 935882349 /nfs/dbraw/zinc/88/23/49/935882349.db2.gz JQWJWPOQYKMUSC-ILXRZTDVSA-N 2 2 289.423 1.073 20 30 CDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096433674 936084969 /nfs/dbraw/zinc/08/49/69/936084969.db2.gz SAHRATNFMMQMQM-XBFCOCLRSA-N 2 2 274.368 1.168 20 30 CDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096433674 936084974 /nfs/dbraw/zinc/08/49/74/936084974.db2.gz SAHRATNFMMQMQM-XBFCOCLRSA-N 2 2 274.368 1.168 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750590 936175669 /nfs/dbraw/zinc/17/56/69/936175669.db2.gz MKTLCHFFXZOFPZ-LSDHHAIUSA-N 2 2 288.395 1.594 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750590 936175671 /nfs/dbraw/zinc/17/56/71/936175671.db2.gz MKTLCHFFXZOFPZ-LSDHHAIUSA-N 2 2 288.395 1.594 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161310291 938886591 /nfs/dbraw/zinc/88/65/91/938886591.db2.gz SVHHZSDJRLSCRJ-CQSZACIVSA-N 2 2 290.411 1.508 20 30 CDEDLP Cc1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)c(C#N)n1 ZINC001164210700 939430473 /nfs/dbraw/zinc/43/04/73/939430473.db2.gz GVBMUKANMOEDLP-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP C=CCC[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206688259 940079171 /nfs/dbraw/zinc/07/91/71/940079171.db2.gz NWBRGHZSDQMJCK-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP N#Cc1oc2ccccc2c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218627254 941247731 /nfs/dbraw/zinc/24/77/31/941247731.db2.gz DLBITUWHHLQYJQ-UHFFFAOYSA-N 2 2 284.319 1.324 20 30 CDEDLP N#Cc1cc[nH]c1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218654577 941253448 /nfs/dbraw/zinc/25/34/48/941253448.db2.gz BSVDPPRLZGTDOD-LBPRGKRZSA-N 2 2 269.308 1.097 20 30 CDEDLP CC#CC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229392916 942463481 /nfs/dbraw/zinc/46/34/81/942463481.db2.gz ILZJNKMNEPQFEO-AWEZNQCLSA-N 2 2 288.395 1.438 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229691958 942513899 /nfs/dbraw/zinc/51/38/99/942513899.db2.gz BYTNKVMDZIMJHB-HUUCEWRRSA-N 2 2 290.411 1.556 20 30 CDEDLP C#CCO[C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001330566003 956484256 /nfs/dbraw/zinc/48/42/56/956484256.db2.gz XDJHWYAATGBUHR-NSHDSACASA-N 2 2 284.319 1.553 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001366650630 957080891 /nfs/dbraw/zinc/08/08/91/957080891.db2.gz BTCHTXPDEKMJOD-ZDUSSCGKSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001366650630 957080897 /nfs/dbraw/zinc/08/08/97/957080897.db2.gz BTCHTXPDEKMJOD-ZDUSSCGKSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001348853618 966206790 /nfs/dbraw/zinc/20/67/90/966206790.db2.gz HQDWCVQVEGCNIR-UHFFFAOYSA-N 2 2 276.384 1.244 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001445768657 966328037 /nfs/dbraw/zinc/32/80/37/966328037.db2.gz VYSOPQVPGHYEMX-ZDUSSCGKSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001445768657 966328044 /nfs/dbraw/zinc/32/80/44/966328044.db2.gz VYSOPQVPGHYEMX-ZDUSSCGKSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001403134442 976752061 /nfs/dbraw/zinc/75/20/61/976752061.db2.gz IDGPGJPSWLKPQK-GFCCVEGCSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001403134442 976752069 /nfs/dbraw/zinc/75/20/69/976752069.db2.gz IDGPGJPSWLKPQK-GFCCVEGCSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001403134442 976752077 /nfs/dbraw/zinc/75/20/77/976752077.db2.gz IDGPGJPSWLKPQK-GFCCVEGCSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001403134442 976752084 /nfs/dbraw/zinc/75/20/84/976752084.db2.gz IDGPGJPSWLKPQK-GFCCVEGCSA-N 2 2 287.835 1.660 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133189529 1163601924 /nfs/dbraw/zinc/60/19/24/1163601924.db2.gz AFNUIRBFGLMCTR-CHWSQXEVSA-N 2 2 276.384 1.212 20 30 CDEDLP C[NH+]1CCN(c2ncc(C=[NH+]OC3CCC3)cn2)CC1 ZINC000812236850 1163606842 /nfs/dbraw/zinc/60/68/42/1163606842.db2.gz XARUEAAAHZQJGE-UHFFFAOYSA-N 2 2 275.356 1.131 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCOCCC#N)CC1 ZINC000593988529 342860912 /nfs/dbraw/zinc/86/09/12/342860912.db2.gz OKMDQNKYIYRJQD-CQSZACIVSA-N 2 2 281.400 1.102 20 30 CDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCOCCC#N)CC1 ZINC000593988529 342860913 /nfs/dbraw/zinc/86/09/13/342860913.db2.gz OKMDQNKYIYRJQD-CQSZACIVSA-N 2 2 281.400 1.102 20 30 CDEDLP N#Cc1csc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594994444 342995053 /nfs/dbraw/zinc/99/50/53/342995053.db2.gz VYDSPGYEFUICLX-AWEZNQCLSA-N 2 2 291.420 1.963 20 30 CDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000595895629 343183094 /nfs/dbraw/zinc/18/30/94/343183094.db2.gz QWRKAFWKHZEQBI-HOTGVXAUSA-N 2 2 255.365 1.785 20 30 CDEDLP N#Cc1ccc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000595895629 343183097 /nfs/dbraw/zinc/18/30/97/343183097.db2.gz QWRKAFWKHZEQBI-HOTGVXAUSA-N 2 2 255.365 1.785 20 30 CDEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NCC1CC1 ZINC000080517370 342355385 /nfs/dbraw/zinc/35/53/85/342355385.db2.gz MOXGMAJTPXYDEH-UHFFFAOYSA-N 2 2 285.395 1.920 20 30 CDEDLP Cc1cc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000596334538 343297643 /nfs/dbraw/zinc/29/76/43/343297643.db2.gz BJCPHMFUPNCVEL-ZDUSSCGKSA-N 2 2 258.369 1.968 20 30 CDEDLP Cc1cc(N[C@H]2CC[N@H+](C(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000596334538 343297646 /nfs/dbraw/zinc/29/76/46/343297646.db2.gz BJCPHMFUPNCVEL-ZDUSSCGKSA-N 2 2 258.369 1.968 20 30 CDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721221 343883528 /nfs/dbraw/zinc/88/35/28/343883528.db2.gz TYODXHSTCWJURI-UONOGXRCSA-N 2 2 267.417 1.751 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621778172 350774885 /nfs/dbraw/zinc/77/48/85/350774885.db2.gz LTANWOUPZCUVOC-DZGCQCFKSA-N 2 2 263.385 1.000 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621778172 350774888 /nfs/dbraw/zinc/77/48/88/350774888.db2.gz LTANWOUPZCUVOC-DZGCQCFKSA-N 2 2 263.385 1.000 20 30 CDEDLP C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271898325 191397162 /nfs/dbraw/zinc/39/71/62/191397162.db2.gz UUGUFMWIVUTKPN-CYBMUJFWSA-N 2 2 273.380 1.493 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000337207346 360039934 /nfs/dbraw/zinc/03/99/34/360039934.db2.gz OKRFHUFQGVFQRH-ZIAGYGMSSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000337207346 360039936 /nfs/dbraw/zinc/03/99/36/360039936.db2.gz OKRFHUFQGVFQRH-ZIAGYGMSSA-N 2 2 265.401 1.189 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157346776 360847558 /nfs/dbraw/zinc/84/75/58/360847558.db2.gz QOGDUFPCRRCQBL-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157346776 360847561 /nfs/dbraw/zinc/84/75/61/360847561.db2.gz QOGDUFPCRRCQBL-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369998 363987480 /nfs/dbraw/zinc/98/74/80/363987480.db2.gz FETCFFKJVAHJGH-SWLSCSKDSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369998 363987482 /nfs/dbraw/zinc/98/74/82/363987482.db2.gz FETCFFKJVAHJGH-SWLSCSKDSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369998 363987485 /nfs/dbraw/zinc/98/74/85/363987485.db2.gz FETCFFKJVAHJGH-SWLSCSKDSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369998 363987486 /nfs/dbraw/zinc/98/74/86/363987486.db2.gz FETCFFKJVAHJGH-SWLSCSKDSA-N 2 2 298.394 1.373 20 30 CDEDLP C=CCNC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182247761 365076057 /nfs/dbraw/zinc/07/60/57/365076057.db2.gz JQVXLUXAVQEYTD-CYBMUJFWSA-N 2 2 284.363 1.825 20 30 CDEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C)c1ccco1 ZINC000170910030 365161243 /nfs/dbraw/zinc/16/12/43/365161243.db2.gz WLXOTAVQKPOMQC-NSHDSACASA-N 2 2 252.362 1.539 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375756074 370954506 /nfs/dbraw/zinc/95/45/06/370954506.db2.gz HWWGNBCSPCRACA-XYPWUTKMSA-N 2 2 293.455 1.968 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375756074 370954509 /nfs/dbraw/zinc/95/45/09/370954509.db2.gz HWWGNBCSPCRACA-XYPWUTKMSA-N 2 2 293.455 1.968 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375756074 370954512 /nfs/dbraw/zinc/95/45/12/370954512.db2.gz HWWGNBCSPCRACA-XYPWUTKMSA-N 2 2 293.455 1.968 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375756074 370954514 /nfs/dbraw/zinc/95/45/14/370954514.db2.gz HWWGNBCSPCRACA-XYPWUTKMSA-N 2 2 293.455 1.968 20 30 CDEDLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)CCO1 ZINC000331736402 204107400 /nfs/dbraw/zinc/10/74/00/204107400.db2.gz BJOXZSQAMQTTNC-CZUORRHYSA-N 2 2 299.378 1.640 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000177908317 372127312 /nfs/dbraw/zinc/12/73/12/372127312.db2.gz VUEOSGFQJBVYNS-IJEWVQPXSA-N 3 2 265.445 1.955 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000177908317 372127317 /nfs/dbraw/zinc/12/73/17/372127317.db2.gz VUEOSGFQJBVYNS-IJEWVQPXSA-N 3 2 265.445 1.955 20 30 CDEDLP C[C@H]1C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000515060494 374115726 /nfs/dbraw/zinc/11/57/26/374115726.db2.gz MCSXHBFALJQHMD-FZMZJTMJSA-N 2 2 284.367 1.173 20 30 CDEDLP C[C@H]1C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1C ZINC000515060494 374115728 /nfs/dbraw/zinc/11/57/28/374115728.db2.gz MCSXHBFALJQHMD-FZMZJTMJSA-N 2 2 284.367 1.173 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839427 374230958 /nfs/dbraw/zinc/23/09/58/374230958.db2.gz XDYNYADYOYMNFJ-CVEARBPZSA-N 2 2 271.364 1.511 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839427 374230964 /nfs/dbraw/zinc/23/09/64/374230964.db2.gz XDYNYADYOYMNFJ-CVEARBPZSA-N 2 2 271.364 1.511 20 30 CDEDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)o2)CCCO1 ZINC000277928852 374822855 /nfs/dbraw/zinc/82/28/55/374822855.db2.gz QJWUFKJIRLYKSA-ZDUSSCGKSA-N 2 2 277.368 1.742 20 30 CDEDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C#N)o2)CCCO1 ZINC000277928852 374822863 /nfs/dbraw/zinc/82/28/63/374822863.db2.gz QJWUFKJIRLYKSA-ZDUSSCGKSA-N 2 2 277.368 1.742 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004054519 781971727 /nfs/dbraw/zinc/97/17/27/781971727.db2.gz WTGCJHCICKEQHB-UHFFFAOYSA-N 2 2 276.384 1.417 20 30 CDEDLP CC(C)[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000108371478 391345340 /nfs/dbraw/zinc/34/53/40/391345340.db2.gz YHOAPEGRLYWWKY-CYBMUJFWSA-N 2 2 280.416 1.209 20 30 CDEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000411255199 391418302 /nfs/dbraw/zinc/41/83/02/391418302.db2.gz GMDKYDYTEIMYKG-LSDHHAIUSA-N 2 2 265.401 1.723 20 30 CDEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000411255199 391418305 /nfs/dbraw/zinc/41/83/05/391418305.db2.gz GMDKYDYTEIMYKG-LSDHHAIUSA-N 2 2 265.401 1.723 20 30 CDEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000411255141 391418374 /nfs/dbraw/zinc/41/83/74/391418374.db2.gz GMDKYDYTEIMYKG-CABCVRRESA-N 2 2 265.401 1.723 20 30 CDEDLP C[C@H](CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000411255141 391418377 /nfs/dbraw/zinc/41/83/77/391418377.db2.gz GMDKYDYTEIMYKG-CABCVRRESA-N 2 2 265.401 1.723 20 30 CDEDLP [NH2+]=C(NCCc1cn2ccccc2[nH+]1)NC1CCCC1 ZINC000261713003 391682719 /nfs/dbraw/zinc/68/27/19/391682719.db2.gz DYAHVHFIOXVSOS-UHFFFAOYSA-N 2 2 271.368 1.724 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000191389825 130230235 /nfs/dbraw/zinc/23/02/35/130230235.db2.gz QICGCSGFOLBHDJ-AWEZNQCLSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000191389825 130230237 /nfs/dbraw/zinc/23/02/37/130230237.db2.gz QICGCSGFOLBHDJ-AWEZNQCLSA-N 2 2 272.396 1.814 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)C2CCOCC2)CC1 ZINC000187977185 392115615 /nfs/dbraw/zinc/11/56/15/392115615.db2.gz JIGLVVJAXSALIB-INIZCTEOSA-N 2 2 282.428 1.668 20 30 CDEDLP C[NH+]1CCC(C#N)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000932177870 781996480 /nfs/dbraw/zinc/99/64/80/781996480.db2.gz FXEYAJGSWNDSPV-UHFFFAOYSA-N 2 2 283.335 1.281 20 30 CDEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000234944732 140233321 /nfs/dbraw/zinc/23/33/21/140233321.db2.gz VKQRLPQWLAYBCH-SWLSCSKDSA-N 2 2 273.380 1.997 20 30 CDEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000234944732 140233323 /nfs/dbraw/zinc/23/33/23/140233323.db2.gz VKQRLPQWLAYBCH-SWLSCSKDSA-N 2 2 273.380 1.997 20 30 CDEDLP CCC#C[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660480171 413156429 /nfs/dbraw/zinc/15/64/29/413156429.db2.gz SFZYNOYGYQBPCC-HOTGVXAUSA-N 2 2 264.413 1.975 20 30 CDEDLP CCC#C[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660480171 413156436 /nfs/dbraw/zinc/15/64/36/413156436.db2.gz SFZYNOYGYQBPCC-HOTGVXAUSA-N 2 2 264.413 1.975 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000657314658 414157444 /nfs/dbraw/zinc/15/74/44/414157444.db2.gz ZDRTYVWWXODYDJ-HIFRSBDPSA-N 2 2 275.400 1.571 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000657314658 414157450 /nfs/dbraw/zinc/15/74/50/414157450.db2.gz ZDRTYVWWXODYDJ-HIFRSBDPSA-N 2 2 275.400 1.571 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000657314657 414158185 /nfs/dbraw/zinc/15/81/85/414158185.db2.gz ZDRTYVWWXODYDJ-DZGCQCFKSA-N 2 2 275.400 1.571 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000657314657 414158189 /nfs/dbraw/zinc/15/81/89/414158189.db2.gz ZDRTYVWWXODYDJ-DZGCQCFKSA-N 2 2 275.400 1.571 20 30 CDEDLP N#CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364128388 262152413 /nfs/dbraw/zinc/15/24/13/262152413.db2.gz DYIHTVRXYCYHKB-UHFFFAOYSA-N 2 2 251.374 1.334 20 30 CDEDLP CCc1cccc(NC(=[NH2+])NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000264129892 262877428 /nfs/dbraw/zinc/87/74/28/262877428.db2.gz XSGQNMFEEKIRKD-CQSZACIVSA-N 2 2 276.384 1.306 20 30 CDEDLP CCc1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000264129892 262877431 /nfs/dbraw/zinc/87/74/31/262877431.db2.gz XSGQNMFEEKIRKD-CQSZACIVSA-N 2 2 276.384 1.306 20 30 CDEDLP C=CCCCCCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653092244 424005302 /nfs/dbraw/zinc/00/53/02/424005302.db2.gz WSSQHEUSZREAAA-CYBMUJFWSA-N 2 2 255.406 1.470 20 30 CDEDLP Cn1c[nH+]cc1CO[NH+]=C(N)CCc1ccccc1 ZINC000267814662 328180512 /nfs/dbraw/zinc/18/05/12/328180512.db2.gz VDEYDANQIFTQRU-UHFFFAOYSA-N 2 2 258.325 1.842 20 30 CDEDLP C=CCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177137177 329180613 /nfs/dbraw/zinc/18/06/13/329180613.db2.gz FOGSXINNDBRXST-UHFFFAOYSA-N 2 2 253.390 1.095 20 30 CDEDLP CC[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)NC(C)C ZINC000262588804 330022493 /nfs/dbraw/zinc/02/24/93/330022493.db2.gz UCBISASGUAIAQE-OKILXGFUSA-N 2 2 298.475 1.838 20 30 CDEDLP CC[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NC(C)C ZINC000262588804 330022495 /nfs/dbraw/zinc/02/24/95/330022495.db2.gz UCBISASGUAIAQE-OKILXGFUSA-N 2 2 298.475 1.838 20 30 CDEDLP CSc1ccc([C@@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1 ZINC000263211881 330049449 /nfs/dbraw/zinc/04/94/49/330049449.db2.gz ZDYWHANTBMNDMP-BXUZGUMPSA-N 2 2 292.452 1.949 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422863544 330158042 /nfs/dbraw/zinc/15/80/42/330158042.db2.gz RXPMSRJOATXXIL-UKRRQHHQSA-N 3 2 251.418 1.744 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422979619 330162467 /nfs/dbraw/zinc/16/24/67/330162467.db2.gz NFTJTQNCMRPWHQ-UKRRQHHQSA-N 3 2 251.418 1.744 20 30 CDEDLP C=CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000121393846 330399832 /nfs/dbraw/zinc/39/98/32/330399832.db2.gz QQNQVIVRLSEYSQ-UHFFFAOYSA-N 2 2 277.368 1.042 20 30 CDEDLP C=CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000121393846 330399833 /nfs/dbraw/zinc/39/98/33/330399833.db2.gz QQNQVIVRLSEYSQ-UHFFFAOYSA-N 2 2 277.368 1.042 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000490781265 332115658 /nfs/dbraw/zinc/11/56/58/332115658.db2.gz ZBKXZEOVIXTHBU-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCCCC2)CC1 ZINC000490781265 332115659 /nfs/dbraw/zinc/11/56/59/332115659.db2.gz ZBKXZEOVIXTHBU-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nn1 ZINC000576936966 335266049 /nfs/dbraw/zinc/26/60/49/335266049.db2.gz QPKIRAJYOHKIID-HRCADAONSA-N 2 2 289.427 1.865 20 30 CDEDLP COCC#CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000677478291 482680571 /nfs/dbraw/zinc/68/05/71/482680571.db2.gz UGGLIYDVFPMDMY-CALCHBBNSA-N 2 2 293.455 1.127 20 30 CDEDLP COCC#CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000677478291 482680573 /nfs/dbraw/zinc/68/05/73/482680573.db2.gz UGGLIYDVFPMDMY-CALCHBBNSA-N 2 2 293.455 1.127 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106068729 1161034740 /nfs/dbraw/zinc/03/47/40/1161034740.db2.gz NGSGVSFDLGMUKS-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCOCC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113035264 1162079605 /nfs/dbraw/zinc/07/96/05/1162079605.db2.gz RRLFLPPWRIOJCS-UHFFFAOYSA-N 2 2 297.443 1.064 20 30 CDEDLP C=CCOCC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113035264 1162079608 /nfs/dbraw/zinc/07/96/08/1162079608.db2.gz RRLFLPPWRIOJCS-UHFFFAOYSA-N 2 2 297.443 1.064 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000748815792 576926621 /nfs/dbraw/zinc/92/66/21/576926621.db2.gz GYKIVOQGPQLZNF-HUUCEWRRSA-N 2 2 277.412 1.027 20 30 CDEDLP C=C(C)CC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000949554863 613257789 /nfs/dbraw/zinc/25/77/89/613257789.db2.gz VJJIOBPXHTYUEL-UHFFFAOYSA-N 2 2 276.384 1.384 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947929965 613521714 /nfs/dbraw/zinc/52/17/14/613521714.db2.gz PIJHIOAHDSAADU-UONOGXRCSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947929965 613521717 /nfs/dbraw/zinc/52/17/17/613521717.db2.gz PIJHIOAHDSAADU-UONOGXRCSA-N 2 2 290.411 1.508 20 30 CDEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969973387 613532236 /nfs/dbraw/zinc/53/22/36/613532236.db2.gz NAKXGJIXBYMGOG-GFCCVEGCSA-N 2 2 296.374 1.636 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947979647 613535582 /nfs/dbraw/zinc/53/55/82/613535582.db2.gz JMJZPBZMPKDLTK-JSGCOSHPSA-N 2 2 290.411 1.806 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947979647 613535584 /nfs/dbraw/zinc/53/55/84/613535584.db2.gz JMJZPBZMPKDLTK-JSGCOSHPSA-N 2 2 290.411 1.806 20 30 CDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000926501284 617914708 /nfs/dbraw/zinc/91/47/08/617914708.db2.gz JJHJQCUGCFLGGW-ZIAGYGMSSA-N 2 2 267.417 1.751 20 30 CDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000926501284 617914716 /nfs/dbraw/zinc/91/47/16/617914716.db2.gz JJHJQCUGCFLGGW-ZIAGYGMSSA-N 2 2 267.417 1.751 20 30 CDEDLP C=CCC[C@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OCC ZINC000894759382 619042703 /nfs/dbraw/zinc/04/27/03/619042703.db2.gz XSDZEVIBJJKLHW-AWEZNQCLSA-N 2 2 268.401 1.816 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)CNc2cccc[nH+]2)CC1 ZINC000900600532 623278055 /nfs/dbraw/zinc/27/80/55/623278055.db2.gz XGTKQNIALCOIMD-UHFFFAOYSA-N 2 2 274.368 1.260 20 30 CDEDLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000903718071 626063103 /nfs/dbraw/zinc/06/31/03/626063103.db2.gz YZLDLXWNLNOIDM-KGLIPLIRSA-N 2 2 265.401 1.899 20 30 CDEDLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000903718071 626063105 /nfs/dbraw/zinc/06/31/05/626063105.db2.gz YZLDLXWNLNOIDM-KGLIPLIRSA-N 2 2 265.401 1.899 20 30 CDEDLP C[NH+]=C(NCCCCn1cc[nH+]c1)NC(C)(C)C ZINC000912497283 630040167 /nfs/dbraw/zinc/04/01/67/630040167.db2.gz OVOISHMWHBDWRN-UHFFFAOYSA-N 2 2 251.378 1.627 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491585 1162635148 /nfs/dbraw/zinc/63/51/48/1162635148.db2.gz WONQCCKDVNAMJY-ZDUSSCGKSA-N 2 2 290.411 1.495 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491585 1162635151 /nfs/dbraw/zinc/63/51/51/1162635151.db2.gz WONQCCKDVNAMJY-ZDUSSCGKSA-N 2 2 290.411 1.495 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001022461107 1159030045 /nfs/dbraw/zinc/03/00/45/1159030045.db2.gz IJVSNJQUAFZZBN-OKILXGFUSA-N 2 2 271.364 1.490 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001752787907 1160273342 /nfs/dbraw/zinc/27/33/42/1160273342.db2.gz WSXFBPWKDXRSDF-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001752787907 1160273344 /nfs/dbraw/zinc/27/33/44/1160273344.db2.gz WSXFBPWKDXRSDF-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132087897 1163171764 /nfs/dbraw/zinc/17/17/64/1163171764.db2.gz SSALATDGPBXEIY-JSGCOSHPSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132087897 1163171768 /nfs/dbraw/zinc/17/17/68/1163171768.db2.gz SSALATDGPBXEIY-JSGCOSHPSA-N 2 2 276.384 1.497 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994419508 1161205315 /nfs/dbraw/zinc/20/53/15/1161205315.db2.gz IRFHNLUMLWRPPL-HIFRSBDPSA-N 2 2 288.395 1.184 20 30 CDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994419508 1161205320 /nfs/dbraw/zinc/20/53/20/1161205320.db2.gz IRFHNLUMLWRPPL-HIFRSBDPSA-N 2 2 288.395 1.184 20 30 CDEDLP C=CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222496 1163203897 /nfs/dbraw/zinc/20/38/97/1163203897.db2.gz YOURIOBTPCTRGB-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222496 1163203907 /nfs/dbraw/zinc/20/39/07/1163203907.db2.gz YOURIOBTPCTRGB-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001574902831 1171042672 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CDEDLP C=CCN(CC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1)C(=O)OCC ZINC001209024002 940425556 /nfs/dbraw/zinc/42/55/56/940425556.db2.gz OWZNLVDRNPIGPD-GASCZTMLSA-N 2 2 295.427 1.514 20 30 CDEDLP C=CCN(CC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1)C(=O)OCC ZINC001209024002 940425559 /nfs/dbraw/zinc/42/55/59/940425559.db2.gz OWZNLVDRNPIGPD-GASCZTMLSA-N 2 2 295.427 1.514 20 30 CDEDLP C=CCCC[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001209160979 940441729 /nfs/dbraw/zinc/44/17/29/940441729.db2.gz FOGGRHDMNVROHQ-UHFFFAOYSA-N 2 2 285.395 1.952 20 30 CDEDLP C=CCCC[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001209160979 940441730 /nfs/dbraw/zinc/44/17/30/940441730.db2.gz FOGGRHDMNVROHQ-UHFFFAOYSA-N 2 2 285.395 1.952 20 30 CDEDLP C#CCCC[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001209265884 940454906 /nfs/dbraw/zinc/45/49/06/940454906.db2.gz MTZVEAKNVZXWGI-UHFFFAOYSA-N 2 2 289.427 1.737 20 30 CDEDLP C#CCCC[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001209265884 940454908 /nfs/dbraw/zinc/45/49/08/940454908.db2.gz MTZVEAKNVZXWGI-UHFFFAOYSA-N 2 2 289.427 1.737 20 30 CDEDLP C#CCCC[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001209265884 940454910 /nfs/dbraw/zinc/45/49/10/940454910.db2.gz MTZVEAKNVZXWGI-UHFFFAOYSA-N 2 2 289.427 1.737 20 30 CDEDLP C#CCCC[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001209265884 940454912 /nfs/dbraw/zinc/45/49/12/940454912.db2.gz MTZVEAKNVZXWGI-UHFFFAOYSA-N 2 2 289.427 1.737 20 30 CDEDLP C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733900 940633376 /nfs/dbraw/zinc/63/33/76/940633376.db2.gz VBHZXBHVBYQMPD-ZDUSSCGKSA-N 2 2 290.367 1.371 20 30 CDEDLP C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733900 940633379 /nfs/dbraw/zinc/63/33/79/940633379.db2.gz VBHZXBHVBYQMPD-ZDUSSCGKSA-N 2 2 290.367 1.371 20 30 CDEDLP N#CCc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)ccc1F ZINC001219518668 941351664 /nfs/dbraw/zinc/35/16/64/941351664.db2.gz UCTDVUBYGKWDQU-UHFFFAOYSA-N 2 2 290.342 1.172 20 30 CDEDLP C#Cc1cccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c1 ZINC001231660453 942966069 /nfs/dbraw/zinc/96/60/69/942966069.db2.gz GQJSVXNJXHGMCN-UHFFFAOYSA-N 2 2 269.392 1.100 20 30 CDEDLP C=CCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001235768421 944272638 /nfs/dbraw/zinc/27/26/38/944272638.db2.gz CSBUQYWKOAOFFH-ZIAGYGMSSA-N 2 2 268.401 1.945 20 30 CDEDLP C=CCCCCCC[N@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001235768421 944272634 /nfs/dbraw/zinc/27/26/34/944272634.db2.gz CSBUQYWKOAOFFH-ZIAGYGMSSA-N 2 2 268.401 1.945 20 30 CDEDLP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c2cc(C#N)ccc21 ZINC001235990578 944355623 /nfs/dbraw/zinc/35/56/23/944355623.db2.gz MRYWBOOTOJENPF-WMLDXEAASA-N 2 2 280.375 1.973 20 30 CDEDLP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c2cc(C#N)ccc21 ZINC001235990578 944355631 /nfs/dbraw/zinc/35/56/31/944355631.db2.gz MRYWBOOTOJENPF-WMLDXEAASA-N 2 2 280.375 1.973 20 30 CDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(F)c1 ZINC001235993273 944359638 /nfs/dbraw/zinc/35/96/38/944359638.db2.gz GLSVSYNOYCZFKR-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(F)c1 ZINC001235993273 944359644 /nfs/dbraw/zinc/35/96/44/944359644.db2.gz GLSVSYNOYCZFKR-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP CC#CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702544141 944648240 /nfs/dbraw/zinc/64/82/40/944648240.db2.gz IFNBCJGAHCMNHN-MRXNPFEDSA-N 2 2 258.365 1.236 20 30 CDEDLP CC#CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702544141 944648244 /nfs/dbraw/zinc/64/82/44/944648244.db2.gz IFNBCJGAHCMNHN-MRXNPFEDSA-N 2 2 258.365 1.236 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])C1 ZINC001254650190 947572133 /nfs/dbraw/zinc/57/21/33/947572133.db2.gz UAZXIWVQUWDJQO-QZWWFDLISA-N 2 2 284.407 1.480 20 30 CDEDLP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246146928 947989158 /nfs/dbraw/zinc/98/91/58/947989158.db2.gz OXXJVPBXTZMIDV-KBPBESRZSA-N 3 2 264.417 1.533 20 30 CDEDLP C=C[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252553136 951442798 /nfs/dbraw/zinc/44/27/98/951442798.db2.gz SBQFVIKREGIZSI-HLLBOEOZSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252553136 951442802 /nfs/dbraw/zinc/44/28/02/951442802.db2.gz SBQFVIKREGIZSI-HLLBOEOZSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252553136 951442807 /nfs/dbraw/zinc/44/28/07/951442807.db2.gz SBQFVIKREGIZSI-HLLBOEOZSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252553136 951442814 /nfs/dbraw/zinc/44/28/14/951442814.db2.gz SBQFVIKREGIZSI-HLLBOEOZSA-N 2 2 287.407 1.382 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316983234 957180592 /nfs/dbraw/zinc/18/05/92/957180592.db2.gz QGKZITQWRJBSFU-ZDUSSCGKSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316983234 957180596 /nfs/dbraw/zinc/18/05/96/957180596.db2.gz QGKZITQWRJBSFU-ZDUSSCGKSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001316983234 957180602 /nfs/dbraw/zinc/18/06/02/957180602.db2.gz QGKZITQWRJBSFU-ZDUSSCGKSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001316983234 957180604 /nfs/dbraw/zinc/18/06/04/957180604.db2.gz QGKZITQWRJBSFU-ZDUSSCGKSA-N 2 2 262.357 1.109 20 30 CDEDLP C[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)Cn1cc[nH+]c1 ZINC001335940376 960112132 /nfs/dbraw/zinc/11/21/32/960112132.db2.gz CVSGXTCNVQOKQN-CHWSQXEVSA-N 2 2 264.373 1.410 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001401747453 975872957 /nfs/dbraw/zinc/87/29/57/975872957.db2.gz BVOXRBKZOKEHCS-STQMWFEESA-N 2 2 289.851 1.762 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001401747453 975872967 /nfs/dbraw/zinc/87/29/67/975872967.db2.gz BVOXRBKZOKEHCS-STQMWFEESA-N 2 2 289.851 1.762 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001399906448 976735848 /nfs/dbraw/zinc/73/58/48/976735848.db2.gz RLKQUXSBAJNXNN-OLZOCXBDSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001399906448 976735850 /nfs/dbraw/zinc/73/58/50/976735850.db2.gz RLKQUXSBAJNXNN-OLZOCXBDSA-N 2 2 287.835 1.660 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133194417 1163602923 /nfs/dbraw/zinc/60/29/23/1163602923.db2.gz FHOUFMBBUVTBDX-KBPBESRZSA-N 2 2 290.411 1.603 20 30 CDEDLP C#CCOc1cccc(Cl)c1C[N@H+](C)CCOCC[NH3+] ZINC001574736079 1170999164 /nfs/dbraw/zinc/99/91/64/1170999164.db2.gz UXBJUBVLNAYSTI-UHFFFAOYSA-N 2 2 296.798 1.759 20 30 CDEDLP C#CCOc1cccc(Cl)c1C[N@@H+](C)CCOCC[NH3+] ZINC001574736079 1170999170 /nfs/dbraw/zinc/99/91/70/1170999170.db2.gz UXBJUBVLNAYSTI-UHFFFAOYSA-N 2 2 296.798 1.759 20 30 CDEDLP COc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1C#N ZINC000591275632 342623951 /nfs/dbraw/zinc/62/39/51/342623951.db2.gz NFUXQSNGTUHSHS-AWEZNQCLSA-N 2 2 259.353 1.799 20 30 CDEDLP COCC[NH2+]CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591578184 342637727 /nfs/dbraw/zinc/63/77/27/342637727.db2.gz MWCGSQZZXZAPQI-INIZCTEOSA-N 2 2 273.380 1.761 20 30 CDEDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]CCC#N)CC1 ZINC000591726077 342642827 /nfs/dbraw/zinc/64/28/27/342642827.db2.gz IMQKHCJMBWTJHK-UHFFFAOYSA-N 2 2 286.423 1.827 20 30 CDEDLP CCN1CC[NH+](Cc2ccccc2C[NH2+]CCC#N)CC1 ZINC000591726077 342642828 /nfs/dbraw/zinc/64/28/28/342642828.db2.gz IMQKHCJMBWTJHK-UHFFFAOYSA-N 2 2 286.423 1.827 20 30 CDEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759836 342644281 /nfs/dbraw/zinc/64/42/81/342644281.db2.gz ZHLQWOZUQWFPRM-HNNXBMFYSA-N 2 2 275.396 1.619 20 30 CDEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759836 342644282 /nfs/dbraw/zinc/64/42/82/342644282.db2.gz ZHLQWOZUQWFPRM-HNNXBMFYSA-N 2 2 275.396 1.619 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000592957218 342750026 /nfs/dbraw/zinc/75/00/26/342750026.db2.gz LTNNCNZSWXAJDT-HNNXBMFYSA-N 2 2 286.379 1.140 20 30 CDEDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000593971249 342858684 /nfs/dbraw/zinc/85/86/84/342858684.db2.gz GLIZUKIHGKCNOQ-IUODEOHRSA-N 2 2 261.369 1.521 20 30 CDEDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000593971249 342858686 /nfs/dbraw/zinc/85/86/86/342858686.db2.gz GLIZUKIHGKCNOQ-IUODEOHRSA-N 2 2 261.369 1.521 20 30 CDEDLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCSC1 ZINC000442765958 362087807 /nfs/dbraw/zinc/08/78/07/362087807.db2.gz KHHZALSZDQJTTE-XQQFMLRXSA-N 2 2 253.415 1.706 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598600582 343850750 /nfs/dbraw/zinc/85/07/50/343850750.db2.gz UQNRKAWYGPDMPZ-OLZOCXBDSA-N 2 2 276.384 1.510 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598600582 343850752 /nfs/dbraw/zinc/85/07/52/343850752.db2.gz UQNRKAWYGPDMPZ-OLZOCXBDSA-N 2 2 276.384 1.510 20 30 CDEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598722965 343884886 /nfs/dbraw/zinc/88/48/86/343884886.db2.gz FEGCTNDJAZAUTL-CQSZACIVSA-N 2 2 261.369 1.823 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)no2)CC1 ZINC000602537651 344471440 /nfs/dbraw/zinc/47/14/40/344471440.db2.gz BBQSNYDHJJVIIS-UHFFFAOYSA-N 2 2 293.367 1.591 20 30 CDEDLP C[C@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000602871472 344641748 /nfs/dbraw/zinc/64/17/48/344641748.db2.gz RXIBRBPAXXYCGS-HIFRSBDPSA-N 2 2 288.395 1.297 20 30 CDEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392781 346776059 /nfs/dbraw/zinc/77/60/59/346776059.db2.gz LSIHQSPDIOEZIT-WMZOPIPTSA-N 2 2 298.434 1.771 20 30 CDEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392781 346776061 /nfs/dbraw/zinc/77/60/61/346776061.db2.gz LSIHQSPDIOEZIT-WMZOPIPTSA-N 2 2 298.434 1.771 20 30 CDEDLP C#CCC[NH+]1CCC(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493848832 347595618 /nfs/dbraw/zinc/59/56/18/347595618.db2.gz GPLWQQYOMUKFAK-SNAWJCMRSA-N 2 2 272.352 1.027 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602464108 350111578 /nfs/dbraw/zinc/11/15/78/350111578.db2.gz JSADZVIPFQMIJN-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602464108 350111581 /nfs/dbraw/zinc/11/15/81/350111581.db2.gz JSADZVIPFQMIJN-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000264112649 362970485 /nfs/dbraw/zinc/97/04/85/362970485.db2.gz RNAIYAWILMRONA-LBPRGKRZSA-N 2 2 287.367 1.312 20 30 CDEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000264140226 362976437 /nfs/dbraw/zinc/97/64/37/362976437.db2.gz WJFXCURAFNQTNI-CYBMUJFWSA-N 2 2 262.401 1.992 20 30 CDEDLP CCNC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264144660 362978285 /nfs/dbraw/zinc/97/82/85/362978285.db2.gz XLTBWUPRYHEGTI-LBPRGKRZSA-N 2 2 294.399 1.231 20 30 CDEDLP C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271898329 191396768 /nfs/dbraw/zinc/39/67/68/191396768.db2.gz UUGUFMWIVUTKPN-ZDUSSCGKSA-N 2 2 273.380 1.493 20 30 CDEDLP COCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000341494986 357765704 /nfs/dbraw/zinc/76/57/04/357765704.db2.gz XECNZWIDIBBLNE-INIZCTEOSA-N 2 2 273.380 1.411 20 30 CDEDLP COCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000341494986 357765708 /nfs/dbraw/zinc/76/57/08/357765708.db2.gz XECNZWIDIBBLNE-INIZCTEOSA-N 2 2 273.380 1.411 20 30 CDEDLP COc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000234936983 359020129 /nfs/dbraw/zinc/02/01/29/359020129.db2.gz ZDUHHIXUZCUEEE-LBPRGKRZSA-N 2 2 270.336 1.942 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000267175655 358994204 /nfs/dbraw/zinc/99/42/04/358994204.db2.gz JBWKZXCZSNHQDB-NSHDSACASA-N 2 2 265.382 1.166 20 30 CDEDLP N#CCSCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000080632026 361359870 /nfs/dbraw/zinc/35/98/70/361359870.db2.gz YNKPDKFEUPGCCX-CQSZACIVSA-N 2 2 283.441 1.287 20 30 CDEDLP N#CCSCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000080632026 361359876 /nfs/dbraw/zinc/35/98/76/361359876.db2.gz YNKPDKFEUPGCCX-CQSZACIVSA-N 2 2 283.441 1.287 20 30 CDEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@@H](O)C[N@@H+](C)CC ZINC000562478908 361500466 /nfs/dbraw/zinc/50/04/66/361500466.db2.gz QFAMSURGEWZZBX-KRWDZBQOSA-N 2 2 287.407 1.859 20 30 CDEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@@H](O)C[N@H+](C)CC ZINC000562478908 361500470 /nfs/dbraw/zinc/50/04/70/361500470.db2.gz QFAMSURGEWZZBX-KRWDZBQOSA-N 2 2 287.407 1.859 20 30 CDEDLP C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[NH+](C)CC ZINC000562478908 361500476 /nfs/dbraw/zinc/50/04/76/361500476.db2.gz QFAMSURGEWZZBX-KRWDZBQOSA-N 2 2 287.407 1.859 20 30 CDEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[NH+](C)CC ZINC000562478908 361500481 /nfs/dbraw/zinc/50/04/81/361500481.db2.gz QFAMSURGEWZZBX-KRWDZBQOSA-N 2 2 287.407 1.859 20 30 CDEDLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329410038 361502623 /nfs/dbraw/zinc/50/26/23/361502623.db2.gz XYBZUMFERTUXIZ-NSHDSACASA-N 2 2 277.372 1.003 20 30 CDEDLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329410038 361502627 /nfs/dbraw/zinc/50/26/27/361502627.db2.gz XYBZUMFERTUXIZ-NSHDSACASA-N 2 2 277.372 1.003 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2snnc2C)CC1 ZINC000638524831 370747981 /nfs/dbraw/zinc/74/79/81/370747981.db2.gz SSIHXMORBHLDBO-UHFFFAOYSA-N 2 2 252.387 1.587 20 30 CDEDLP N#CCC[C@@H](C#N)C[NH2+]CCCNc1cccc[nH+]1 ZINC000578064519 372249680 /nfs/dbraw/zinc/24/96/80/372249680.db2.gz IDAUHSMZTBNXCO-ZDUSSCGKSA-N 2 2 257.341 1.917 20 30 CDEDLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353655292 375750516 /nfs/dbraw/zinc/75/05/16/375750516.db2.gz FXIOXYMFIBJAIU-HZPDHXFCSA-N 2 2 271.364 1.202 20 30 CDEDLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353655292 375750522 /nfs/dbraw/zinc/75/05/22/375750522.db2.gz FXIOXYMFIBJAIU-HZPDHXFCSA-N 2 2 271.364 1.202 20 30 CDEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000076002602 377219010 /nfs/dbraw/zinc/21/90/10/377219010.db2.gz KWBMSADNUVVETH-LSDHHAIUSA-N 2 2 294.443 1.411 20 30 CDEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000076002602 377219017 /nfs/dbraw/zinc/21/90/17/377219017.db2.gz KWBMSADNUVVETH-LSDHHAIUSA-N 2 2 294.443 1.411 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248135245 377203145 /nfs/dbraw/zinc/20/31/45/377203145.db2.gz OYUIAXZFAMCBOE-GJZGRUSLSA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248135245 377203155 /nfs/dbraw/zinc/20/31/55/377203155.db2.gz OYUIAXZFAMCBOE-GJZGRUSLSA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248135245 377203163 /nfs/dbraw/zinc/20/31/63/377203163.db2.gz OYUIAXZFAMCBOE-GJZGRUSLSA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248135245 377203169 /nfs/dbraw/zinc/20/31/69/377203169.db2.gz OYUIAXZFAMCBOE-GJZGRUSLSA-N 2 2 292.427 1.165 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc([C@H](C)O)s2)CC1 ZINC000289291637 197285581 /nfs/dbraw/zinc/28/55/81/197285581.db2.gz PRYFACYZRNFJJG-NSHDSACASA-N 2 2 281.425 1.936 20 30 CDEDLP CC(C)(C#N)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000119651272 390547697 /nfs/dbraw/zinc/54/76/97/390547697.db2.gz KRZURKVUPPOFAC-HNNXBMFYSA-N 2 2 279.428 1.970 20 30 CDEDLP CC(C)(C#N)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000119651272 390547701 /nfs/dbraw/zinc/54/77/01/390547701.db2.gz KRZURKVUPPOFAC-HNNXBMFYSA-N 2 2 279.428 1.970 20 30 CDEDLP Cc1[nH+]ccn1CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329431955 390986409 /nfs/dbraw/zinc/98/64/09/390986409.db2.gz HUMKAEZZPRGCKS-UHFFFAOYSA-N 2 2 292.383 1.403 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332020294 391298703 /nfs/dbraw/zinc/29/87/03/391298703.db2.gz QRTCMEGAGIFLJO-ZBFHGGJFSA-N 2 2 294.443 1.457 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332020294 391298711 /nfs/dbraw/zinc/29/87/11/391298711.db2.gz QRTCMEGAGIFLJO-ZBFHGGJFSA-N 2 2 294.443 1.457 20 30 CDEDLP C[NH+]=C(NC1CCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261999479 391752510 /nfs/dbraw/zinc/75/25/10/391752510.db2.gz TZFZVEBMEQICGW-JSGCOSHPSA-N 2 2 275.400 1.894 20 30 CDEDLP C=CCCn1cc(C[NH2+]CCC[NH+]2CCCCC2)nn1 ZINC000657296936 414129011 /nfs/dbraw/zinc/12/90/11/414129011.db2.gz YDTFSCNUWMJNGR-UHFFFAOYSA-N 2 2 277.416 1.820 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)nn1 ZINC000657315885 414163259 /nfs/dbraw/zinc/16/32/59/414163259.db2.gz SIXDMTIVDAKHAC-ZDUSSCGKSA-N 2 2 263.389 1.286 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)nn1 ZINC000657315885 414163268 /nfs/dbraw/zinc/16/32/68/414163268.db2.gz SIXDMTIVDAKHAC-ZDUSSCGKSA-N 2 2 263.389 1.286 20 30 CDEDLP C=CCc1cc(C[NH2+][C@H]2CCC[NH2+]C2)cc(OC)c1O ZINC000414860685 263075215 /nfs/dbraw/zinc/07/52/15/263075215.db2.gz CYFHQSXJTPHNJM-AWEZNQCLSA-N 2 2 276.380 1.971 20 30 CDEDLP C=CCC[C@@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655773898 424548754 /nfs/dbraw/zinc/54/87/54/424548754.db2.gz KJFOZZRVLASVSM-GJZGRUSLSA-N 2 2 268.401 1.156 20 30 CDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480023 266295136 /nfs/dbraw/zinc/29/51/36/266295136.db2.gz PIFJPURWSUSCPT-LSDHHAIUSA-N 2 2 281.444 1.683 20 30 CDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480023 266295144 /nfs/dbraw/zinc/29/51/44/266295144.db2.gz PIFJPURWSUSCPT-LSDHHAIUSA-N 2 2 281.444 1.683 20 30 CDEDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000550840474 289996078 /nfs/dbraw/zinc/99/60/78/289996078.db2.gz OCAZPDRYIYJCNI-LLVKDONJSA-N 2 2 272.356 1.031 20 30 CDEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCn2cc[nH+]c2C1 ZINC000329419595 295381120 /nfs/dbraw/zinc/38/11/20/295381120.db2.gz GZZCWRPKKMZHEM-CHWSQXEVSA-N 2 2 289.383 1.240 20 30 CDEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCn2cc[nH+]c2C1 ZINC000329419595 295381123 /nfs/dbraw/zinc/38/11/23/295381123.db2.gz GZZCWRPKKMZHEM-CHWSQXEVSA-N 2 2 289.383 1.240 20 30 CDEDLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000563660593 328082489 /nfs/dbraw/zinc/08/24/89/328082489.db2.gz KQLZJUYFCBPINK-UHFFFAOYSA-N 2 2 279.384 1.297 20 30 CDEDLP C=CCN1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000177905029 329189898 /nfs/dbraw/zinc/18/98/98/329189898.db2.gz AESQNVSSADLGSG-ZFWWWQNUSA-N 2 2 251.418 1.709 20 30 CDEDLP C=CCN1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000177905029 329189899 /nfs/dbraw/zinc/18/98/99/329189899.db2.gz AESQNVSSADLGSG-ZFWWWQNUSA-N 2 2 251.418 1.709 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000177905029 329189896 /nfs/dbraw/zinc/18/98/96/329189896.db2.gz AESQNVSSADLGSG-ZFWWWQNUSA-N 3 2 251.418 1.709 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000177905029 329189897 /nfs/dbraw/zinc/18/98/97/329189897.db2.gz AESQNVSSADLGSG-ZFWWWQNUSA-N 3 2 251.418 1.709 20 30 CDEDLP C=CCCOCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000231798596 329379516 /nfs/dbraw/zinc/37/95/16/329379516.db2.gz DZCIFLZFOUHEKB-UHFFFAOYSA-N 2 2 252.362 1.168 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)nn1 ZINC000424385987 330349508 /nfs/dbraw/zinc/34/95/08/330349508.db2.gz XBMFRUDNSVHAMI-KBPBESRZSA-N 2 2 277.416 1.865 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)C(C)(C)C)CC1 ZINC000490839794 332119323 /nfs/dbraw/zinc/11/93/23/332119323.db2.gz KJJMVLIGGNHMFA-CQSZACIVSA-N 2 2 279.428 1.130 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)C(C)(C)C)CC1 ZINC000490839794 332119324 /nfs/dbraw/zinc/11/93/24/332119324.db2.gz KJJMVLIGGNHMFA-CQSZACIVSA-N 2 2 279.428 1.130 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000491264624 332176584 /nfs/dbraw/zinc/17/65/84/332176584.db2.gz HQGQBCGOYZUXKU-UHFFFAOYSA-N 2 2 298.390 1.567 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000491264624 332176585 /nfs/dbraw/zinc/17/65/85/332176585.db2.gz HQGQBCGOYZUXKU-UHFFFAOYSA-N 2 2 298.390 1.567 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@@H](C)CCC2(C)C)CC1 ZINC000491372789 332199331 /nfs/dbraw/zinc/19/93/31/332199331.db2.gz KYPIBAPUKUYAEZ-AWEZNQCLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@@H](C)CCC2(C)C)CC1 ZINC000491372789 332199332 /nfs/dbraw/zinc/19/93/32/332199332.db2.gz KYPIBAPUKUYAEZ-AWEZNQCLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#C[C@@H](C)[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491738192 332317991 /nfs/dbraw/zinc/31/79/91/332317991.db2.gz OTCVEEJCHBVQNJ-HUUCEWRRSA-N 2 2 285.391 1.968 20 30 CDEDLP C#C[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491738192 332317992 /nfs/dbraw/zinc/31/79/92/332317992.db2.gz OTCVEEJCHBVQNJ-HUUCEWRRSA-N 2 2 285.391 1.968 20 30 CDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H](C)C#N)c2cc1C ZINC000517732873 333106843 /nfs/dbraw/zinc/10/68/43/333106843.db2.gz QWOKFIBWPGAFRW-BXUZGUMPSA-N 2 2 286.379 1.763 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001755716053 1160489005 /nfs/dbraw/zinc/48/90/05/1160489005.db2.gz INNFTENYAGQFIK-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001755716053 1160489008 /nfs/dbraw/zinc/48/90/08/1160489008.db2.gz INNFTENYAGQFIK-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C#CC[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001755862287 1160633148 /nfs/dbraw/zinc/63/31/48/1160633148.db2.gz DHGURSQQJJZDHW-IYXRBSQSSA-N 2 2 274.368 1.046 20 30 CDEDLP C=C1CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000334925680 526908449 /nfs/dbraw/zinc/90/84/49/526908449.db2.gz DFGVMFSKUNCRPW-AWEZNQCLSA-N 2 2 265.401 1.191 20 30 CDEDLP C[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000328872382 538442489 /nfs/dbraw/zinc/44/24/89/538442489.db2.gz QODHIJQNEGFFJI-GFCCVEGCSA-N 2 2 288.351 1.360 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC000730275907 574907295 /nfs/dbraw/zinc/90/72/95/574907295.db2.gz BIGRSJWBMVXVDR-PMPSAXMXSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC000730275907 574907298 /nfs/dbraw/zinc/90/72/98/574907298.db2.gz BIGRSJWBMVXVDR-PMPSAXMXSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000730275907 574907299 /nfs/dbraw/zinc/90/72/99/574907299.db2.gz BIGRSJWBMVXVDR-PMPSAXMXSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000730275907 574907302 /nfs/dbraw/zinc/90/73/02/574907302.db2.gz BIGRSJWBMVXVDR-PMPSAXMXSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC(C)C)C1 ZINC000950533771 613194130 /nfs/dbraw/zinc/19/41/30/613194130.db2.gz LMIRNBIKKCMZCZ-INIZCTEOSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC(C)C)C1 ZINC000950533771 613194132 /nfs/dbraw/zinc/19/41/32/613194132.db2.gz LMIRNBIKKCMZCZ-INIZCTEOSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266082 613216202 /nfs/dbraw/zinc/21/62/02/613216202.db2.gz ZSFZFKPVFYYNGI-CJNGLKHVSA-N 2 2 296.374 1.408 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266082 613216203 /nfs/dbraw/zinc/21/62/03/613216203.db2.gz ZSFZFKPVFYYNGI-CJNGLKHVSA-N 2 2 296.374 1.408 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767054 613266229 /nfs/dbraw/zinc/26/62/29/613266229.db2.gz QHYHBBZPQPPRGB-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767054 613266232 /nfs/dbraw/zinc/26/62/32/613266232.db2.gz QHYHBBZPQPPRGB-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982035417 613309080 /nfs/dbraw/zinc/30/90/80/613309080.db2.gz IOFVAPVGHSSRFG-UHFFFAOYSA-N 2 2 262.357 1.063 20 30 CDEDLP C=C(C)C[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982035417 613309081 /nfs/dbraw/zinc/30/90/81/613309081.db2.gz IOFVAPVGHSSRFG-UHFFFAOYSA-N 2 2 262.357 1.063 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000948759956 613317850 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20 30 CDEDLP C=CCCCCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871937 932624713 /nfs/dbraw/zinc/62/47/13/932624713.db2.gz SSFLECYTTXJYOQ-UHFFFAOYSA-N 2 2 278.400 1.415 20 30 CDEDLP C=CCCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120619503 937818442 /nfs/dbraw/zinc/81/84/42/937818442.db2.gz UYOSIFCLHZWZKS-UHFFFAOYSA-N 2 2 268.405 1.065 20 30 CDEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016993428 935627974 /nfs/dbraw/zinc/62/79/74/935627974.db2.gz ALFVFVJTYKYXSR-CQSZACIVSA-N 2 2 288.395 1.430 20 30 CDEDLP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446967 936145988 /nfs/dbraw/zinc/14/59/88/936145988.db2.gz KWCJPMYAOHOUGC-KGLIPLIRSA-N 2 2 286.379 1.041 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446967 936145991 /nfs/dbraw/zinc/14/59/91/936145991.db2.gz KWCJPMYAOHOUGC-KGLIPLIRSA-N 2 2 286.379 1.041 20 30 CDEDLP N#Cc1cc(C#N)c(NC(=[NH2+])NCCCC[NH3+])nc1Cl ZINC001157095934 938453571 /nfs/dbraw/zinc/45/35/71/938453571.db2.gz 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ZINC001210051195 940659617 /nfs/dbraw/zinc/65/96/17/940659617.db2.gz IJTGEXQXEOIABK-KGLIPLIRSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051195 940659619 /nfs/dbraw/zinc/65/96/19/940659619.db2.gz IJTGEXQXEOIABK-KGLIPLIRSA-N 2 2 288.395 1.192 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216397306 940936462 /nfs/dbraw/zinc/93/64/62/940936462.db2.gz QECNXSRTJBLYIQ-CHWSQXEVSA-N 2 2 290.411 1.700 20 30 CDEDLP C[NH+]1CC2(C1)CC[NH+](CC(=O)c1cccc(C#N)c1)CC2 ZINC001277505128 942849257 /nfs/dbraw/zinc/84/92/57/942849257.db2.gz CFFCWEZPHCILDC-UHFFFAOYSA-N 2 2 283.375 1.769 20 30 CDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC001232845500 943418730 /nfs/dbraw/zinc/41/87/30/943418730.db2.gz FBHGHDDBAHYQLU-UHFFFAOYSA-N 2 2 278.425 1.299 20 30 CDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC001232845500 943418732 /nfs/dbraw/zinc/41/87/32/943418732.db2.gz FBHGHDDBAHYQLU-UHFFFAOYSA-N 2 2 278.425 1.299 20 30 CDEDLP N#Cc1ccc2c(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)c[nH]c2c1 ZINC001235990240 944354666 /nfs/dbraw/zinc/35/46/66/944354666.db2.gz MCEQROIFZQSIRX-CJNGLKHVSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1ccc2c(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)c[nH]c2c1 ZINC001235990240 944354674 /nfs/dbraw/zinc/35/46/74/944354674.db2.gz MCEQROIFZQSIRX-CJNGLKHVSA-N 2 2 266.348 1.963 20 30 CDEDLP C=C[C@](C)(O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001245982495 947876943 /nfs/dbraw/zinc/87/69/43/947876943.db2.gz DZGGMZLYFCVBPW-WFASDCNBSA-N 2 2 286.416 1.352 20 30 CDEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246099722 947952193 /nfs/dbraw/zinc/95/21/93/947952193.db2.gz RVHVUVXKLWDLAU-UGFHNGPFSA-N 2 2 261.344 1.779 20 30 CDEDLP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246533718 948236383 /nfs/dbraw/zinc/23/63/83/948236383.db2.gz NXSHQFPDERUQDK-AWEZNQCLSA-N 2 2 293.411 1.459 20 30 CDEDLP CCCC[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C#N)CC[NH2+]1 ZINC001246590996 948326728 /nfs/dbraw/zinc/32/67/28/948326728.db2.gz GBBNHOPQBDFYHO-MCIONIFRSA-N 2 2 250.390 1.095 20 30 CDEDLP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001256535685 948338618 /nfs/dbraw/zinc/33/86/18/948338618.db2.gz ADLZOTSQTXXJIM-NJAFHUGGSA-N 2 2 298.434 1.837 20 30 CDEDLP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256535685 948338633 /nfs/dbraw/zinc/33/86/33/948338633.db2.gz ADLZOTSQTXXJIM-NJAFHUGGSA-N 2 2 298.434 1.837 20 30 CDEDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cnn2ccc(C#N)cc12 ZINC001249119354 949392541 /nfs/dbraw/zinc/39/25/41/949392541.db2.gz TYGHFDJHJAFWER-UHFFFAOYSA-N 2 2 294.362 1.925 20 30 CDEDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cnn2ccc(C#N)cc12 ZINC001249119354 949392561 /nfs/dbraw/zinc/39/25/61/949392561.db2.gz TYGHFDJHJAFWER-UHFFFAOYSA-N 2 2 294.362 1.925 20 30 CDEDLP C=C[C@@H](O)C[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001253581474 951971142 /nfs/dbraw/zinc/97/11/42/951971142.db2.gz CMWDTDFZRFJLPE-LSDHHAIUSA-N 2 2 268.401 1.109 20 30 CDEDLP C=C[C@@H](O)C[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001253581474 951971145 /nfs/dbraw/zinc/97/11/45/951971145.db2.gz CMWDTDFZRFJLPE-LSDHHAIUSA-N 2 2 268.401 1.109 20 30 CDEDLP N#Cc1cccc(NC(=O)CC[NH2+]CCn2cc[nH+]c2)c1 ZINC001326618198 954457619 /nfs/dbraw/zinc/45/76/19/954457619.db2.gz WMGXCRKQXUDOPS-UHFFFAOYSA-N 2 2 283.335 1.373 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001366000836 956479437 /nfs/dbraw/zinc/47/94/37/956479437.db2.gz BTLJWPKBKHYZAW-RYUDHWBXSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001366000836 956479448 /nfs/dbraw/zinc/47/94/48/956479448.db2.gz BTLJWPKBKHYZAW-RYUDHWBXSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001419908874 962224081 /nfs/dbraw/zinc/22/40/81/962224081.db2.gz UNGUBEITJWOVTN-NSHDSACASA-N 2 2 284.791 1.200 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC001340173237 962790537 /nfs/dbraw/zinc/79/05/37/962790537.db2.gz PQEGMHZFGVKKNS-CYBMUJFWSA-N 2 2 276.384 1.683 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001403312582 976873913 /nfs/dbraw/zinc/87/39/13/976873913.db2.gz JHMVIVGAXSOWMN-LBPRGKRZSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001403336777 976891081 /nfs/dbraw/zinc/89/10/81/976891081.db2.gz UKEVFPWRRZSVKV-GFCCVEGCSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001403336777 976891089 /nfs/dbraw/zinc/89/10/89/976891089.db2.gz UKEVFPWRRZSVKV-GFCCVEGCSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133197081 1163603937 /nfs/dbraw/zinc/60/39/37/1163603937.db2.gz YISJSJGOMDHNFC-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH+](CCc1ccco1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351592611 361783829 /nfs/dbraw/zinc/78/38/29/361783829.db2.gz KUAVWLMRWJKDLG-OAHLLOKOSA-N 2 2 278.396 1.765 20 30 CDEDLP C=CC[N@@H+](CCc1ccco1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351592611 361783836 /nfs/dbraw/zinc/78/38/36/361783836.db2.gz KUAVWLMRWJKDLG-OAHLLOKOSA-N 2 2 278.396 1.765 20 30 CDEDLP C=CC[N@H+](CCc1ccco1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351592611 361783843 /nfs/dbraw/zinc/78/38/43/361783843.db2.gz KUAVWLMRWJKDLG-OAHLLOKOSA-N 2 2 278.396 1.765 20 30 CDEDLP Cc1cc(NC2CCC([NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000591827514 342647933 /nfs/dbraw/zinc/64/79/33/342647933.db2.gz SUMASASRHYKSOU-UHFFFAOYSA-N 2 2 258.369 1.968 20 30 CDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)CC2 ZINC000596654013 343371673 /nfs/dbraw/zinc/37/16/73/343371673.db2.gz NLWZOMTVTYIDDC-CQSZACIVSA-N 2 2 295.346 1.290 20 30 CDEDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000314208302 344910659 /nfs/dbraw/zinc/91/06/59/344910659.db2.gz UPFFFOZKMDCFFE-XJKSGUPXSA-N 2 2 291.395 1.148 20 30 CDEDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000314208302 344910663 /nfs/dbraw/zinc/91/06/63/344910663.db2.gz UPFFFOZKMDCFFE-XJKSGUPXSA-N 2 2 291.395 1.148 20 30 CDEDLP C=C(CC)C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000449733869 362769170 /nfs/dbraw/zinc/76/91/70/362769170.db2.gz KSSSHJGYINLMPG-UHFFFAOYSA-N 2 2 268.401 1.960 20 30 CDEDLP COCCNC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264065640 362956360 /nfs/dbraw/zinc/95/63/60/362956360.db2.gz BBSVBJDZRHDDLT-UHFFFAOYSA-N 2 2 275.356 1.046 20 30 CDEDLP C[C@H](CNC(=O)N1CCn2cc[nH+]c2C1)[N@H+](C)C1CC1 ZINC000329832206 538693109 /nfs/dbraw/zinc/69/31/09/538693109.db2.gz KIBGLZQKXDRBNT-LLVKDONJSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@H](CNC(=O)N1CCn2cc[nH+]c2C1)[N@@H+](C)C1CC1 ZINC000329832206 538693117 /nfs/dbraw/zinc/69/31/17/538693117.db2.gz KIBGLZQKXDRBNT-LLVKDONJSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@@H]1C[C@H](NC(=O)N(C)Cc2[nH+]ccn2C)C[N@@H+]1C1CC1 ZINC000329385528 361495503 /nfs/dbraw/zinc/49/55/03/361495503.db2.gz PIBXRGQVKIPEBL-NEPJUHHUSA-N 2 2 291.399 1.391 20 30 CDEDLP C[C@@H]1C[C@H](NC(=O)N(C)Cc2[nH+]ccn2C)C[N@H+]1C1CC1 ZINC000329385528 361495510 /nfs/dbraw/zinc/49/55/10/361495510.db2.gz PIBXRGQVKIPEBL-NEPJUHHUSA-N 2 2 291.399 1.391 20 30 CDEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000351494894 361714382 /nfs/dbraw/zinc/71/43/82/361714382.db2.gz SFODEOLHWDNCJJ-AWEZNQCLSA-N 2 2 280.416 1.165 20 30 CDEDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000573813150 371667967 /nfs/dbraw/zinc/66/79/67/371667967.db2.gz LKYWXZLJVBMNSP-CYBMUJFWSA-N 2 2 253.390 1.504 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(C(N)=O)CC3)CC2)cc1 ZINC000191481192 373497837 /nfs/dbraw/zinc/49/78/37/373497837.db2.gz BNANGXSJCQOKPN-UHFFFAOYSA-N 2 2 298.390 1.130 20 30 CDEDLP C=CC[C@@H](CO)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000341267782 373516162 /nfs/dbraw/zinc/51/61/62/373516162.db2.gz JUMPSVDIMXSJEQ-CYBMUJFWSA-N 2 2 259.353 1.917 20 30 CDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1(C#N)CC1 ZINC000343296556 377877051 /nfs/dbraw/zinc/87/70/51/377877051.db2.gz DPXHZBLQWXEVIX-HZSPNIEDSA-N 2 2 263.385 1.474 20 30 CDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1(C#N)CC1 ZINC000343296556 377877055 /nfs/dbraw/zinc/87/70/55/377877055.db2.gz DPXHZBLQWXEVIX-HZSPNIEDSA-N 2 2 263.385 1.474 20 30 CDEDLP C=CCC(C)(C)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521031018 262199454 /nfs/dbraw/zinc/19/94/54/262199454.db2.gz MNPHBKONCAMYCT-ZNMIVQPWSA-N 2 2 284.444 1.648 20 30 CDEDLP C=CCC(C)(C)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521031018 262199456 /nfs/dbraw/zinc/19/94/56/262199456.db2.gz MNPHBKONCAMYCT-ZNMIVQPWSA-N 2 2 284.444 1.648 20 30 CDEDLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NCC1CC1 ZINC000329904816 391797040 /nfs/dbraw/zinc/79/70/40/391797040.db2.gz JIIBVPQUDCIDBH-CQSZACIVSA-N 2 2 275.352 1.901 20 30 CDEDLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NCC1CC1 ZINC000329904816 391797043 /nfs/dbraw/zinc/79/70/43/391797043.db2.gz JIIBVPQUDCIDBH-CQSZACIVSA-N 2 2 275.352 1.901 20 30 CDEDLP N#Cc1csc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000548622822 392493223 /nfs/dbraw/zinc/49/32/23/392493223.db2.gz JQEIBASQXARYAQ-LLVKDONJSA-N 2 2 258.350 1.921 20 30 CDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H](C)CC(N)=O)C(C)C ZINC000268802821 132068738 /nfs/dbraw/zinc/06/87/38/132068738.db2.gz IBBHLIKMKKIQPQ-KBPBESRZSA-N 2 2 267.417 1.539 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000253190684 140330759 /nfs/dbraw/zinc/33/07/59/140330759.db2.gz LMMLZMKCKPHBHR-NWDGAFQWSA-N 2 2 277.393 1.573 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000253190684 140330760 /nfs/dbraw/zinc/33/07/60/140330760.db2.gz LMMLZMKCKPHBHR-NWDGAFQWSA-N 2 2 277.393 1.573 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000261701516 140377247 /nfs/dbraw/zinc/37/72/47/140377247.db2.gz IOHYKEKQPVGICM-CABCVRRESA-N 2 2 271.364 1.608 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000261701516 140377249 /nfs/dbraw/zinc/37/72/49/140377249.db2.gz IOHYKEKQPVGICM-CABCVRRESA-N 2 2 271.364 1.608 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652104 413333111 /nfs/dbraw/zinc/33/31/11/413333111.db2.gz GSIXJDGIHIQRRI-QGZVFWFLSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652104 413333119 /nfs/dbraw/zinc/33/31/19/413333119.db2.gz GSIXJDGIHIQRRI-QGZVFWFLSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660652104 413333129 /nfs/dbraw/zinc/33/31/29/413333129.db2.gz GSIXJDGIHIQRRI-QGZVFWFLSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660652104 413333135 /nfs/dbraw/zinc/33/31/35/413333135.db2.gz GSIXJDGIHIQRRI-QGZVFWFLSA-N 2 2 293.455 1.829 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001665597091 1173017925 /nfs/dbraw/zinc/01/79/25/1173017925.db2.gz JZWSXALTCHWYBH-CVEARBPZSA-N 2 2 285.391 1.113 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001665597091 1173017931 /nfs/dbraw/zinc/01/79/31/1173017931.db2.gz JZWSXALTCHWYBH-CVEARBPZSA-N 2 2 285.391 1.113 20 30 CDEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000415099546 263272341 /nfs/dbraw/zinc/27/23/41/263272341.db2.gz YQRTYLBZHHXIMQ-ZDUSSCGKSA-N 2 2 296.798 1.983 20 30 CDEDLP N#CCCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000342136617 263390829 /nfs/dbraw/zinc/39/08/29/263390829.db2.gz LYJLGLHWSMRUOG-UHFFFAOYSA-N 2 2 279.307 1.926 20 30 CDEDLP N#Cc1cccc(OCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000577133200 317272609 /nfs/dbraw/zinc/27/26/09/317272609.db2.gz ANZITNJTWFYSEI-UHFFFAOYSA-N 2 2 297.362 1.482 20 30 CDEDLP COc1cccc([C@H](CNC2=[NH+]CCN2C)[NH+](C)C)c1 ZINC000261728127 327069609 /nfs/dbraw/zinc/06/96/09/327069609.db2.gz KWSHWZUGPARUSG-AWEZNQCLSA-N 2 2 276.384 1.189 20 30 CDEDLP COc1cccc([C@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)c1 ZINC000261778406 327274053 /nfs/dbraw/zinc/27/40/53/327274053.db2.gz PFULLFQDAMFTPB-FZMZJTMJSA-N 2 2 276.384 1.235 20 30 CDEDLP C#CCCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378397398 329048884 /nfs/dbraw/zinc/04/88/84/329048884.db2.gz FMCINCWIJAUSAB-OAHLLOKOSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CCCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378397398 329048886 /nfs/dbraw/zinc/04/88/86/329048886.db2.gz FMCINCWIJAUSAB-OAHLLOKOSA-N 2 2 291.439 1.465 20 30 CDEDLP [NH2+]=C(NCCc1[nH]c2ccccc2[nH+]1)NCC1CCC1 ZINC000262233157 330002221 /nfs/dbraw/zinc/00/22/21/330002221.db2.gz HAAUIPDFPZQYQV-UHFFFAOYSA-N 2 2 271.368 1.810 20 30 CDEDLP [NH2+]=C(NCC[NH+]1CCSCC1)N1CCCCCC1 ZINC000262558646 330021442 /nfs/dbraw/zinc/02/14/42/330021442.db2.gz VSBSHOMELADILB-UHFFFAOYSA-N 2 2 270.446 1.226 20 30 CDEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491255725 332175600 /nfs/dbraw/zinc/17/56/00/332175600.db2.gz XWXWOHYLIDVHOJ-INIZCTEOSA-N 2 2 299.418 1.284 20 30 CDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491255725 332175601 /nfs/dbraw/zinc/17/56/01/332175601.db2.gz XWXWOHYLIDVHOJ-INIZCTEOSA-N 2 2 299.418 1.284 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000491708972 332300936 /nfs/dbraw/zinc/30/09/36/332300936.db2.gz OCRCQGUWEYKOBV-CYBMUJFWSA-N 2 2 260.385 1.435 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000491708972 332300937 /nfs/dbraw/zinc/30/09/37/332300937.db2.gz OCRCQGUWEYKOBV-CYBMUJFWSA-N 2 2 260.385 1.435 20 30 CDEDLP CCn1cc[nH+]c1/C=C/C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000492538544 332402135 /nfs/dbraw/zinc/40/21/35/332402135.db2.gz SPAWFMMJIBIELP-SNAWJCMRSA-N 2 2 287.367 1.020 20 30 CDEDLP C[C@H](CC#N)[NH+](C)CCOCC[N@@H+](C)[C@H](C)CC#N ZINC000247307702 334278713 /nfs/dbraw/zinc/27/87/13/334278713.db2.gz FQLOJBWAZDOOCJ-ZIAGYGMSSA-N 2 2 266.389 1.471 20 30 CDEDLP C[C@H](CC#N)[NH+](C)CCOCC[N@H+](C)[C@H](C)CC#N ZINC000247307702 334278715 /nfs/dbraw/zinc/27/87/15/334278715.db2.gz FQLOJBWAZDOOCJ-ZIAGYGMSSA-N 2 2 266.389 1.471 20 30 CDEDLP C=CCOCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000576050537 335146131 /nfs/dbraw/zinc/14/61/31/335146131.db2.gz JUHFAHPUPJKLHA-CQSZACIVSA-N 2 2 268.401 1.374 20 30 CDEDLP C=CCOCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000576050537 335146132 /nfs/dbraw/zinc/14/61/32/335146132.db2.gz JUHFAHPUPJKLHA-CQSZACIVSA-N 2 2 268.401 1.374 20 30 CDEDLP C=CCCn1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)nn1 ZINC000668172800 483105629 /nfs/dbraw/zinc/10/56/29/483105629.db2.gz UKMAHQDULNARTP-ZBFHGGJFSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)nn1 ZINC000668172800 483105634 /nfs/dbraw/zinc/10/56/34/483105634.db2.gz UKMAHQDULNARTP-ZBFHGGJFSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)nn1 ZINC000668172800 483105638 /nfs/dbraw/zinc/10/56/38/483105638.db2.gz UKMAHQDULNARTP-ZBFHGGJFSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)nn1 ZINC000668172800 483105640 /nfs/dbraw/zinc/10/56/40/483105640.db2.gz UKMAHQDULNARTP-ZBFHGGJFSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCC[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001752912212 1161138659 /nfs/dbraw/zinc/13/86/59/1161138659.db2.gz ADRNPSSFKOBEPY-LLVKDONJSA-N 2 2 264.373 1.321 20 30 CDEDLP C=CCC[N@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001755310686 1185908003 /nfs/dbraw/zinc/90/80/03/1185908003.db2.gz ZIRDVXJJBCUKBB-ZDUSSCGKSA-N 2 2 264.373 1.286 20 30 CDEDLP CC(=[NH+]NC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(N)cc1 ZINC000753935715 576866835 /nfs/dbraw/zinc/86/68/35/576866835.db2.gz PECWFOSFYMTYMK-KBPBESRZSA-N 2 2 271.368 1.853 20 30 CDEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981171414 612959062 /nfs/dbraw/zinc/95/90/62/612959062.db2.gz UFTXWNWXWVVTRJ-KGLIPLIRSA-N 2 2 296.374 1.827 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947757575 613271209 /nfs/dbraw/zinc/27/12/09/613271209.db2.gz CAKBEGBNGTWBJV-KGLIPLIRSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947757575 613271211 /nfs/dbraw/zinc/27/12/11/613271211.db2.gz CAKBEGBNGTWBJV-KGLIPLIRSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000964055195 613347267 /nfs/dbraw/zinc/34/72/67/613347267.db2.gz RNOVSIGWOLXZOI-UHFFFAOYSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981548188 613350646 /nfs/dbraw/zinc/35/06/46/613350646.db2.gz OXUVCSNOEGWQGF-UONOGXRCSA-N 2 2 276.384 1.476 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981353188 613350981 /nfs/dbraw/zinc/35/09/81/613350981.db2.gz HRDPUJHGFKOHDI-STQMWFEESA-N 2 2 276.384 1.545 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947849320 613744730 /nfs/dbraw/zinc/74/47/30/613744730.db2.gz RGWITRUKRNGDEO-VXGBXAGGSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947849320 613744731 /nfs/dbraw/zinc/74/47/31/613744731.db2.gz RGWITRUKRNGDEO-VXGBXAGGSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960560478 613841355 /nfs/dbraw/zinc/84/13/55/613841355.db2.gz QITMQDGGIDGDAO-JYAVWHMHSA-N 2 2 282.347 1.409 20 30 CDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960560478 613841356 /nfs/dbraw/zinc/84/13/56/613841356.db2.gz QITMQDGGIDGDAO-JYAVWHMHSA-N 2 2 282.347 1.409 20 30 CDEDLP CCCNC(=[NH2+])NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000104160318 617699399 /nfs/dbraw/zinc/69/93/99/617699399.db2.gz MXARRYCUSAGDCK-CQSZACIVSA-N 2 2 284.448 1.438 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577653 1160587181 /nfs/dbraw/zinc/58/71/81/1160587181.db2.gz HLDWZHCMFBLNJM-SYQHCUMBSA-N 2 2 299.846 1.658 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577653 1160587186 /nfs/dbraw/zinc/58/71/86/1160587186.db2.gz HLDWZHCMFBLNJM-SYQHCUMBSA-N 2 2 299.846 1.658 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001088577653 1160587192 /nfs/dbraw/zinc/58/71/92/1160587192.db2.gz HLDWZHCMFBLNJM-SYQHCUMBSA-N 2 2 299.846 1.658 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001088577653 1160587197 /nfs/dbraw/zinc/58/71/97/1160587197.db2.gz HLDWZHCMFBLNJM-SYQHCUMBSA-N 2 2 299.846 1.658 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001082604731 1161578043 /nfs/dbraw/zinc/57/80/43/1161578043.db2.gz ZUDAVEGDOMGPRW-VNHYZAJKSA-N 2 2 288.395 1.068 20 30 CDEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135136931 1164131314 /nfs/dbraw/zinc/13/13/14/1164131314.db2.gz LDHOYNXRYZDJQJ-ZIAGYGMSSA-N 2 2 276.384 1.169 20 30 CDEDLP N#Cc1cncc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC001580081691 1172346130 /nfs/dbraw/zinc/34/61/30/1172346130.db2.gz OMFIQRIYEYMROA-HNNXBMFYSA-N 2 2 258.369 1.950 20 30 CDEDLP C=CCC[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001753577815 1185257264 /nfs/dbraw/zinc/25/72/64/1185257264.db2.gz NXVHPYBACAYHSC-UHFFFAOYSA-N 2 2 290.411 1.678 20 30 CDEDLP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001753704799 1185308335 /nfs/dbraw/zinc/30/83/35/1185308335.db2.gz KUNWEYJIAPNITI-AWEZNQCLSA-N 2 2 292.427 1.755 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCC=C)C1 ZINC001754578562 1185672134 /nfs/dbraw/zinc/67/21/34/1185672134.db2.gz LQDNIKLWVQCISS-INIZCTEOSA-N 2 2 289.423 1.193 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCC=C)C1 ZINC001754578562 1185672136 /nfs/dbraw/zinc/67/21/36/1185672136.db2.gz LQDNIKLWVQCISS-INIZCTEOSA-N 2 2 289.423 1.193 20 30 CDEDLP C=CC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001755073148 1185807648 /nfs/dbraw/zinc/80/76/48/1185807648.db2.gz IEBYZRWYNCPCKL-UHFFFAOYSA-N 2 2 290.411 1.807 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001755163053 1185838132 /nfs/dbraw/zinc/83/81/32/1185838132.db2.gz CIXQBGVZVYUHBJ-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001755163053 1185838139 /nfs/dbraw/zinc/83/81/39/1185838139.db2.gz CIXQBGVZVYUHBJ-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755305452 1185906511 /nfs/dbraw/zinc/90/65/11/1185906511.db2.gz POXQIDPDLHOBAZ-NSHDSACASA-N 2 2 270.336 1.246 20 30 CDEDLP C#CC[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755305452 1185906519 /nfs/dbraw/zinc/90/65/19/1185906519.db2.gz POXQIDPDLHOBAZ-NSHDSACASA-N 2 2 270.336 1.246 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001755310686 1185908000 /nfs/dbraw/zinc/90/80/00/1185908000.db2.gz ZIRDVXJJBCUKBB-ZDUSSCGKSA-N 2 2 264.373 1.286 20 30 CDEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755564798 1185992599 /nfs/dbraw/zinc/99/25/99/1185992599.db2.gz XOMMCQVUXBGIBN-HNNXBMFYSA-N 2 2 296.374 1.408 20 30 CDEDLP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001755695805 1186040056 /nfs/dbraw/zinc/04/00/56/1186040056.db2.gz ZMTRPQWJRMDHQF-QWHCGFSZSA-N 2 2 262.357 1.038 20 30 CDEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001353245048 967818959 /nfs/dbraw/zinc/81/89/59/967818959.db2.gz BZYAFZGFUHIBEV-QWHCGFSZSA-N 2 2 253.390 1.361 20 30 CDEDLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001353245048 967818964 /nfs/dbraw/zinc/81/89/64/967818964.db2.gz BZYAFZGFUHIBEV-QWHCGFSZSA-N 2 2 253.390 1.361 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001074957267 790729296 /nfs/dbraw/zinc/72/92/96/790729296.db2.gz ZZZFRKITOAOIRE-DYEKYZERSA-N 2 2 276.384 1.353 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001074957267 790729318 /nfs/dbraw/zinc/72/93/18/790729318.db2.gz ZZZFRKITOAOIRE-DYEKYZERSA-N 2 2 276.384 1.353 20 30 CDEDLP C=CCC[NH+]1CCC(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001006340347 790856217 /nfs/dbraw/zinc/85/62/17/790856217.db2.gz PFTXKUSODAUGPL-UHFFFAOYSA-N 2 2 290.411 1.760 20 30 CDEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006061226 791055840 /nfs/dbraw/zinc/05/58/40/791055840.db2.gz SCQBKVQQIVKVIE-UHFFFAOYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001042718939 789973293 /nfs/dbraw/zinc/97/32/93/789973293.db2.gz XREFKQTUNOPJRL-CABCVRRESA-N 2 2 291.439 1.580 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001042718939 789973306 /nfs/dbraw/zinc/97/33/06/789973306.db2.gz XREFKQTUNOPJRL-CABCVRRESA-N 2 2 291.439 1.580 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000986209950 791529452 /nfs/dbraw/zinc/52/94/52/791529452.db2.gz FCVFJBUWUQFIGY-NWDGAFQWSA-N 2 2 296.802 1.674 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001044840199 791533546 /nfs/dbraw/zinc/53/35/46/791533546.db2.gz ILKCLQPBZLBHSG-AAEUAGOBSA-N 2 2 276.384 1.416 20 30 CDEDLP C#C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000809685840 791813411 /nfs/dbraw/zinc/81/34/11/791813411.db2.gz UTEOCPQOQAXBLI-GFCCVEGCSA-N 2 2 251.399 1.952 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571928 791790900 /nfs/dbraw/zinc/79/09/00/791790900.db2.gz YQSVHWNQEKNWTJ-IJLUTSLNSA-N 2 2 274.368 1.252 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC ZINC001049529351 791799394 /nfs/dbraw/zinc/79/93/94/791799394.db2.gz LMDGXGNOEIRAFL-OAGGEKHMSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC ZINC001049529351 791799404 /nfs/dbraw/zinc/79/94/04/791799404.db2.gz LMDGXGNOEIRAFL-OAGGEKHMSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC ZINC001049529351 791799409 /nfs/dbraw/zinc/79/94/09/791799409.db2.gz LMDGXGNOEIRAFL-OAGGEKHMSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC ZINC001049529351 791799414 /nfs/dbraw/zinc/79/94/14/791799414.db2.gz LMDGXGNOEIRAFL-OAGGEKHMSA-N 2 2 289.423 1.169 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028642469 791908655 /nfs/dbraw/zinc/90/86/55/791908655.db2.gz WDSDYASFZSWJPP-KGLIPLIRSA-N 2 2 288.395 1.070 20 30 CDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028642469 791908660 /nfs/dbraw/zinc/90/86/60/791908660.db2.gz WDSDYASFZSWJPP-KGLIPLIRSA-N 2 2 288.395 1.070 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038904052 792057779 /nfs/dbraw/zinc/05/77/79/792057779.db2.gz UFEGQGUXYUHBCT-JKSUJKDBSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038904052 792057793 /nfs/dbraw/zinc/05/77/93/792057793.db2.gz UFEGQGUXYUHBCT-JKSUJKDBSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038904052 792057809 /nfs/dbraw/zinc/05/78/09/792057809.db2.gz UFEGQGUXYUHBCT-JKSUJKDBSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038904052 792057817 /nfs/dbraw/zinc/05/78/17/792057817.db2.gz UFEGQGUXYUHBCT-JKSUJKDBSA-N 2 2 291.439 1.465 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015626307 792553498 /nfs/dbraw/zinc/55/34/98/792553498.db2.gz UPNNRWAFJDBXMP-ZDUSSCGKSA-N 2 2 277.368 1.331 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015626307 792553516 /nfs/dbraw/zinc/55/35/16/792553516.db2.gz UPNNRWAFJDBXMP-ZDUSSCGKSA-N 2 2 277.368 1.331 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994298048 792813122 /nfs/dbraw/zinc/81/31/22/792813122.db2.gz KKVVZSRLDZZNRL-ZIAGYGMSSA-N 2 2 290.411 1.806 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994298048 792813123 /nfs/dbraw/zinc/81/31/23/792813123.db2.gz KKVVZSRLDZZNRL-ZIAGYGMSSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996357292 793133981 /nfs/dbraw/zinc/13/39/81/793133981.db2.gz XCIRENQMEDXHFY-GFCCVEGCSA-N 2 2 296.802 1.531 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001027663534 793253570 /nfs/dbraw/zinc/25/35/70/793253570.db2.gz CPCRGZSQTHVFDH-ZDUSSCGKSA-N 2 2 276.384 1.369 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001027663534 793253586 /nfs/dbraw/zinc/25/35/86/793253586.db2.gz CPCRGZSQTHVFDH-ZDUSSCGKSA-N 2 2 276.384 1.369 20 30 CDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076302895 793262417 /nfs/dbraw/zinc/26/24/17/793262417.db2.gz BTIVMAWPAIYESP-SOUVJXGZSA-N 2 2 286.379 1.000 20 30 CDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076302895 793262426 /nfs/dbraw/zinc/26/24/26/793262426.db2.gz BTIVMAWPAIYESP-SOUVJXGZSA-N 2 2 286.379 1.000 20 30 CDEDLP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016903356 793365210 /nfs/dbraw/zinc/36/52/10/793365210.db2.gz ZMLRAONBPBWNFH-ZDUSSCGKSA-N 2 2 288.395 1.499 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036908800 793523517 /nfs/dbraw/zinc/52/35/17/793523517.db2.gz UDPGAGMRMIEHCG-GJZGRUSLSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036908800 793523537 /nfs/dbraw/zinc/52/35/37/793523537.db2.gz UDPGAGMRMIEHCG-GJZGRUSLSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000987071951 793779014 /nfs/dbraw/zinc/77/90/14/793779014.db2.gz YWONWIMSPGBBAA-ZYHUDNBSSA-N 2 2 282.775 1.284 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000328226190 793806222 /nfs/dbraw/zinc/80/62/22/793806222.db2.gz BNHBJIJXRRLQEG-UHFFFAOYSA-N 2 2 279.315 1.779 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000328226190 793806223 /nfs/dbraw/zinc/80/62/23/793806223.db2.gz BNHBJIJXRRLQEG-UHFFFAOYSA-N 2 2 279.315 1.779 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000987421706 793839932 /nfs/dbraw/zinc/83/99/32/793839932.db2.gz MYGHLRMHCRIGQU-CHWSQXEVSA-N 2 2 276.384 1.416 20 30 CDEDLP C=CC[NH+]1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030441941 793962578 /nfs/dbraw/zinc/96/25/78/793962578.db2.gz HRXCKCKRNIMGIA-CQSZACIVSA-N 2 2 265.401 1.236 20 30 CDEDLP C=CC[NH+]1CC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030441941 793962588 /nfs/dbraw/zinc/96/25/88/793962588.db2.gz HRXCKCKRNIMGIA-CQSZACIVSA-N 2 2 265.401 1.236 20 30 CDEDLP C=C(Br)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000306305579 794036037 /nfs/dbraw/zinc/03/60/37/794036037.db2.gz DRVZJCTWAAGFDC-MNOVXSKESA-N 2 2 259.191 1.779 20 30 CDEDLP C=C(Br)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000306305579 794036047 /nfs/dbraw/zinc/03/60/47/794036047.db2.gz DRVZJCTWAAGFDC-MNOVXSKESA-N 2 2 259.191 1.779 20 30 CDEDLP C=C(Br)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000306305579 794036055 /nfs/dbraw/zinc/03/60/55/794036055.db2.gz DRVZJCTWAAGFDC-MNOVXSKESA-N 2 2 259.191 1.779 20 30 CDEDLP C=C(Br)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000306305579 794036059 /nfs/dbraw/zinc/03/60/59/794036059.db2.gz DRVZJCTWAAGFDC-MNOVXSKESA-N 2 2 259.191 1.779 20 30 CDEDLP C[NH+]1CCN(N=C2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000848399811 794385206 /nfs/dbraw/zinc/38/52/06/794385206.db2.gz YOGVEVBRYQIZFH-AWEZNQCLSA-N 2 2 250.390 1.238 20 30 CDEDLP C[NH+]1CCN(N=C2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000848399811 794385221 /nfs/dbraw/zinc/38/52/21/794385221.db2.gz YOGVEVBRYQIZFH-AWEZNQCLSA-N 2 2 250.390 1.238 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970731 794617240 /nfs/dbraw/zinc/61/72/40/794617240.db2.gz WLHPXPNNZQNRTK-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970731 794617258 /nfs/dbraw/zinc/61/72/58/794617258.db2.gz WLHPXPNNZQNRTK-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476909 794814282 /nfs/dbraw/zinc/81/42/82/794814282.db2.gz WZTSVBKJUUYVOS-CABCVRRESA-N 2 2 288.395 1.525 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476909 794814287 /nfs/dbraw/zinc/81/42/87/794814287.db2.gz WZTSVBKJUUYVOS-CABCVRRESA-N 2 2 288.395 1.525 20 30 CDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033210386 795318855 /nfs/dbraw/zinc/31/88/55/795318855.db2.gz GDLDQKXSKPYHGS-KGLIPLIRSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033210386 795318865 /nfs/dbraw/zinc/31/88/65/795318865.db2.gz GDLDQKXSKPYHGS-KGLIPLIRSA-N 2 2 288.395 1.164 20 30 CDEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001054798648 795438370 /nfs/dbraw/zinc/43/83/70/795438370.db2.gz XQPGZSGVEAVICZ-IAQYHMDHSA-N 2 2 282.347 1.246 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001000426830 795790297 /nfs/dbraw/zinc/79/02/97/795790297.db2.gz LDRSLUWDQZKWGH-KBPBESRZSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001000426830 795790302 /nfs/dbraw/zinc/79/03/02/795790302.db2.gz LDRSLUWDQZKWGH-KBPBESRZSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031784767 795800155 /nfs/dbraw/zinc/80/01/55/795800155.db2.gz XMZPEDWBFSBZLO-CQSZACIVSA-N 2 2 288.395 1.070 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001017617221 795814891 /nfs/dbraw/zinc/81/48/91/795814891.db2.gz MXRHSZLKXPKYHB-OKILXGFUSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001017617221 795814894 /nfs/dbraw/zinc/81/48/94/795814894.db2.gz MXRHSZLKXPKYHB-OKILXGFUSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032804168 795857982 /nfs/dbraw/zinc/85/79/82/795857982.db2.gz ZTFSDDMRRQEGNR-JYJNAYRXSA-N 2 2 291.439 1.578 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032804168 795857990 /nfs/dbraw/zinc/85/79/90/795857990.db2.gz ZTFSDDMRRQEGNR-JYJNAYRXSA-N 2 2 291.439 1.578 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001043075183 795881815 /nfs/dbraw/zinc/88/18/15/795881815.db2.gz WXRZOLKSVHEAJJ-GOEBONIOSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001043075183 795881820 /nfs/dbraw/zinc/88/18/20/795881820.db2.gz WXRZOLKSVHEAJJ-GOEBONIOSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001006291668 795972873 /nfs/dbraw/zinc/97/28/73/795972873.db2.gz HMNMFOYBJRSMRL-UHFFFAOYSA-N 2 2 288.395 1.243 20 30 CDEDLP CCCCCCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843369842 796025465 /nfs/dbraw/zinc/02/54/65/796025465.db2.gz WPEMSZWUTCETEQ-HNNXBMFYSA-N 2 2 281.444 1.853 20 30 CDEDLP CCCCCCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843369842 796025473 /nfs/dbraw/zinc/02/54/73/796025473.db2.gz WPEMSZWUTCETEQ-HNNXBMFYSA-N 2 2 281.444 1.853 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039048656 796029961 /nfs/dbraw/zinc/02/99/61/796029961.db2.gz IUNXWFXFWMZJKU-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039048656 796029935 /nfs/dbraw/zinc/02/99/35/796029935.db2.gz IUNXWFXFWMZJKU-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039048656 796029943 /nfs/dbraw/zinc/02/99/43/796029943.db2.gz IUNXWFXFWMZJKU-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039048656 796029953 /nfs/dbraw/zinc/02/99/53/796029953.db2.gz IUNXWFXFWMZJKU-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001095067962 912305752 /nfs/dbraw/zinc/30/57/52/912305752.db2.gz RDKYELXCHFDRNT-ZNMIVQPWSA-N 2 2 288.395 1.428 20 30 CDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350900 914079462 /nfs/dbraw/zinc/07/94/62/914079462.db2.gz MULJUYUUIZWVTM-ZDUSSCGKSA-N 2 2 290.411 1.549 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176811124 914271228 /nfs/dbraw/zinc/27/12/28/914271228.db2.gz XOAZDVLWUZAVMC-OAHLLOKOSA-N 2 2 290.411 1.561 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089505412 914767100 /nfs/dbraw/zinc/76/71/00/914767100.db2.gz HHKYARAUDGMHCN-CYBMUJFWSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089505412 914767117 /nfs/dbraw/zinc/76/71/17/914767117.db2.gz HHKYARAUDGMHCN-CYBMUJFWSA-N 2 2 290.411 1.745 20 30 CDEDLP C[C@@]1([NH3+])CC[N@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001204783274 906394165 /nfs/dbraw/zinc/39/41/65/906394165.db2.gz QKMMMAHUINJUJP-OAHLLOKOSA-N 2 2 254.337 1.963 20 30 CDEDLP C[C@@]1([NH3+])CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001204783274 906394179 /nfs/dbraw/zinc/39/41/79/906394179.db2.gz QKMMMAHUINJUJP-OAHLLOKOSA-N 2 2 254.337 1.963 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(F)c1 ZINC001206173717 911847007 /nfs/dbraw/zinc/84/70/07/911847007.db2.gz JRZBHLBQKLBLHD-JSGCOSHPSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(F)c1 ZINC001206173717 911847017 /nfs/dbraw/zinc/84/70/17/911847017.db2.gz JRZBHLBQKLBLHD-JSGCOSHPSA-N 2 2 265.307 1.959 20 30 CDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179622957 915919563 /nfs/dbraw/zinc/91/95/63/915919563.db2.gz XNRGLGVCLUTQCI-KKUMJFAQSA-N 2 2 288.395 1.437 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185379116 919562430 /nfs/dbraw/zinc/56/24/30/919562430.db2.gz AFBZHONTJMEEKN-OLZOCXBDSA-N 2 2 276.384 1.212 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586201 919674443 /nfs/dbraw/zinc/67/44/43/919674443.db2.gz HHNFCPKKAZRSDX-OLZOCXBDSA-N 2 2 286.379 1.043 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078762209 920457181 /nfs/dbraw/zinc/45/71/81/920457181.db2.gz YAWBDORSSIEPMF-QWHCGFSZSA-N 2 2 288.395 1.545 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368640 920993220 /nfs/dbraw/zinc/99/32/20/920993220.db2.gz HQBURISMGHDOJR-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757021 922149407 /nfs/dbraw/zinc/14/94/07/922149407.db2.gz ZJNFHEZTEPDBIP-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757021 922149412 /nfs/dbraw/zinc/14/94/12/922149412.db2.gz ZJNFHEZTEPDBIP-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757021 922149418 /nfs/dbraw/zinc/14/94/18/922149418.db2.gz ZJNFHEZTEPDBIP-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757021 922149422 /nfs/dbraw/zinc/14/94/22/922149422.db2.gz ZJNFHEZTEPDBIP-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079889635 924448709 /nfs/dbraw/zinc/44/87/09/924448709.db2.gz JFJFJNLCILMNGZ-RGCMKSIDSA-N 2 2 288.395 1.526 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079889635 924448716 /nfs/dbraw/zinc/44/87/16/924448716.db2.gz JFJFJNLCILMNGZ-RGCMKSIDSA-N 2 2 288.395 1.526 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079889635 924448730 /nfs/dbraw/zinc/44/87/30/924448730.db2.gz JFJFJNLCILMNGZ-RGCMKSIDSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079890692 924448777 /nfs/dbraw/zinc/44/87/77/924448777.db2.gz FEGASLNVNQWKPB-RGCMKSIDSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079890692 924448782 /nfs/dbraw/zinc/44/87/82/924448782.db2.gz FEGASLNVNQWKPB-RGCMKSIDSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079890692 924448791 /nfs/dbraw/zinc/44/87/91/924448791.db2.gz FEGASLNVNQWKPB-RGCMKSIDSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079890692 924448799 /nfs/dbraw/zinc/44/87/99/924448799.db2.gz FEGASLNVNQWKPB-RGCMKSIDSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001101064199 936954993 /nfs/dbraw/zinc/95/49/93/936954993.db2.gz XDSMZFJLXMDAMO-UHFFFAOYSA-N 2 2 290.411 1.724 20 30 CDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521937 926891498 /nfs/dbraw/zinc/89/14/98/926891498.db2.gz OYPBIOQMDBAOOL-ZIAGYGMSSA-N 2 2 276.384 1.294 20 30 CDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521937 926891511 /nfs/dbraw/zinc/89/15/11/926891511.db2.gz OYPBIOQMDBAOOL-ZIAGYGMSSA-N 2 2 276.384 1.294 20 30 CDEDLP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136053766 930627413 /nfs/dbraw/zinc/62/74/13/930627413.db2.gz DLFQYLGBDHVZKR-ZIAGYGMSSA-N 2 2 290.411 1.249 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238169 932088105 /nfs/dbraw/zinc/08/81/05/932088105.db2.gz NGFUDWPRSNMNEW-ZDUSSCGKSA-N 2 2 278.400 1.413 20 30 CDEDLP C=CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248783 937788822 /nfs/dbraw/zinc/78/88/22/937788822.db2.gz UYJDPKACTHMTLG-UHFFFAOYSA-N 2 2 290.411 1.868 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160521661 938794791 /nfs/dbraw/zinc/79/47/91/938794791.db2.gz KTPIOKJRXIKJKU-AWEZNQCLSA-N 2 2 278.400 1.752 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161308873 938886309 /nfs/dbraw/zinc/88/63/09/938886309.db2.gz FXGBFRHQKHGYHW-CYBMUJFWSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CCC[N@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161559728 938913393 /nfs/dbraw/zinc/91/33/93/938913393.db2.gz KPNQFLAFRRRCCT-UHFFFAOYSA-N 2 2 288.395 1.667 20 30 CDEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161559728 938913394 /nfs/dbraw/zinc/91/33/94/938913394.db2.gz KPNQFLAFRRRCCT-UHFFFAOYSA-N 2 2 288.395 1.667 20 30 CDEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1ncnc(Cl)c1C#N ZINC001163122609 939205537 /nfs/dbraw/zinc/20/55/37/939205537.db2.gz NMPKVDQDJYYWDT-UHFFFAOYSA-N 2 2 295.778 1.280 20 30 CDEDLP C[NH+]1C[C@@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)C[C@H]2C1 ZINC001165147519 939518359 /nfs/dbraw/zinc/51/83/59/939518359.db2.gz FPTXIGTXFYZPNN-VXGBXAGGSA-N 2 2 267.336 1.432 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ncc([N+](=O)[O-])cc1C#N)CC[NH2+]CC2 ZINC001165354035 939550682 /nfs/dbraw/zinc/55/06/82/939550682.db2.gz ZPDFQHAXGMORQC-UHFFFAOYSA-N 2 2 298.306 1.044 20 30 CDEDLP Cc1[nH+]c(N2CC[C@@H]([NH3+])C(F)(F)C2)ccc1CC#N ZINC001166960324 939660714 /nfs/dbraw/zinc/66/07/14/939660714.db2.gz IRSIIZAHJYHKTO-LLVKDONJSA-N 2 2 266.295 1.629 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835978 940645187 /nfs/dbraw/zinc/64/51/87/940645187.db2.gz HDQUSUAYWPXNRT-GFCCVEGCSA-N 2 2 262.357 1.109 20 30 CDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210674398 940706234 /nfs/dbraw/zinc/70/62/34/940706234.db2.gz UZZQVVQNECKBFJ-ZDUSSCGKSA-N 2 2 288.395 1.291 20 30 CDEDLP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219112675 941309872 /nfs/dbraw/zinc/30/98/72/941309872.db2.gz QIAWRXRVSBUPBV-LBPRGKRZSA-N 2 2 287.298 1.237 20 30 CDEDLP N#Cc1cccc(CCCN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222491465 941601155 /nfs/dbraw/zinc/60/11/55/941601155.db2.gz CILLXDVHUXMKJH-ROUUACIJSA-N 2 2 298.434 1.517 20 30 CDEDLP C=CCC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001225284002 941838890 /nfs/dbraw/zinc/83/88/90/941838890.db2.gz CDHXVTQLPMXMKP-UHFFFAOYSA-N 2 2 290.411 1.665 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001229038664 942410654 /nfs/dbraw/zinc/41/06/54/942410654.db2.gz ZQWQZGGFVZUKIQ-BPLDGKMQSA-N 2 2 288.395 1.239 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001229038664 942410657 /nfs/dbraw/zinc/41/06/57/942410657.db2.gz ZQWQZGGFVZUKIQ-BPLDGKMQSA-N 2 2 288.395 1.239 20 30 CDEDLP C#Cc1cccc(C[NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)c1 ZINC001231657830 942963540 /nfs/dbraw/zinc/96/35/40/942963540.db2.gz VHCMIOHQBNIURW-ZWKOTPCHSA-N 2 2 284.403 1.820 20 30 CDEDLP C#Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)c1 ZINC001231657830 942963544 /nfs/dbraw/zinc/96/35/44/942963544.db2.gz VHCMIOHQBNIURW-ZWKOTPCHSA-N 2 2 284.403 1.820 20 30 CDEDLP C#Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)c1 ZINC001231657830 942963547 /nfs/dbraw/zinc/96/35/47/942963547.db2.gz VHCMIOHQBNIURW-ZWKOTPCHSA-N 2 2 284.403 1.820 20 30 CDEDLP C#Cc1cccc(C[N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)c1 ZINC001231657830 942963550 /nfs/dbraw/zinc/96/35/50/942963550.db2.gz VHCMIOHQBNIURW-ZWKOTPCHSA-N 2 2 284.403 1.820 20 30 CDEDLP Cc1cc(N)[nH+]cc1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001242071309 946585832 /nfs/dbraw/zinc/58/58/32/946585832.db2.gz ZULIFXWYWFCPPD-UHFFFAOYSA-N 2 2 279.347 1.942 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399413 947855043 /nfs/dbraw/zinc/85/50/43/947855043.db2.gz RLGSSJOQTPUFOJ-ZWKOTPCHSA-N 2 2 298.434 1.838 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399413 947855048 /nfs/dbraw/zinc/85/50/48/947855048.db2.gz RLGSSJOQTPUFOJ-ZWKOTPCHSA-N 2 2 298.434 1.838 20 30 CDEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001246029645 947910129 /nfs/dbraw/zinc/91/01/29/947910129.db2.gz RPCHHXPCKWVNPU-DLBZAZTESA-N 2 2 295.471 1.463 20 30 CDEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001246029645 947910136 /nfs/dbraw/zinc/91/01/36/947910136.db2.gz RPCHHXPCKWVNPU-DLBZAZTESA-N 2 2 295.471 1.463 20 30 CDEDLP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246708870 948411405 /nfs/dbraw/zinc/41/14/05/948411405.db2.gz HEYDOXDRJGVQEM-CQSZACIVSA-N 2 2 277.412 1.381 20 30 CDEDLP N#CC1CCC([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC1 ZINC001256960255 948465649 /nfs/dbraw/zinc/46/56/49/948465649.db2.gz ORSGGWVAPLPTBQ-NRXISQOPSA-N 2 2 277.412 1.912 20 30 CDEDLP N#CC1CCC([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC1 ZINC001256960255 948465653 /nfs/dbraw/zinc/46/56/53/948465653.db2.gz ORSGGWVAPLPTBQ-NRXISQOPSA-N 2 2 277.412 1.912 20 30 CDEDLP CC[C@H]1CC(N2CC[NH2+]C[C@@H]2C#N)C[C@H](CC)[NH2+]1 ZINC001246889017 948503270 /nfs/dbraw/zinc/50/32/70/948503270.db2.gz ZYYIUFVIAILDJY-OBJOEFQTSA-N 2 2 250.390 1.093 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001419070682 961339949 /nfs/dbraw/zinc/33/99/49/961339949.db2.gz QPWVNPLADWNMQW-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001419070682 961339966 /nfs/dbraw/zinc/33/99/66/961339966.db2.gz QPWVNPLADWNMQW-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001419070682 961339983 /nfs/dbraw/zinc/33/99/83/961339983.db2.gz QPWVNPLADWNMQW-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001419070682 961340002 /nfs/dbraw/zinc/34/00/02/961340002.db2.gz QPWVNPLADWNMQW-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001439480614 963770881 /nfs/dbraw/zinc/77/08/81/963770881.db2.gz YTPUGWZTNBDPNY-ZDUSSCGKSA-N 2 2 296.802 1.510 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001373823611 973656723 /nfs/dbraw/zinc/65/67/23/973656723.db2.gz YODFAEVQULIILB-LLVKDONJSA-N 2 2 284.791 1.498 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001375272424 974310285 /nfs/dbraw/zinc/31/02/85/974310285.db2.gz YIBLDNRWLGSDRO-NSHDSACASA-N 2 2 282.775 1.189 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001377552128 975072432 /nfs/dbraw/zinc/07/24/32/975072432.db2.gz FFHFITRZNPCAGW-GFCCVEGCSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001377552128 975072438 /nfs/dbraw/zinc/07/24/38/975072438.db2.gz FFHFITRZNPCAGW-GFCCVEGCSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001377552128 975072439 /nfs/dbraw/zinc/07/24/39/975072439.db2.gz FFHFITRZNPCAGW-GFCCVEGCSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001377552128 975072441 /nfs/dbraw/zinc/07/24/41/975072441.db2.gz FFHFITRZNPCAGW-GFCCVEGCSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001506629169 975193042 /nfs/dbraw/zinc/19/30/42/975193042.db2.gz XZZYJHBVPLGXBI-LBPRGKRZSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001506629169 975193045 /nfs/dbraw/zinc/19/30/45/975193045.db2.gz XZZYJHBVPLGXBI-LBPRGKRZSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001378618404 975417332 /nfs/dbraw/zinc/41/73/32/975417332.db2.gz ZQRUPYORFOTYJU-DGCLKSJQSA-N 2 2 298.818 1.929 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001401360349 975612560 /nfs/dbraw/zinc/61/25/60/975612560.db2.gz XRPQPTMOJWLODI-LBPRGKRZSA-N 2 2 273.808 1.223 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001401360349 975612568 /nfs/dbraw/zinc/61/25/68/975612568.db2.gz XRPQPTMOJWLODI-LBPRGKRZSA-N 2 2 273.808 1.223 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001401360349 975612573 /nfs/dbraw/zinc/61/25/73/975612573.db2.gz XRPQPTMOJWLODI-LBPRGKRZSA-N 2 2 273.808 1.223 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001401360349 975612577 /nfs/dbraw/zinc/61/25/77/975612577.db2.gz XRPQPTMOJWLODI-LBPRGKRZSA-N 2 2 273.808 1.223 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001401882739 975971807 /nfs/dbraw/zinc/97/18/07/975971807.db2.gz ZWVWJMSDROAGRP-ZDUSSCGKSA-N 2 2 296.802 1.200 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398547977 976032645 /nfs/dbraw/zinc/03/26/45/976032645.db2.gz OAPWQCPWPAOTLG-HAQNSBGRSA-N 2 2 296.802 1.342 20 30 CDEDLP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000590599065 342579752 /nfs/dbraw/zinc/57/97/52/342579752.db2.gz GEGDFKJNTIJIKT-UHFFFAOYSA-N 2 2 295.346 1.599 20 30 CDEDLP N#Cc1ccccc1NC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000590599065 342579753 /nfs/dbraw/zinc/57/97/53/342579753.db2.gz GEGDFKJNTIJIKT-UHFFFAOYSA-N 2 2 295.346 1.599 20 30 CDEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092804687 342419271 /nfs/dbraw/zinc/41/92/71/342419271.db2.gz MEHNEQVRWVVMPX-CYBMUJFWSA-N 2 2 289.383 1.351 20 30 CDEDLP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092804687 342419272 /nfs/dbraw/zinc/41/92/72/342419272.db2.gz MEHNEQVRWVVMPX-CYBMUJFWSA-N 2 2 289.383 1.351 20 30 CDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598715317 343880987 /nfs/dbraw/zinc/88/09/87/343880987.db2.gz OGPPYNDSJUEQNA-NEPJUHHUSA-N 2 2 250.346 1.162 20 30 CDEDLP C[C@H](CCC#N)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000618888047 345419334 /nfs/dbraw/zinc/41/93/34/345419334.db2.gz MUARKTBVUABGPW-KGLIPLIRSA-N 2 2 253.390 1.484 20 30 CDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000449386655 362679974 /nfs/dbraw/zinc/67/99/74/362679974.db2.gz JARFEXNEEONYAM-KFWWJZLASA-N 2 2 265.401 1.505 20 30 CDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000449386655 362679977 /nfs/dbraw/zinc/67/99/77/362679977.db2.gz JARFEXNEEONYAM-KFWWJZLASA-N 2 2 265.401 1.505 20 30 CDEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392780 346776004 /nfs/dbraw/zinc/77/60/04/346776004.db2.gz LSIHQSPDIOEZIT-SJLPKXTDSA-N 2 2 298.434 1.771 20 30 CDEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392780 346776006 /nfs/dbraw/zinc/77/60/06/346776006.db2.gz LSIHQSPDIOEZIT-SJLPKXTDSA-N 2 2 298.434 1.771 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@H](c1ccco1)[NH+](CC)CC ZINC000264106132 362968626 /nfs/dbraw/zinc/96/86/26/362968626.db2.gz PMMHZWQLOODFNL-GFCCVEGCSA-N 2 2 264.373 1.753 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000264714664 358190719 /nfs/dbraw/zinc/19/07/19/358190719.db2.gz NIYJJFASQBPEKV-UHFFFAOYSA-N 2 2 281.363 1.599 20 30 CDEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000120354063 358790692 /nfs/dbraw/zinc/79/06/92/358790692.db2.gz GJPDKJHUHYEYIQ-CQSZACIVSA-N 2 2 273.380 1.616 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000264349457 359308036 /nfs/dbraw/zinc/30/80/36/359308036.db2.gz AVPCGGKNAKAADT-CYBMUJFWSA-N 2 2 291.399 1.221 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000296806653 200003167 /nfs/dbraw/zinc/00/31/67/200003167.db2.gz IMUJMFSLNZUMJR-UHFFFAOYSA-N 2 2 299.378 1.089 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000296806653 200003168 /nfs/dbraw/zinc/00/31/68/200003168.db2.gz IMUJMFSLNZUMJR-UHFFFAOYSA-N 2 2 299.378 1.089 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1=O ZINC000337133695 360001112 /nfs/dbraw/zinc/00/11/12/360001112.db2.gz LEDFXWBFZPCDMF-MRXNPFEDSA-N 2 2 291.439 1.724 20 30 CDEDLP Cc1ccc(C#N)c(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000367430344 361411048 /nfs/dbraw/zinc/41/10/48/361411048.db2.gz OKRVZDWFYHOLPA-HNNXBMFYSA-N 2 2 299.422 1.842 20 30 CDEDLP Cc1ccc(C#N)c(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000367430344 361411056 /nfs/dbraw/zinc/41/10/56/361411056.db2.gz OKRVZDWFYHOLPA-HNNXBMFYSA-N 2 2 299.422 1.842 20 30 CDEDLP C[N@H+](Cc1cccc(C#N)c1F)C1CC[NH+](CCO)CC1 ZINC000340920975 364277189 /nfs/dbraw/zinc/27/71/89/364277189.db2.gz VJRREEPFBUXJAA-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP C[N@@H+](Cc1cccc(C#N)c1F)C1CC[NH+](CCO)CC1 ZINC000340920975 364277198 /nfs/dbraw/zinc/27/71/98/364277198.db2.gz VJRREEPFBUXJAA-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353380414 375321680 /nfs/dbraw/zinc/32/16/80/375321680.db2.gz BSOUSXXBJCMWTE-HIFRSBDPSA-N 2 2 259.353 1.058 20 30 CDEDLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353380415 375330654 /nfs/dbraw/zinc/33/06/54/375330654.db2.gz BSOUSXXBJCMWTE-UKRRQHHQSA-N 2 2 259.353 1.058 20 30 CDEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419725305 376154946 /nfs/dbraw/zinc/15/49/46/376154946.db2.gz IGWSARLAEOUQEO-GXTWGEPZSA-N 2 2 278.400 1.557 20 30 CDEDLP CC#CC[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420960399 376511901 /nfs/dbraw/zinc/51/19/01/376511901.db2.gz GVLXYUADAGZVAV-UHFFFAOYSA-N 2 2 272.392 1.974 20 30 CDEDLP CC#CC[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420960399 376511910 /nfs/dbraw/zinc/51/19/10/376511910.db2.gz GVLXYUADAGZVAV-UHFFFAOYSA-N 2 2 272.392 1.974 20 30 CDEDLP C[NH+]=C(NC[C@H](c1ccccc1)[NH+](C)C)NC1CC1 ZINC000103337726 390474960 /nfs/dbraw/zinc/47/49/60/390474960.db2.gz LDINJCNNJNANLH-CQSZACIVSA-N 2 2 260.385 1.617 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156450633 390922161 /nfs/dbraw/zinc/92/21/61/390922161.db2.gz FONIIWJDUHWFDN-RDBSUJKOSA-N 2 2 276.384 1.457 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CCO1 ZINC000338924670 391232789 /nfs/dbraw/zinc/23/27/89/391232789.db2.gz JCDKVCLUDAPPKC-IIAWOOMASA-N 2 2 277.412 1.864 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CCO1 ZINC000338924670 391232792 /nfs/dbraw/zinc/23/27/92/391232792.db2.gz JCDKVCLUDAPPKC-IIAWOOMASA-N 2 2 277.412 1.864 20 30 CDEDLP N#CCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000346339343 391349063 /nfs/dbraw/zinc/34/90/63/391349063.db2.gz SELHTBMAGKJQBB-UHFFFAOYSA-N 2 2 258.369 1.939 20 30 CDEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC#N)[C@@H](C)C1 ZINC000411554098 391479719 /nfs/dbraw/zinc/47/97/19/391479719.db2.gz SQHQGLGSNHBMEA-KBPBESRZSA-N 2 2 253.390 1.627 20 30 CDEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC#N)[C@@H](C)C1 ZINC000411554098 391479723 /nfs/dbraw/zinc/47/97/23/391479723.db2.gz SQHQGLGSNHBMEA-KBPBESRZSA-N 2 2 253.390 1.627 20 30 CDEDLP C=CC[N@@H+](C)CCN(CC)CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000411635820 391494089 /nfs/dbraw/zinc/49/40/89/391494089.db2.gz CGYUTUUKDIJXMC-IYBDPMFKSA-N 2 2 281.444 1.289 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000411635820 391494091 /nfs/dbraw/zinc/49/40/91/391494091.db2.gz CGYUTUUKDIJXMC-IYBDPMFKSA-N 2 2 281.444 1.289 20 30 CDEDLP C=CC[NH+](C)CCN(CC)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000411635820 391494092 /nfs/dbraw/zinc/49/40/92/391494092.db2.gz CGYUTUUKDIJXMC-IYBDPMFKSA-N 2 2 281.444 1.289 20 30 CDEDLP C=CC[NH+](C)CCN(CC)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000411635820 391494093 /nfs/dbraw/zinc/49/40/93/391494093.db2.gz CGYUTUUKDIJXMC-IYBDPMFKSA-N 2 2 281.444 1.289 20 30 CDEDLP CCN/C(=[NH+]/CC)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261966611 391743796 /nfs/dbraw/zinc/74/37/96/391743796.db2.gz LQAJBDWULYILQW-OLZOCXBDSA-N 2 2 263.389 1.751 20 30 CDEDLP Cc1[nH+]c2ccccc2n1CCNC1=[NH+]C[C@@H](C)N1 ZINC000262679909 391811241 /nfs/dbraw/zinc/81/12/41/391811241.db2.gz VOFBURXJACNDPA-SNVBAGLBSA-N 2 2 257.341 1.282 20 30 CDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H](C)CC(=O)NC)C(C)C ZINC000268847949 132076484 /nfs/dbraw/zinc/07/64/84/132076484.db2.gz VOVOVRGFASUJMD-GJZGRUSLSA-N 2 2 281.444 1.799 20 30 CDEDLP CC#CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285636754 196351690 /nfs/dbraw/zinc/35/16/90/196351690.db2.gz DBFRKDIULKXKIJ-LJQANCHMSA-N 2 2 297.446 1.902 20 30 CDEDLP CC#CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285636754 196351691 /nfs/dbraw/zinc/35/16/91/196351691.db2.gz DBFRKDIULKXKIJ-LJQANCHMSA-N 2 2 297.446 1.902 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCC)C2)nn1 ZINC000657326783 414175648 /nfs/dbraw/zinc/17/56/48/414175648.db2.gz XIYDPHGCAJWEQH-AWEZNQCLSA-N 2 2 277.416 1.676 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCC)C2)nn1 ZINC000657326783 414175655 /nfs/dbraw/zinc/17/56/55/414175655.db2.gz XIYDPHGCAJWEQH-AWEZNQCLSA-N 2 2 277.416 1.676 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)nn1 ZINC000657471920 414367831 /nfs/dbraw/zinc/36/78/31/414367831.db2.gz JULBVWHVDMYVGM-GFCCVEGCSA-N 2 2 251.378 1.142 20 30 CDEDLP CCNC(NCc1cccnc1-n1cc[nH+]c1)=[NH+]CC ZINC000195522636 262251607 /nfs/dbraw/zinc/25/16/07/262251607.db2.gz OHTBONFXHCKSEL-UHFFFAOYSA-N 2 2 272.356 1.342 20 30 CDEDLP COc1cccc([C@H](CNC(=[NH2+])N(C)C2CC2)[NH+](C)C)c1 ZINC000273325572 263015526 /nfs/dbraw/zinc/01/55/26/263015526.db2.gz HLRFJOKHMYTNMY-HNNXBMFYSA-N 2 2 290.411 1.707 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@H]2CCCO2)cc1 ZINC000276042798 263034884 /nfs/dbraw/zinc/03/48/84/263034884.db2.gz GUAXFTGIVDJNFX-OAHLLOKOSA-N 2 2 291.395 1.954 20 30 CDEDLP C=CCc1cc(C[NH2+][C@H](C)C[NH3+])cc(OC)c1O ZINC000414939480 263146877 /nfs/dbraw/zinc/14/68/77/263146877.db2.gz YSCVXBMDVSJQKY-SNVBAGLBSA-N 2 2 250.342 1.566 20 30 CDEDLP C=CC[N@@H+](CCOC)Cc1c[nH+]c(N(C)C)n1C ZINC000425344924 264016847 /nfs/dbraw/zinc/01/68/47/264016847.db2.gz UQUZAJIUNGONSN-UHFFFAOYSA-N 2 2 252.362 1.121 20 30 CDEDLP C=CC[N@H+](CCOC)Cc1c[nH+]c(N(C)C)n1C ZINC000425344924 264016849 /nfs/dbraw/zinc/01/68/49/264016849.db2.gz UQUZAJIUNGONSN-UHFFFAOYSA-N 2 2 252.362 1.121 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)nn1 ZINC000653589930 424305389 /nfs/dbraw/zinc/30/53/89/424305389.db2.gz FXNCGZMJSNWXMD-ZDUSSCGKSA-N 2 2 286.383 1.577 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)nn1 ZINC000653589930 424305400 /nfs/dbraw/zinc/30/54/00/424305400.db2.gz FXNCGZMJSNWXMD-ZDUSSCGKSA-N 2 2 286.383 1.577 20 30 CDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000252969232 279373439 /nfs/dbraw/zinc/37/34/39/279373439.db2.gz VXYWNWJKZWJCAQ-IOASZLSFSA-N 2 2 273.380 1.976 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000563422867 328064213 /nfs/dbraw/zinc/06/42/13/328064213.db2.gz HHXWQSSKRILGJF-ZFWWWQNUSA-N 3 2 251.418 1.886 20 30 CDEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000583084443 325103547 /nfs/dbraw/zinc/10/35/47/325103547.db2.gz XSGQVDMZPOSTEN-OAHLLOKOSA-N 2 2 298.394 1.517 20 30 CDEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000583084443 325103550 /nfs/dbraw/zinc/10/35/50/325103550.db2.gz XSGQVDMZPOSTEN-OAHLLOKOSA-N 2 2 298.394 1.517 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH+]1CCC(CC#N)CC1)C1CC1 ZINC000397221039 329344848 /nfs/dbraw/zinc/34/48/48/329344848.db2.gz JTCYRJQMZHVEOX-AWEZNQCLSA-N 2 2 251.374 1.067 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH+]1CCC(CC#N)CC1)C1CC1 ZINC000397221039 329344850 /nfs/dbraw/zinc/34/48/50/329344850.db2.gz JTCYRJQMZHVEOX-AWEZNQCLSA-N 2 2 251.374 1.067 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000177905006 329189961 /nfs/dbraw/zinc/18/99/61/329189961.db2.gz AESQNVSSADLGSG-DZGCQCFKSA-N 3 2 251.418 1.709 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000177905006 329189962 /nfs/dbraw/zinc/18/99/62/329189962.db2.gz AESQNVSSADLGSG-DZGCQCFKSA-N 3 2 251.418 1.709 20 30 CDEDLP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000177905006 329189963 /nfs/dbraw/zinc/18/99/63/329189963.db2.gz AESQNVSSADLGSG-DZGCQCFKSA-N 2 2 251.418 1.709 20 30 CDEDLP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000177905006 329189964 /nfs/dbraw/zinc/18/99/64/329189964.db2.gz AESQNVSSADLGSG-DZGCQCFKSA-N 2 2 251.418 1.709 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420371918 329762925 /nfs/dbraw/zinc/76/29/25/329762925.db2.gz PWJORRZZXINSBA-GZBFAFLISA-N 2 2 265.401 1.163 20 30 CDEDLP C[C@@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)C[NH+](C)C ZINC000520797785 329789317 /nfs/dbraw/zinc/78/93/17/329789317.db2.gz JUUWCYFZECNDDJ-OLZOCXBDSA-N 2 2 250.390 1.996 20 30 CDEDLP CCC[N@H+](CC#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000192742619 333238876 /nfs/dbraw/zinc/23/88/76/333238876.db2.gz HSHYXLGDNWQXDX-UHFFFAOYSA-N 2 2 266.433 1.638 20 30 CDEDLP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001753698349 1159887427 /nfs/dbraw/zinc/88/74/27/1159887427.db2.gz ASQAXMWANZAJMV-KBPBESRZSA-N 2 2 290.411 1.458 20 30 CDEDLP COCC#CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000685579638 482811702 /nfs/dbraw/zinc/81/17/02/482811702.db2.gz XPIWVPPWUYPDJC-UHFFFAOYSA-N 2 2 274.364 1.883 20 30 CDEDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000068801065 525506667 /nfs/dbraw/zinc/50/66/67/525506667.db2.gz YVRIFBZQRSAMTB-CJNGLKHVSA-N 2 2 272.396 1.455 20 30 CDEDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000068801065 525506672 /nfs/dbraw/zinc/50/66/72/525506672.db2.gz YVRIFBZQRSAMTB-CJNGLKHVSA-N 2 2 272.396 1.455 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000347811226 526451698 /nfs/dbraw/zinc/45/16/98/526451698.db2.gz WFNHHQVOCQIAJD-UHFFFAOYSA-N 2 2 291.395 1.552 20 30 CDEDLP C#CCC[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000726967316 574529751 /nfs/dbraw/zinc/52/97/51/574529751.db2.gz NUYAAJNGXYBHGW-UHFFFAOYSA-N 2 2 255.325 1.103 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000764338368 575900104 /nfs/dbraw/zinc/90/01/04/575900104.db2.gz QIADUJASDYSYIG-UHFFFAOYSA-N 2 2 270.336 1.929 20 30 CDEDLP C=CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000759583345 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285.819 1.366 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971204544 613368840 /nfs/dbraw/zinc/36/88/40/613368840.db2.gz MHEOQPFORJWZDC-OLZOCXBDSA-N 2 2 285.819 1.366 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000971204544 613368841 /nfs/dbraw/zinc/36/88/41/613368841.db2.gz MHEOQPFORJWZDC-OLZOCXBDSA-N 2 2 285.819 1.366 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000971204544 613368842 /nfs/dbraw/zinc/36/88/42/613368842.db2.gz MHEOQPFORJWZDC-OLZOCXBDSA-N 2 2 285.819 1.366 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981409386 613384220 /nfs/dbraw/zinc/38/42/20/613384220.db2.gz GAWYMFZEOJCUMZ-NEPJUHHUSA-N 2 2 296.802 1.722 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971822282 613615985 /nfs/dbraw/zinc/61/59/85/613615985.db2.gz UWUYZLFFYXLUSU-ZIAGYGMSSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971822282 613615986 /nfs/dbraw/zinc/61/59/86/613615986.db2.gz UWUYZLFFYXLUSU-ZIAGYGMSSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972306176 613630566 /nfs/dbraw/zinc/63/05/66/613630566.db2.gz DRVVRGJFRCPLCG-QWHCGFSZSA-N 2 2 288.395 1.548 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972306176 613630568 /nfs/dbraw/zinc/63/05/68/613630568.db2.gz DRVVRGJFRCPLCG-QWHCGFSZSA-N 2 2 288.395 1.548 20 30 CDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970407809 613661938 /nfs/dbraw/zinc/66/19/38/613661938.db2.gz PVLRVVSOCCFOPC-DGCLKSJQSA-N 2 2 288.395 1.452 20 30 CDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969995261 613669020 /nfs/dbraw/zinc/66/90/20/613669020.db2.gz CQLLNLGVZKAIEA-QWHCGFSZSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970445246 613669433 /nfs/dbraw/zinc/66/94/33/613669433.db2.gz PANWZAWZNKEOAJ-IACUBPJLSA-N 2 2 288.395 1.146 20 30 CDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000965950487 613858198 /nfs/dbraw/zinc/85/81/98/613858198.db2.gz IJMOZKKHOQIISM-UHFFFAOYSA-N 2 2 274.368 1.086 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000981485109 613861855 /nfs/dbraw/zinc/86/18/55/613861855.db2.gz GUSUXMPBJHDKOG-OLZOCXBDSA-N 2 2 276.384 1.464 20 30 CDEDLP C[NH+]1CCC([NH+]2CCC(Nc3ccnc(C#N)c3)CC2)CC1 ZINC000911813604 629506912 /nfs/dbraw/zinc/50/69/12/629506912.db2.gz ZDCGWLILZUCJLO-UHFFFAOYSA-N 2 2 299.422 1.346 20 30 CDEDLP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001752528872 1159819136 /nfs/dbraw/zinc/81/91/36/1159819136.db2.gz WUUFVLRVPDITCL-AWEZNQCLSA-N 2 2 290.411 1.319 20 30 CDEDLP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001752528872 1159819145 /nfs/dbraw/zinc/81/91/45/1159819145.db2.gz WUUFVLRVPDITCL-AWEZNQCLSA-N 2 2 290.411 1.319 20 30 CDEDLP C=CCC[NH2+][C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001752888158 1161406372 /nfs/dbraw/zinc/40/63/72/1161406372.db2.gz NRZVCYHOMXTILL-GFCCVEGCSA-N 2 2 272.352 1.618 20 30 CDEDLP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753114913 1185067597 /nfs/dbraw/zinc/06/75/97/1185067597.db2.gz ZHBSIMPYISITCY-GJZGRUSLSA-N 2 2 288.395 1.438 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753114913 1185067601 /nfs/dbraw/zinc/06/76/01/1185067601.db2.gz ZHBSIMPYISITCY-GJZGRUSLSA-N 2 2 288.395 1.438 20 30 CDEDLP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001754273057 1185543688 /nfs/dbraw/zinc/54/36/88/1185543688.db2.gz BSZSEOPMOSCBNZ-STQMWFEESA-N 2 2 276.384 1.116 20 30 CDEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001754453080 1185624511 /nfs/dbraw/zinc/62/45/11/1185624511.db2.gz QABASQMVXFRSDZ-CQSZACIVSA-N 2 2 276.384 1.403 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000989039336 797028725 /nfs/dbraw/zinc/02/87/25/797028725.db2.gz HIHSTYOLRSLXHD-AAEUAGOBSA-N 2 2 284.363 1.942 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033079002 797029726 /nfs/dbraw/zinc/02/97/26/797029726.db2.gz SMWQSPOIWJJYON-OAHLLOKOSA-N 2 2 298.390 1.975 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033079002 797029727 /nfs/dbraw/zinc/02/97/27/797029727.db2.gz SMWQSPOIWJJYON-OAHLLOKOSA-N 2 2 298.390 1.975 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001015002253 797045631 /nfs/dbraw/zinc/04/56/31/797045631.db2.gz ZORYUDYJOHDTDT-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001015002253 797045639 /nfs/dbraw/zinc/04/56/39/797045639.db2.gz ZORYUDYJOHDTDT-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000819011857 797811591 /nfs/dbraw/zinc/81/15/91/797811591.db2.gz YRMDWZGPIJDCTA-HNNXBMFYSA-N 2 2 289.379 1.134 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000819011857 797811594 /nfs/dbraw/zinc/81/15/94/797811594.db2.gz YRMDWZGPIJDCTA-HNNXBMFYSA-N 2 2 289.379 1.134 20 30 CDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001075948996 797863982 /nfs/dbraw/zinc/86/39/82/797863982.db2.gz UKJSQRWFJFTTMZ-BLLLJJGKSA-N 2 2 294.358 1.342 20 30 CDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001075948996 797863984 /nfs/dbraw/zinc/86/39/84/797863984.db2.gz UKJSQRWFJFTTMZ-BLLLJJGKSA-N 2 2 294.358 1.342 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992530028 913270954 /nfs/dbraw/zinc/27/09/54/913270954.db2.gz IZFKIASZCVHBEO-GDBMZVCRSA-N 2 2 288.395 1.572 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992530028 913270969 /nfs/dbraw/zinc/27/09/69/913270969.db2.gz IZFKIASZCVHBEO-GDBMZVCRSA-N 2 2 288.395 1.572 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001007617741 898866412 /nfs/dbraw/zinc/86/64/12/898866412.db2.gz INOSSWQGKVGAQK-AWEZNQCLSA-N 2 2 290.411 1.693 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001007617741 898866429 /nfs/dbraw/zinc/86/64/29/898866429.db2.gz INOSSWQGKVGAQK-AWEZNQCLSA-N 2 2 290.411 1.693 20 30 CDEDLP CC[NH+]=C(NCCOC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261949277 904533524 /nfs/dbraw/zinc/53/35/24/904533524.db2.gz GTOSLOUJVGWBCX-KBPBESRZSA-N 2 2 293.415 1.378 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001088414180 907129463 /nfs/dbraw/zinc/12/94/63/907129463.db2.gz ZBGUYEDUNYNKML-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000986209953 907453194 /nfs/dbraw/zinc/45/31/94/907453194.db2.gz FCVFJBUWUQFIGY-RYUDHWBXSA-N 2 2 296.802 1.674 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(F)c1 ZINC001206173716 911845933 /nfs/dbraw/zinc/84/59/33/911845933.db2.gz JRZBHLBQKLBLHD-GXTWGEPZSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(F)c1 ZINC001206173716 911845948 /nfs/dbraw/zinc/84/59/48/911845948.db2.gz JRZBHLBQKLBLHD-GXTWGEPZSA-N 2 2 265.307 1.959 20 30 CDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141919 915747476 /nfs/dbraw/zinc/74/74/76/915747476.db2.gz UJIABULSWLKJKU-KBPBESRZSA-N 2 2 296.374 1.550 20 30 CDEDLP CC#CC[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031772741 915797683 /nfs/dbraw/zinc/79/76/83/915797683.db2.gz JKLQHJUDMZHSBE-UHFFFAOYSA-N 2 2 282.347 1.248 20 30 CDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179688548 915925127 /nfs/dbraw/zinc/92/51/27/915925127.db2.gz BKJSRDDNJHXBMQ-IPYPFGDCSA-N 2 2 288.395 1.191 20 30 CDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179688548 915925137 /nfs/dbraw/zinc/92/51/37/915925137.db2.gz BKJSRDDNJHXBMQ-IPYPFGDCSA-N 2 2 288.395 1.191 20 30 CDEDLP C#CCC[NH2+]CCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001180159060 916188279 /nfs/dbraw/zinc/18/82/79/916188279.db2.gz WRAADCWUZNLLAU-UHFFFAOYSA-N 2 2 290.411 1.550 20 30 CDEDLP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001254647419 936432260 /nfs/dbraw/zinc/43/22/60/936432260.db2.gz CQJMRQALRRHURE-IHRRRGAJSA-N 2 2 263.385 1.522 20 30 CDEDLP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001254647419 936432263 /nfs/dbraw/zinc/43/22/63/936432263.db2.gz CQJMRQALRRHURE-IHRRRGAJSA-N 2 2 263.385 1.522 20 30 CDEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC000996365960 918250084 /nfs/dbraw/zinc/25/00/84/918250084.db2.gz YQLUGUUUNPLHQD-ZIAGYGMSSA-N 2 2 288.395 1.294 20 30 CDEDLP C=C(C[NH+]1CCCC1)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001183091652 918282841 /nfs/dbraw/zinc/28/28/41/918282841.db2.gz LSHAMGYWPUAMCT-UHFFFAOYSA-N 2 2 288.395 1.876 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001032445226 919139773 /nfs/dbraw/zinc/13/97/73/919139773.db2.gz ABNXUDAHFNCAHD-MELADBBJSA-N 2 2 286.379 1.232 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001032445226 919139786 /nfs/dbraw/zinc/13/97/86/919139786.db2.gz ABNXUDAHFNCAHD-MELADBBJSA-N 2 2 286.379 1.232 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492176 919145144 /nfs/dbraw/zinc/14/51/44/919145144.db2.gz KVELJCHNZCPMLB-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185370258 919580891 /nfs/dbraw/zinc/58/08/91/919580891.db2.gz HLOCPUBRGKINLZ-KBPBESRZSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]C1CC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000998986771 919651963 /nfs/dbraw/zinc/65/19/63/919651963.db2.gz JKBLBXCBIHNKCN-UHFFFAOYSA-N 2 2 290.411 1.692 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001032656844 919687292 /nfs/dbraw/zinc/68/72/92/919687292.db2.gz OKBQYKQXYJSMAF-RDBSUJKOSA-N 2 2 274.368 1.305 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001032656844 919687301 /nfs/dbraw/zinc/68/73/01/919687301.db2.gz OKBQYKQXYJSMAF-RDBSUJKOSA-N 2 2 274.368 1.305 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001036193094 923117087 /nfs/dbraw/zinc/11/70/87/923117087.db2.gz KLRAGGHJSOUUGI-TZMCWYRMSA-N 2 2 276.384 1.355 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725405 926325989 /nfs/dbraw/zinc/32/59/89/926325989.db2.gz VMVAERDRPMBLQT-INIZCTEOSA-N 2 2 296.374 1.504 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725405 926325997 /nfs/dbraw/zinc/32/59/97/926325997.db2.gz VMVAERDRPMBLQT-INIZCTEOSA-N 2 2 296.374 1.504 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001488873008 926746208 /nfs/dbraw/zinc/74/62/08/926746208.db2.gz PQVUZGGYXSPNOV-HAQNSBGRSA-N 2 2 296.802 1.200 20 30 CDEDLP N#Cc1cc2ccccc2nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066786 927684939 /nfs/dbraw/zinc/68/49/39/927684939.db2.gz JHOMTNLJSACXFN-CYBMUJFWSA-N 2 2 293.330 1.154 20 30 CDEDLP C=C[C@](C)(O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001252556044 929210360 /nfs/dbraw/zinc/21/03/60/929210360.db2.gz DDKNFSMTPZVERR-HIFRSBDPSA-N 2 2 262.353 1.780 20 30 CDEDLP C=C[C@](C)(O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001252556044 929210372 /nfs/dbraw/zinc/21/03/72/929210372.db2.gz DDKNFSMTPZVERR-HIFRSBDPSA-N 2 2 262.353 1.780 20 30 CDEDLP CCCCCCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134396846 929725316 /nfs/dbraw/zinc/72/53/16/929725316.db2.gz FUWDFNHRAOQLBI-UHFFFAOYSA-N 2 2 266.389 1.628 20 30 CDEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134745248 929880417 /nfs/dbraw/zinc/88/04/17/929880417.db2.gz TVYNZKYUSPCFOX-QWHCGFSZSA-N 2 2 290.411 1.433 20 30 CDEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031229 930611297 /nfs/dbraw/zinc/61/12/97/930611297.db2.gz HPUZETQEPOBALV-VXGBXAGGSA-N 2 2 276.384 1.157 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032247 930611513 /nfs/dbraw/zinc/61/15/13/930611513.db2.gz YAYDOUOJKUPZEE-NWDGAFQWSA-N 2 2 278.400 1.710 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153339392 937440763 /nfs/dbraw/zinc/44/07/63/937440763.db2.gz OWVYUPFQYZJBIO-UHFFFAOYSA-N 2 2 270.764 1.122 20 30 CDEDLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000886239570 930835248 /nfs/dbraw/zinc/83/52/48/930835248.db2.gz ZZXJKICKDQQKBM-AWEZNQCLSA-N 2 2 279.428 1.895 20 30 CDEDLP C#CC[NH2+]C1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001091030524 931733542 /nfs/dbraw/zinc/73/35/42/931733542.db2.gz HKSSCEGEUMQEMY-UHFFFAOYSA-N 2 2 296.374 1.374 20 30 CDEDLP C=CC[NH+]1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144621927 931929906 /nfs/dbraw/zinc/92/99/06/931929906.db2.gz CMTPZWRVHNKHGX-UHFFFAOYSA-N 2 2 256.353 1.638 20 30 CDEDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000925624016 932916648 /nfs/dbraw/zinc/91/66/48/932916648.db2.gz XNZGWMZYHJFGMA-AWEZNQCLSA-N 2 2 259.353 1.819 20 30 CDEDLP CC(C)C[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C(=O)NO ZINC001258012169 934306144 /nfs/dbraw/zinc/30/61/44/934306144.db2.gz UOXZMORGAGSBNH-AWEZNQCLSA-N 2 2 285.432 1.617 20 30 CDEDLP CCC(CC)[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCOCC1 ZINC000305810527 935218556 /nfs/dbraw/zinc/21/85/56/935218556.db2.gz IZEVCHHOJIACSU-OAHLLOKOSA-N 2 2 296.459 1.532 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014796313 935551168 /nfs/dbraw/zinc/55/11/68/935551168.db2.gz HNMMVJCBLDRFKL-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014796313 935551172 /nfs/dbraw/zinc/55/11/72/935551172.db2.gz HNMMVJCBLDRFKL-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001014796313 935551176 /nfs/dbraw/zinc/55/11/76/935551176.db2.gz HNMMVJCBLDRFKL-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001014796313 935551181 /nfs/dbraw/zinc/55/11/81/935551181.db2.gz HNMMVJCBLDRFKL-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001019056192 935692293 /nfs/dbraw/zinc/69/22/93/935692293.db2.gz NLXXMIFQNMXBKO-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001038446297 935744825 /nfs/dbraw/zinc/74/48/25/935744825.db2.gz ZEYFGZJHLSNNEO-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001038446297 935744827 /nfs/dbraw/zinc/74/48/27/935744827.db2.gz ZEYFGZJHLSNNEO-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001038446297 935744829 /nfs/dbraw/zinc/74/48/29/935744829.db2.gz ZEYFGZJHLSNNEO-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038446297 935744831 /nfs/dbraw/zinc/74/48/31/935744831.db2.gz ZEYFGZJHLSNNEO-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001044876705 935872451 /nfs/dbraw/zinc/87/24/51/935872451.db2.gz BSOOHNRQWOGETR-CHWSQXEVSA-N 2 2 262.357 1.038 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046189999 935932345 /nfs/dbraw/zinc/93/23/45/935932345.db2.gz PVAPOIBBMAXETM-JSGCOSHPSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046189999 935932347 /nfs/dbraw/zinc/93/23/47/935932347.db2.gz PVAPOIBBMAXETM-JSGCOSHPSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046189999 935932351 /nfs/dbraw/zinc/93/23/51/935932351.db2.gz PVAPOIBBMAXETM-JSGCOSHPSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046189999 935932353 /nfs/dbraw/zinc/93/23/53/935932353.db2.gz PVAPOIBBMAXETM-JSGCOSHPSA-N 2 2 285.819 1.414 20 30 CDEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046419950 935949842 /nfs/dbraw/zinc/94/98/42/935949842.db2.gz BHRPUYJNBRXASS-INIZCTEOSA-N 2 2 282.347 1.390 20 30 CDEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046419950 935949845 /nfs/dbraw/zinc/94/98/45/935949845.db2.gz BHRPUYJNBRXASS-INIZCTEOSA-N 2 2 282.347 1.390 20 30 CDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001097257390 936285382 /nfs/dbraw/zinc/28/53/82/936285382.db2.gz FQWYXZAKZDQPFI-PAURTPPISA-N 2 2 298.390 1.258 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001122040451 937901387 /nfs/dbraw/zinc/90/13/87/937901387.db2.gz ZYQNRCCNJJOHQH-UONOGXRCSA-N 2 2 288.395 1.460 20 30 CDEDLP Cc1ccc(C#N)c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001156175799 938329266 /nfs/dbraw/zinc/32/92/66/938329266.db2.gz FZMKYBMWQXHITQ-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP N#Cc1cc(F)cnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258616 938601618 /nfs/dbraw/zinc/60/16/18/938601618.db2.gz DPXLOYQYDGKIFZ-ZDUSSCGKSA-N 2 2 289.358 1.094 20 30 CDEDLP N#Cc1cc(F)cnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258616 938601619 /nfs/dbraw/zinc/60/16/19/938601619.db2.gz DPXLOYQYDGKIFZ-ZDUSSCGKSA-N 2 2 289.358 1.094 20 30 CDEDLP CC#CC[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165374497 939552920 /nfs/dbraw/zinc/55/29/20/939552920.db2.gz TXDLJAQZYGWMOJ-UHFFFAOYSA-N 2 2 288.395 1.242 20 30 CDEDLP CC#CC[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165374497 939552923 /nfs/dbraw/zinc/55/29/23/939552923.db2.gz TXDLJAQZYGWMOJ-UHFFFAOYSA-N 2 2 288.395 1.242 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1Cl ZINC001205688539 939920674 /nfs/dbraw/zinc/92/06/74/939920674.db2.gz JAPZBPRMIYKDFX-OAHLLOKOSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1Cl ZINC001205688539 939920677 /nfs/dbraw/zinc/92/06/77/939920677.db2.gz JAPZBPRMIYKDFX-OAHLLOKOSA-N 2 2 293.798 1.887 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207538372 940213148 /nfs/dbraw/zinc/21/31/48/940213148.db2.gz NEUJOXLMYTTYEH-DGCLKSJQSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207538372 940213152 /nfs/dbraw/zinc/21/31/52/940213152.db2.gz NEUJOXLMYTTYEH-DGCLKSJQSA-N 2 2 299.846 1.660 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531110 940827218 /nfs/dbraw/zinc/82/72/18/940827218.db2.gz OWCHHVDQNLYTDU-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000402356936 940894624 /nfs/dbraw/zinc/89/46/24/940894624.db2.gz UNJFQZHJXDMZOW-WQVCFCJDSA-N 2 2 273.380 1.651 20 30 CDEDLP C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000402356936 940894628 /nfs/dbraw/zinc/89/46/28/940894628.db2.gz UNJFQZHJXDMZOW-WQVCFCJDSA-N 2 2 273.380 1.651 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001316604705 942464783 /nfs/dbraw/zinc/46/47/83/942464783.db2.gz UJQJNAZCKNDWRN-UKRRQHHQSA-N 2 2 290.411 1.840 20 30 CDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001316604705 942464786 /nfs/dbraw/zinc/46/47/86/942464786.db2.gz UJQJNAZCKNDWRN-UKRRQHHQSA-N 2 2 290.411 1.840 20 30 CDEDLP N#CCC[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001277938549 944129814 /nfs/dbraw/zinc/12/98/14/944129814.db2.gz AAUOMZJWKYWLTB-UHFFFAOYSA-N 2 2 259.357 1.221 20 30 CDEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001245994428 947886499 /nfs/dbraw/zinc/88/64/99/947886499.db2.gz KLYAIRXIFAPEBT-SOUVJXGZSA-N 2 2 272.433 1.268 20 30 CDEDLP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(=O)NO ZINC001256073823 948196087 /nfs/dbraw/zinc/19/60/87/948196087.db2.gz FCLQAONBZIIPMO-GWCFXTLKSA-N 2 2 269.389 1.123 20 30 CDEDLP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246708317 948413534 /nfs/dbraw/zinc/41/35/34/948413534.db2.gz FBUMQVJLZACDEY-CABCVRRESA-N 2 2 291.439 1.770 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001253211484 951811330 /nfs/dbraw/zinc/81/13/30/951811330.db2.gz XHHILCVISWOZBL-INIZCTEOSA-N 2 2 287.407 1.840 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001368998983 959384419 /nfs/dbraw/zinc/38/44/19/959384419.db2.gz PMUUEBOLVOYNTR-NEPJUHHUSA-N 2 2 275.824 1.516 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001368998983 959384430 /nfs/dbraw/zinc/38/44/30/959384430.db2.gz PMUUEBOLVOYNTR-NEPJUHHUSA-N 2 2 275.824 1.516 20 30 CDEDLP C#CCC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001100716208 969004982 /nfs/dbraw/zinc/00/49/82/969004982.db2.gz BZOSNMANDDUZCN-NFOMZHRRSA-N 2 2 288.395 1.342 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001381628495 976959163 /nfs/dbraw/zinc/95/91/63/976959163.db2.gz OXFIYBLPWLGJEV-OLZOCXBDSA-N 2 2 289.851 1.762 20 30 CDEDLP C#CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132543240 1163353320 /nfs/dbraw/zinc/35/33/20/1163353320.db2.gz XAMSSRKRZVNZOB-LSDHHAIUSA-N 2 2 288.395 1.266 20 30 CDEDLP C#CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132543240 1163353327 /nfs/dbraw/zinc/35/33/27/1163353327.db2.gz XAMSSRKRZVNZOB-LSDHHAIUSA-N 2 2 288.395 1.266 20 30 CDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132874643 1163498940 /nfs/dbraw/zinc/49/89/40/1163498940.db2.gz KSWQJBRBWBUSAW-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132874643 1163498945 /nfs/dbraw/zinc/49/89/45/1163498945.db2.gz KSWQJBRBWBUSAW-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133354052 1163650870 /nfs/dbraw/zinc/65/08/70/1163650870.db2.gz MAASLBNUPFMEMW-LSDHHAIUSA-N 2 2 290.411 1.533 20 30 CDEDLP C[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)[C@@H]1C[NH3+] ZINC001576708318 1171496320 /nfs/dbraw/zinc/49/63/20/1171496320.db2.gz CHIQTANFBUKYEN-CZUORRHYSA-N 2 2 273.380 1.996 20 30 CDEDLP C[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)[C@@H]1C[NH3+] ZINC001576708318 1171496323 /nfs/dbraw/zinc/49/63/23/1171496323.db2.gz CHIQTANFBUKYEN-CZUORRHYSA-N 2 2 273.380 1.996 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000591570941 342637161 /nfs/dbraw/zinc/63/71/61/342637161.db2.gz CUTDANSMBAEGIF-XJKCOSOUSA-N 2 2 273.380 1.976 20 30 CDEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCC#N ZINC000591759543 342644295 /nfs/dbraw/zinc/64/42/95/342644295.db2.gz ZQPDTFNLXUXOHB-HNNXBMFYSA-N 2 2 261.369 1.373 20 30 CDEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCC#N ZINC000591759543 342644296 /nfs/dbraw/zinc/64/42/96/342644296.db2.gz ZQPDTFNLXUXOHB-HNNXBMFYSA-N 2 2 261.369 1.373 20 30 CDEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594614055 342928055 /nfs/dbraw/zinc/92/80/55/342928055.db2.gz YCPNDVNIJGJQTB-OCCSQVGLSA-N 2 2 251.374 1.379 20 30 CDEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595472105 343072945 /nfs/dbraw/zinc/07/29/45/343072945.db2.gz HYMMLMGUVIEABY-GJZGRUSLSA-N 2 2 265.401 1.865 20 30 CDEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595472105 343072947 /nfs/dbraw/zinc/07/29/47/343072947.db2.gz HYMMLMGUVIEABY-GJZGRUSLSA-N 2 2 265.401 1.865 20 30 CDEDLP C=CC[N@@H+](C[C@H](C)[NH3+])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000442650514 362076762 /nfs/dbraw/zinc/07/67/62/362076762.db2.gz PMRMTCJGARGUSQ-QWHCGFSZSA-N 2 2 286.383 1.559 20 30 CDEDLP C=CC[N@H+](C[C@H](C)[NH3+])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000442650514 362076769 /nfs/dbraw/zinc/07/67/69/362076769.db2.gz PMRMTCJGARGUSQ-QWHCGFSZSA-N 2 2 286.383 1.559 20 30 CDEDLP C=CCCSCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000596649157 343370852 /nfs/dbraw/zinc/37/08/52/343370852.db2.gz CAEKGQLMKZCRNT-KBPBESRZSA-N 2 2 270.442 1.652 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000597250263 343498532 /nfs/dbraw/zinc/49/85/32/343498532.db2.gz URKRMHDERUKCRQ-UHFFFAOYSA-N 2 2 287.392 1.675 20 30 CDEDLP C[NH+]1CCN(c2ccc(N[C@H]3CC[C@@H](C#N)C3)[nH+]c2)CC1 ZINC000333144126 529777538 /nfs/dbraw/zinc/77/75/38/529777538.db2.gz ZJQOXTYBMBLVIG-KGLIPLIRSA-N 2 2 285.395 1.938 20 30 CDEDLP COc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1C#N ZINC000598717529 343882136 /nfs/dbraw/zinc/88/21/36/343882136.db2.gz GQNIDRPAVLNHDV-GDBMZVCRSA-N 2 2 271.364 1.880 20 30 CDEDLP COc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1C#N ZINC000598717529 343882139 /nfs/dbraw/zinc/88/21/39/343882139.db2.gz GQNIDRPAVLNHDV-GDBMZVCRSA-N 2 2 271.364 1.880 20 30 CDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598721219 343883595 /nfs/dbraw/zinc/88/35/95/343883595.db2.gz TYODXHSTCWJURI-KBPBESRZSA-N 2 2 267.417 1.751 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598700643 343889233 /nfs/dbraw/zinc/88/92/33/343889233.db2.gz DWIWWYHBSBLVGA-GJZGRUSLSA-N 2 2 297.443 1.234 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598700643 343889234 /nfs/dbraw/zinc/88/92/34/343889234.db2.gz DWIWWYHBSBLVGA-GJZGRUSLSA-N 2 2 297.443 1.234 20 30 CDEDLP N#Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccn1 ZINC000610994375 346565812 /nfs/dbraw/zinc/56/58/12/346565812.db2.gz FOPKRAFJLKHRRJ-UHFFFAOYSA-N 2 2 267.336 1.987 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602464106 350111156 /nfs/dbraw/zinc/11/11/56/350111156.db2.gz JSADZVIPFQMIJN-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602464106 350111157 /nfs/dbraw/zinc/11/11/57/350111157.db2.gz JSADZVIPFQMIJN-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP CCc1cccc(NC(=[NH2+])NCC[N@H+](C)CCOC)c1 ZINC000264068283 362956666 /nfs/dbraw/zinc/95/66/66/362956666.db2.gz CCYAFJPMYNGNDH-UHFFFAOYSA-N 2 2 278.400 1.554 20 30 CDEDLP CCc1cccc(NC(=[NH2+])NCC[N@@H+](C)CCOC)c1 ZINC000264068283 362956673 /nfs/dbraw/zinc/95/66/73/362956673.db2.gz CCYAFJPMYNGNDH-UHFFFAOYSA-N 2 2 278.400 1.554 20 30 CDEDLP COc1ccc(NC(=[NH2+])NCCCn2cc[nH+]c2)cc1 ZINC000264118328 362972007 /nfs/dbraw/zinc/97/20/07/362972007.db2.gz QGURNZUVCQIRBD-UHFFFAOYSA-N 2 2 273.340 1.709 20 30 CDEDLP CCc1ccc([C@@H](CNC(NC)=[NH+]C)[NH+](C)C)cc1 ZINC000264135999 362975018 /nfs/dbraw/zinc/97/50/18/362975018.db2.gz VETQVXNMIIZTRV-CQSZACIVSA-N 2 2 262.401 1.647 20 30 CDEDLP CCN(CC)C(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000264162726 362984107 /nfs/dbraw/zinc/98/41/07/362984107.db2.gz BLDHFGOPHIOODD-UHFFFAOYSA-N 2 2 263.389 1.930 20 30 CDEDLP C#CC[N@@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000299147864 356977325 /nfs/dbraw/zinc/97/73/25/356977325.db2.gz CXHMVEZXTJRTRL-HNNXBMFYSA-N 2 2 285.391 1.969 20 30 CDEDLP C#CC[N@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000299147864 356977327 /nfs/dbraw/zinc/97/73/27/356977327.db2.gz CXHMVEZXTJRTRL-HNNXBMFYSA-N 2 2 285.391 1.969 20 30 CDEDLP Cn1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc1C#N ZINC000290639730 357241100 /nfs/dbraw/zinc/24/11/00/357241100.db2.gz YKTRDAJQKUWPDW-UHFFFAOYSA-N 2 2 257.341 1.615 20 30 CDEDLP Cn1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1C#N ZINC000290639730 357241103 /nfs/dbraw/zinc/24/11/03/357241103.db2.gz YKTRDAJQKUWPDW-UHFFFAOYSA-N 2 2 257.341 1.615 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000337195222 360019776 /nfs/dbraw/zinc/01/97/76/360019776.db2.gz ARQDGZCQVCHASB-CQSZACIVSA-N 2 2 265.401 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000337195222 360019780 /nfs/dbraw/zinc/01/97/80/360019780.db2.gz ARQDGZCQVCHASB-CQSZACIVSA-N 2 2 265.401 1.191 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000562300115 361236230 /nfs/dbraw/zinc/23/62/30/361236230.db2.gz FWXLBSNHJLUZQW-KBPBESRZSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000562300115 361236233 /nfs/dbraw/zinc/23/62/33/361236233.db2.gz FWXLBSNHJLUZQW-KBPBESRZSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000562300115 361236238 /nfs/dbraw/zinc/23/62/38/361236238.db2.gz FWXLBSNHJLUZQW-KBPBESRZSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000562300115 361236243 /nfs/dbraw/zinc/23/62/43/361236243.db2.gz FWXLBSNHJLUZQW-KBPBESRZSA-N 2 2 292.427 1.211 20 30 CDEDLP CC(C)[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCOCC1 ZINC000170910167 365160844 /nfs/dbraw/zinc/16/08/44/365160844.db2.gz HQKISIGIAWCBGC-CYBMUJFWSA-N 2 2 291.399 1.165 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000171690551 372203898 /nfs/dbraw/zinc/20/38/98/372203898.db2.gz NXTISJHYNPORBX-UHFFFAOYSA-N 2 2 291.399 1.223 20 30 CDEDLP COC[C@@]1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CCC[NH2+]1 ZINC000423412389 374381880 /nfs/dbraw/zinc/38/18/80/374381880.db2.gz HNQSUYOZYPTYIX-BBRMVZONSA-N 2 2 273.380 1.977 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(C#N)cc1F ZINC000423500894 374385126 /nfs/dbraw/zinc/38/51/26/374385126.db2.gz DFMALZMHVXCZSK-WCQYABFASA-N 2 2 276.359 1.252 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000632986843 378029815 /nfs/dbraw/zinc/02/98/15/378029815.db2.gz NAFMIISHZJCYIS-UHFFFAOYSA-N 2 2 291.399 1.592 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000282128891 378024008 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CCN(CCC#N)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152414704 390661016 /nfs/dbraw/zinc/66/10/16/390661016.db2.gz AKCIDSUILOMCHZ-CQSZACIVSA-N 2 2 280.416 1.022 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152414704 390661018 /nfs/dbraw/zinc/66/10/18/390661018.db2.gz AKCIDSUILOMCHZ-CQSZACIVSA-N 2 2 280.416 1.022 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152414704 390661020 /nfs/dbraw/zinc/66/10/20/390661020.db2.gz AKCIDSUILOMCHZ-CQSZACIVSA-N 2 2 280.416 1.022 20 30 CDEDLP C=CCC[C@@H](CO)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000320330704 391277190 /nfs/dbraw/zinc/27/71/90/391277190.db2.gz YMUVOUDMDWJENV-HNNXBMFYSA-N 2 2 275.396 1.967 20 30 CDEDLP C[NH+]=C(NC1CCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261999476 391753156 /nfs/dbraw/zinc/75/31/56/391753156.db2.gz TZFZVEBMEQICGW-GXTWGEPZSA-N 2 2 275.400 1.894 20 30 CDEDLP Cc1cccc(NCCNc2cc(C)[nH+]cc2C#N)[nH+]1 ZINC000425228030 392997739 /nfs/dbraw/zinc/99/77/39/392997739.db2.gz OVXSBOTUWYNTJQ-UHFFFAOYSA-N 2 2 267.336 1.911 20 30 CDEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(F)c1 ZINC000343712963 152274741 /nfs/dbraw/zinc/27/47/41/152274741.db2.gz LXTIEKHSNTZWHP-UHFFFAOYSA-N 2 2 291.370 1.634 20 30 CDEDLP C=CCc1cc(C[NH2+]CC[NH2+]CC)cc(OC)c1O ZINC000414830349 263056385 /nfs/dbraw/zinc/05/63/85/263056385.db2.gz NXUGHCPTAIIJPG-UHFFFAOYSA-N 2 2 264.369 1.828 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000340506853 263178867 /nfs/dbraw/zinc/17/88/67/263178867.db2.gz UMGJGFLGBRJUBT-JLSDUUJJSA-N 2 2 299.418 1.687 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000340506853 263178869 /nfs/dbraw/zinc/17/88/69/263178869.db2.gz UMGJGFLGBRJUBT-JLSDUUJJSA-N 2 2 299.418 1.687 20 30 CDEDLP C=C(C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370813 424332648 /nfs/dbraw/zinc/33/26/48/424332648.db2.gz PZYZCQVHADCRDB-CQSZACIVSA-N 2 2 294.443 1.420 20 30 CDEDLP C=C(C)CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370813 424332652 /nfs/dbraw/zinc/33/26/52/424332652.db2.gz PZYZCQVHADCRDB-CQSZACIVSA-N 2 2 294.443 1.420 20 30 CDEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000377263423 268061011 /nfs/dbraw/zinc/06/10/11/268061011.db2.gz XUEVPVADZXPRCY-GDBMZVCRSA-N 2 2 292.427 1.211 20 30 CDEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000377263423 268061014 /nfs/dbraw/zinc/06/10/14/268061014.db2.gz XUEVPVADZXPRCY-GDBMZVCRSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000170904316 327749191 /nfs/dbraw/zinc/74/91/91/327749191.db2.gz WXSYPESLAHORQG-AWEZNQCLSA-N 2 2 289.427 1.073 20 30 CDEDLP C[NH+](C)CC(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000175085589 329162752 /nfs/dbraw/zinc/16/27/52/329162752.db2.gz YYXVAPDZDNKYGK-UHFFFAOYSA-N 2 2 280.416 1.022 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CCC([NH2+]CC3CC3)CC2)C1=O ZINC000420291874 329760263 /nfs/dbraw/zinc/76/02/63/329760263.db2.gz OFJXDEAQNSSKTM-OAHLLOKOSA-N 2 2 277.412 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C=C(C)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000950491058 613316533 /nfs/dbraw/zinc/31/65/33/613316533.db2.gz IEXFYHHIYUXFKX-AWEZNQCLSA-N 2 2 265.401 1.191 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000950491058 613316534 /nfs/dbraw/zinc/31/65/34/613316534.db2.gz IEXFYHHIYUXFKX-AWEZNQCLSA-N 2 2 265.401 1.191 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957782435 613317429 /nfs/dbraw/zinc/31/74/29/613317429.db2.gz BIOSQPZKMZHROL-MRXNPFEDSA-N 2 2 293.455 1.827 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944443571 613335114 /nfs/dbraw/zinc/33/51/14/613335114.db2.gz HETDWQOHKXRMAS-OCCSQVGLSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944443571 613335115 /nfs/dbraw/zinc/33/51/15/613335115.db2.gz HETDWQOHKXRMAS-OCCSQVGLSA-N 2 2 290.411 1.663 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947979679 613598194 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C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046422558 813447045 /nfs/dbraw/zinc/44/70/45/813447045.db2.gz UQJQOBZBBFDVJB-MRXNPFEDSA-N 2 2 284.363 1.943 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036850683 813829207 /nfs/dbraw/zinc/82/92/07/813829207.db2.gz ALRSHHBSLYHQCN-CHWSQXEVSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036850683 813829208 /nfs/dbraw/zinc/82/92/08/813829208.db2.gz ALRSHHBSLYHQCN-CHWSQXEVSA-N 2 2 274.368 1.061 20 30 CDEDLP FC(F)(F)CC[NH+]1CCC(=[NH+]n2cnnc2)CC1 ZINC000779754309 814347521 /nfs/dbraw/zinc/34/75/21/814347521.db2.gz HENGNUSYFUWHLX-UHFFFAOYSA-N 2 2 261.251 1.530 20 30 CDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817917421 814636802 /nfs/dbraw/zinc/63/68/02/814636802.db2.gz GHVYCQBPCAZWBE-HIFRSBDPSA-N 2 2 289.379 1.446 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036786331 814765954 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C=CCC[N@@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034502471 817134975 /nfs/dbraw/zinc/13/49/75/817134975.db2.gz GKBCPNOPJGHTHP-CQSZACIVSA-N 2 2 290.411 1.807 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001020255167 817497402 /nfs/dbraw/zinc/49/74/02/817497402.db2.gz ASUFYHSUMXSHNS-FDYHWXHSSA-N 2 2 274.368 1.326 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001020255167 817497437 /nfs/dbraw/zinc/49/74/37/817497437.db2.gz ASUFYHSUMXSHNS-FDYHWXHSSA-N 2 2 274.368 1.326 20 30 CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001044647129 817646782 /nfs/dbraw/zinc/64/67/82/817646782.db2.gz IRJMTUYEZQQNMI-JSGCOSHPSA-N 2 2 296.374 1.779 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073019006 817807395 /nfs/dbraw/zinc/80/73/95/817807395.db2.gz QSUVCCXEHISNJU-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174589067 913225314 /nfs/dbraw/zinc/22/53/14/913225314.db2.gz VJOHXXHNKJDHBH-HNNXBMFYSA-N 2 2 290.411 1.561 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355471 895418284 /nfs/dbraw/zinc/41/82/84/895418284.db2.gz KIUPKVFEVDKAQU-GFCCVEGCSA-N 2 2 264.373 1.403 20 30 CDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176352134 914085643 /nfs/dbraw/zinc/08/56/43/914085643.db2.gz ZQQRSSVYEDFGDJ-GFCCVEGCSA-N 2 2 278.400 1.711 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106750350 914262801 /nfs/dbraw/zinc/26/28/01/914262801.db2.gz ZYSHNYFWYDQQNS-MGPQQGTHSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106750350 914262816 /nfs/dbraw/zinc/26/28/16/914262816.db2.gz ZYSHNYFWYDQQNS-MGPQQGTHSA-N 2 2 290.411 1.458 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183403518 918474653 /nfs/dbraw/zinc/47/46/53/918474653.db2.gz PCIAITOUSFZETQ-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001183403518 918474663 /nfs/dbraw/zinc/47/46/63/918474663.db2.gz PCIAITOUSFZETQ-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184272635 918965116 /nfs/dbraw/zinc/96/51/16/918965116.db2.gz GZYNTHMEEICLGH-KBPBESRZSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272809270 919442503 /nfs/dbraw/zinc/44/25/03/919442503.db2.gz YOHZARYEDQKPFF-MRXNPFEDSA-N 2 2 286.379 1.247 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272809270 919442510 /nfs/dbraw/zinc/44/25/10/919442510.db2.gz YOHZARYEDQKPFF-MRXNPFEDSA-N 2 2 286.379 1.247 20 30 CDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034502989 922652600 /nfs/dbraw/zinc/65/26/00/922652600.db2.gz LHHKGVHSWRXATF-CYBMUJFWSA-N 2 2 276.384 1.417 20 30 CDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034502989 922652613 /nfs/dbraw/zinc/65/26/13/922652613.db2.gz LHHKGVHSWRXATF-CYBMUJFWSA-N 2 2 276.384 1.417 20 30 CDEDLP C=CCCCCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967169 922664450 /nfs/dbraw/zinc/66/44/50/922664450.db2.gz DUMYWPZNQVLKOU-UHFFFAOYSA-N 2 2 278.400 1.795 20 30 CDEDLP C=CCCCCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967169 922664462 /nfs/dbraw/zinc/66/44/62/922664462.db2.gz DUMYWPZNQVLKOU-UHFFFAOYSA-N 2 2 278.400 1.795 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001036049733 923089993 /nfs/dbraw/zinc/08/99/93/923089993.db2.gz YJDKRRIZPBYMKG-OCCSQVGLSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001036049733 923090009 /nfs/dbraw/zinc/09/00/09/923090009.db2.gz YJDKRRIZPBYMKG-OCCSQVGLSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001036193092 923115681 /nfs/dbraw/zinc/11/56/81/923115681.db2.gz KLRAGGHJSOUUGI-OCCSQVGLSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194283481 924157946 /nfs/dbraw/zinc/15/79/46/924157946.db2.gz CAOJYTKUYKINRA-ZDUSSCGKSA-N 2 2 287.835 1.612 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194283481 924157953 /nfs/dbraw/zinc/15/79/53/924157953.db2.gz CAOJYTKUYKINRA-ZDUSSCGKSA-N 2 2 287.835 1.612 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194283481 924157972 /nfs/dbraw/zinc/15/79/72/924157972.db2.gz CAOJYTKUYKINRA-ZDUSSCGKSA-N 2 2 287.835 1.612 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001085438662 925962438 /nfs/dbraw/zinc/96/24/38/925962438.db2.gz ZAILBKAMFCPSGC-CHWSQXEVSA-N 2 2 262.357 1.086 20 30 CDEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135056084 930020641 /nfs/dbraw/zinc/02/06/41/930020641.db2.gz KEPWRLUWVMFAIL-KGLIPLIRSA-N 2 2 292.427 1.802 20 30 CDEDLP C=CCCC[NH+]1CCC2(C[NH+](COCCOC)C2)CC1 ZINC001274964154 931617968 /nfs/dbraw/zinc/61/79/68/931617968.db2.gz BBKLFGGIIZXMLS-UHFFFAOYSA-N 2 2 282.428 1.971 20 30 CDEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146759418 932307725 /nfs/dbraw/zinc/30/77/25/932307725.db2.gz VZVODSABEDCSMO-ZIAGYGMSSA-N 2 2 278.400 1.722 20 30 CDEDLP N#Cc1cccc(N2CC[NH+](C3CC[NH2+]CC3)CC2)c1 ZINC001246888410 932344351 /nfs/dbraw/zinc/34/43/51/932344351.db2.gz AVIRHABHVHPUQE-UHFFFAOYSA-N 2 2 270.380 1.432 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358880 932859304 /nfs/dbraw/zinc/85/93/04/932859304.db2.gz MMKOVEMOWBMESC-MGPQQGTHSA-N 2 2 288.395 1.411 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358880 932859308 /nfs/dbraw/zinc/85/93/08/932859308.db2.gz MMKOVEMOWBMESC-MGPQQGTHSA-N 2 2 288.395 1.411 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001044796830 935870370 /nfs/dbraw/zinc/87/03/70/935870370.db2.gz DBUWWFWLMJZHIB-OLZOCXBDSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001122116164 937906666 /nfs/dbraw/zinc/90/66/66/937906666.db2.gz ZJUAFJCDZDXUOS-LBPRGKRZSA-N 2 2 258.325 1.956 20 30 CDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156682888 938405515 /nfs/dbraw/zinc/40/55/15/938405515.db2.gz LZNHCENQFBBLPU-CQSZACIVSA-N 2 2 290.411 1.203 20 30 CDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156682888 938405517 /nfs/dbraw/zinc/40/55/17/938405517.db2.gz LZNHCENQFBBLPU-CQSZACIVSA-N 2 2 290.411 1.203 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC001160436677 938786949 /nfs/dbraw/zinc/78/69/49/938786949.db2.gz MGMJCINCDREDLR-UHFFFAOYSA-N 2 2 259.353 1.089 20 30 CDEDLP Cc1c[nH+]c(NCCC[NH2+]CCCC[NH3+])c(/C=N/O)c1 ZINC001162291452 938972387 /nfs/dbraw/zinc/97/23/87/938972387.db2.gz FICDAWFMDLUHGX-YBFXNURJSA-N 3 2 279.388 1.329 20 30 CDEDLP Cc1c[nH+]c(NC[C@@H]2CC[NH2+]C[C@@H]2F)c(/C=N/O)c1 ZINC001162805051 939146903 /nfs/dbraw/zinc/14/69/03/939146903.db2.gz GWARBTYLJUWJAP-VYGCAUJMSA-N 2 2 266.320 1.558 20 30 CDEDLP Cc1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1C#N ZINC001164210781 939430500 /nfs/dbraw/zinc/43/05/00/939430500.db2.gz IRNKMBVNKQSWBN-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP C#CCC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204068237 939728461 /nfs/dbraw/zinc/72/84/61/939728461.db2.gz BFOZYTGKKRBWFH-UHFFFAOYSA-N 2 2 288.395 1.267 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215134422 940859928 /nfs/dbraw/zinc/85/99/28/940859928.db2.gz MHTXTKSLCIMODO-ZIAGYGMSSA-N 2 2 298.390 1.961 20 30 CDEDLP C=CCN(CC[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+])C(=O)OCC ZINC001236213201 944431521 /nfs/dbraw/zinc/43/15/21/944431521.db2.gz NWEWPXBYGIDKFL-KBPBESRZSA-N 2 2 283.416 1.833 20 30 CDEDLP C=CCN(CC[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+])C(=O)OCC ZINC001236213201 944431519 /nfs/dbraw/zinc/43/15/19/944431519.db2.gz NWEWPXBYGIDKFL-KBPBESRZSA-N 2 2 283.416 1.833 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237415917 944763918 /nfs/dbraw/zinc/76/39/18/944763918.db2.gz PBAWOFNNNRJPAA-UKRRQHHQSA-N 2 2 271.364 1.838 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237415917 944763920 /nfs/dbraw/zinc/76/39/20/944763920.db2.gz PBAWOFNNNRJPAA-UKRRQHHQSA-N 2 2 271.364 1.838 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001418550825 973961530 /nfs/dbraw/zinc/96/15/30/973961530.db2.gz CSOYSIVWCQYHAX-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001418550825 973961541 /nfs/dbraw/zinc/96/15/41/973961541.db2.gz CSOYSIVWCQYHAX-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001245994426 947886080 /nfs/dbraw/zinc/88/60/80/947886080.db2.gz KLYAIRXIFAPEBT-QLFBSQMISA-N 2 2 272.433 1.268 20 30 CDEDLP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246012599 947891687 /nfs/dbraw/zinc/89/16/87/947891687.db2.gz BJXBSBYPNKQBFU-HUUCEWRRSA-N 2 2 271.449 1.249 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001252558294 951453366 /nfs/dbraw/zinc/45/33/66/951453366.db2.gz SHDBQXYSPRSMNY-OAHLLOKOSA-N 2 2 277.368 1.149 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)Cn1cc[nH+]c1C ZINC001493058645 971934119 /nfs/dbraw/zinc/93/41/19/971934119.db2.gz NNRROTJXTCXIOC-UHFFFAOYSA-N 2 2 284.791 1.382 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)Cn1cc[nH+]c1C ZINC001493058645 971934124 /nfs/dbraw/zinc/93/41/24/971934124.db2.gz NNRROTJXTCXIOC-UHFFFAOYSA-N 2 2 284.791 1.382 20 30 CDEDLP N#CC1(c2ccccc2)CC([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC001326472605 954397050 /nfs/dbraw/zinc/39/70/50/954397050.db2.gz DCYMEIVOGIOAEE-HWOWSKLDSA-N 2 2 255.365 1.937 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001370954429 960242273 /nfs/dbraw/zinc/24/22/73/960242273.db2.gz UQSBFZSTNUSMCW-CYBMUJFWSA-N 2 2 296.802 1.675 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001419041630 961290240 /nfs/dbraw/zinc/29/02/40/961290240.db2.gz WJAUKKSGMKRCRC-UHFFFAOYSA-N 2 2 273.808 1.129 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001419041630 961290259 /nfs/dbraw/zinc/29/02/59/961290259.db2.gz WJAUKKSGMKRCRC-UHFFFAOYSA-N 2 2 273.808 1.129 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC001340820501 963138729 /nfs/dbraw/zinc/13/87/29/963138729.db2.gz GOUAZWSMEAGVNL-CYBMUJFWSA-N 2 2 264.373 1.463 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001446593744 966593202 /nfs/dbraw/zinc/59/32/02/966593202.db2.gz KYVZPURWBCPRIX-CQSZACIVSA-N 2 2 296.802 1.533 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480114572 967075252 /nfs/dbraw/zinc/07/52/52/967075252.db2.gz XLQXXULMWYBNEJ-AWEZNQCLSA-N 2 2 276.384 1.430 20 30 CDEDLP Cc1cccn2cc(CCNC3=[NH+]CCN3C)[nH+]c12 ZINC000849003084 969397461 /nfs/dbraw/zinc/39/74/61/969397461.db2.gz BOSAYDXPUXINNC-UHFFFAOYSA-N 2 2 257.341 1.076 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000591765859 342645766 /nfs/dbraw/zinc/64/57/66/342645766.db2.gz LYQSWYZPXJTLMV-CQSZACIVSA-N 2 2 293.798 1.756 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000591765859 342645767 /nfs/dbraw/zinc/64/57/67/342645767.db2.gz LYQSWYZPXJTLMV-CQSZACIVSA-N 2 2 293.798 1.756 20 30 CDEDLP CN(C)c1[nH+]cc(C[NH2+]CCc2ccc(C#N)cc2)n1C ZINC000594955407 342982975 /nfs/dbraw/zinc/98/29/75/342982975.db2.gz OFFAWEOUQHSBHH-UHFFFAOYSA-N 2 2 283.379 1.690 20 30 CDEDLP N#CCCOCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595472551 343073476 /nfs/dbraw/zinc/07/34/76/343073476.db2.gz MVRZIRJGCBTFDV-HNNXBMFYSA-N 2 2 281.400 1.103 20 30 CDEDLP N#CCCOCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595472551 343073477 /nfs/dbraw/zinc/07/34/77/343073477.db2.gz MVRZIRJGCBTFDV-HNNXBMFYSA-N 2 2 281.400 1.103 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508378 343080537 /nfs/dbraw/zinc/08/05/37/343080537.db2.gz WSYHINBERPOIAZ-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508378 343080538 /nfs/dbraw/zinc/08/05/38/343080538.db2.gz WSYHINBERPOIAZ-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595508378 343080539 /nfs/dbraw/zinc/08/05/39/343080539.db2.gz WSYHINBERPOIAZ-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595508378 343080540 /nfs/dbraw/zinc/08/05/40/343080540.db2.gz WSYHINBERPOIAZ-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602507389 344458048 /nfs/dbraw/zinc/45/80/48/344458048.db2.gz IBUBEDNEJZRMDW-CABCVRRESA-N 2 2 267.417 1.873 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602507389 344458049 /nfs/dbraw/zinc/45/80/49/344458049.db2.gz IBUBEDNEJZRMDW-CABCVRRESA-N 2 2 267.417 1.873 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602843374 344622704 /nfs/dbraw/zinc/62/27/04/344622704.db2.gz UYNLBMRXGIZHQV-SJORKVTESA-N 2 2 287.407 1.905 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602843374 344622705 /nfs/dbraw/zinc/62/27/05/344622705.db2.gz UYNLBMRXGIZHQV-SJORKVTESA-N 2 2 287.407 1.905 20 30 CDEDLP C[C@@H]1Cc2[nH+]cn(C[C@H](O)C[N@H+](C)CCC#N)c2C[C@@H]1C ZINC000414128740 362921448 /nfs/dbraw/zinc/92/14/48/362921448.db2.gz SMVGURZCKCICQZ-HZSPNIEDSA-N 2 2 290.411 1.460 20 30 CDEDLP C[C@@H]1Cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CCC#N)c2C[C@@H]1C ZINC000414128740 362921454 /nfs/dbraw/zinc/92/14/54/362921454.db2.gz SMVGURZCKCICQZ-HZSPNIEDSA-N 2 2 290.411 1.460 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000264084333 362961991 /nfs/dbraw/zinc/96/19/91/362961991.db2.gz JEWHALYTLFLIEW-CQSZACIVSA-N 2 2 276.384 1.388 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000109827812 186275848 /nfs/dbraw/zinc/27/58/48/186275848.db2.gz CARSWAHVKWBOON-UHFFFAOYSA-N 2 2 295.390 1.989 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000109827812 186275850 /nfs/dbraw/zinc/27/58/50/186275850.db2.gz CARSWAHVKWBOON-UHFFFAOYSA-N 2 2 295.390 1.989 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000311991747 350737053 /nfs/dbraw/zinc/73/70/53/350737053.db2.gz QAZVHJMMNRCTQG-OAHLLOKOSA-N 2 2 259.353 1.103 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000311991747 350737054 /nfs/dbraw/zinc/73/70/54/350737054.db2.gz QAZVHJMMNRCTQG-OAHLLOKOSA-N 2 2 259.353 1.103 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156450767 188262542 /nfs/dbraw/zinc/26/25/42/188262542.db2.gz FONIIWJDUHWFDN-IHRRRGAJSA-N 2 2 276.384 1.457 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156450767 188262544 /nfs/dbraw/zinc/26/25/44/188262544.db2.gz FONIIWJDUHWFDN-IHRRRGAJSA-N 2 2 276.384 1.457 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000583572843 361030303 /nfs/dbraw/zinc/03/03/03/361030303.db2.gz CSDOZXMOYCACIN-FMKPAKJESA-N 2 2 277.412 1.864 20 30 CDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000583572843 361030308 /nfs/dbraw/zinc/03/03/08/361030308.db2.gz CSDOZXMOYCACIN-FMKPAKJESA-N 2 2 277.412 1.864 20 30 CDEDLP C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000329321900 361478443 /nfs/dbraw/zinc/47/84/43/361478443.db2.gz UOLXFDHFGLKZEU-GFCCVEGCSA-N 2 2 289.383 1.263 20 30 CDEDLP C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)C1=CC[N@@H+](C)CC1 ZINC000329321900 361478446 /nfs/dbraw/zinc/47/84/46/361478446.db2.gz UOLXFDHFGLKZEU-GFCCVEGCSA-N 2 2 289.383 1.263 20 30 CDEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC[C@]1(C)CCCS1 ZINC000159264690 364175894 /nfs/dbraw/zinc/17/58/94/364175894.db2.gz KLUHDOCKWCUOEI-ZDUSSCGKSA-N 2 2 281.429 1.334 20 30 CDEDLP COCC[NH+]1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177690847 372109768 /nfs/dbraw/zinc/10/97/68/372109768.db2.gz OYWPEJNRWRMJKI-UHFFFAOYSA-N 2 2 279.409 1.820 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(C#N)cc1 ZINC000423509051 374385021 /nfs/dbraw/zinc/38/50/21/374385021.db2.gz IJZIFMSLYYNNLW-WFASDCNBSA-N 2 2 258.369 1.112 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509854 376928628 /nfs/dbraw/zinc/92/86/28/376928628.db2.gz IEQPLBRPJWFKFI-DZKIICNBSA-N 2 2 291.439 1.626 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509854 376928635 /nfs/dbraw/zinc/92/86/35/376928635.db2.gz IEQPLBRPJWFKFI-DZKIICNBSA-N 2 2 291.439 1.626 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246509854 376928645 /nfs/dbraw/zinc/92/86/45/376928645.db2.gz IEQPLBRPJWFKFI-DZKIICNBSA-N 2 2 291.439 1.626 20 30 CDEDLP C=CC1CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000171953637 377193392 /nfs/dbraw/zinc/19/33/92/377193392.db2.gz BRPMSVYKUZJQNZ-AWEZNQCLSA-N 2 2 279.428 1.437 20 30 CDEDLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000174266869 379425437 /nfs/dbraw/zinc/42/54/37/379425437.db2.gz MMGCLXCTAXNWKE-UHFFFAOYSA-N 2 2 251.330 1.209 20 30 CDEDLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000174266869 379425444 /nfs/dbraw/zinc/42/54/44/379425444.db2.gz MMGCLXCTAXNWKE-UHFFFAOYSA-N 2 2 251.330 1.209 20 30 CDEDLP C=CCOc1ccccc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000575040391 335057770 /nfs/dbraw/zinc/05/77/70/335057770.db2.gz WGDRLWAOCPDEQF-INIZCTEOSA-N 2 2 290.407 1.796 20 30 CDEDLP C=CCOc1ccccc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000575040391 335057771 /nfs/dbraw/zinc/05/77/71/335057771.db2.gz WGDRLWAOCPDEQF-INIZCTEOSA-N 2 2 290.407 1.796 20 30 CDEDLP CC(C)[NH+]1CCC([NH+]2CCN(CCC#N)CC2)CC1 ZINC000336799800 262396647 /nfs/dbraw/zinc/39/66/47/262396647.db2.gz KBPTYLJPUXIFAR-UHFFFAOYSA-N 2 2 264.417 1.390 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000599007675 390320298 /nfs/dbraw/zinc/32/02/98/390320298.db2.gz SOSMVKYJTTZSAJ-MAEOIBBWSA-N 2 2 299.418 1.883 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000104154786 390484580 /nfs/dbraw/zinc/48/45/80/390484580.db2.gz GLYAGBOWMBYGTF-LLVKDONJSA-N 2 2 266.414 1.831 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000104167935 390485921 /nfs/dbraw/zinc/48/59/21/390485921.db2.gz VHSRLSZCGIVZLX-SMDDNHRTSA-N 2 2 296.390 1.368 20 30 CDEDLP CC[C@@H]1CN(C(NCCn2cc[nH+]c2)=[NH+]C)CCS1 ZINC000262038111 390990959 /nfs/dbraw/zinc/99/09/59/390990959.db2.gz XXBUNQJNAGRGIA-GFCCVEGCSA-N 2 2 281.429 1.286 20 30 CDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442795860 391051050 /nfs/dbraw/zinc/05/10/50/391051050.db2.gz SDSLJRUHLGVGRL-ZNMIVQPWSA-N 2 2 292.427 1.211 20 30 CDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442795860 391051052 /nfs/dbraw/zinc/05/10/52/391051052.db2.gz SDSLJRUHLGVGRL-ZNMIVQPWSA-N 2 2 292.427 1.211 20 30 CDEDLP CCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000261996114 391753067 /nfs/dbraw/zinc/75/30/67/391753067.db2.gz NYXVDYMHGCKCAQ-LLVKDONJSA-N 2 2 280.441 1.809 20 30 CDEDLP CCCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000261996114 391753069 /nfs/dbraw/zinc/75/30/69/391753069.db2.gz NYXVDYMHGCKCAQ-LLVKDONJSA-N 2 2 280.441 1.809 20 30 CDEDLP CC#CCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373354067 397675076 /nfs/dbraw/zinc/67/50/76/397675076.db2.gz MRSIEUNSNMFFSX-HNNXBMFYSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373354067 397675079 /nfs/dbraw/zinc/67/50/79/397675079.db2.gz MRSIEUNSNMFFSX-HNNXBMFYSA-N 2 2 291.439 1.465 20 30 CDEDLP C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159955813 261200168 /nfs/dbraw/zinc/20/01/68/261200168.db2.gz MXEAOLPULQQWMT-XJFOESAGSA-N 2 2 275.400 1.750 20 30 CDEDLP C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159955946 261200244 /nfs/dbraw/zinc/20/02/44/261200244.db2.gz MXEAOLPULQQWMT-IGQOVBAYSA-N 2 2 275.400 1.750 20 30 CDEDLP C=CCc1cc(C[NH2+]CC[NH2+]C)cc(OC)c1O ZINC000414824790 263055338 /nfs/dbraw/zinc/05/53/38/263055338.db2.gz RJUVHCMJFCNEET-UHFFFAOYSA-N 2 2 250.342 1.438 20 30 CDEDLP CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000330860432 264055824 /nfs/dbraw/zinc/05/58/24/264055824.db2.gz KVFORUPZLOOSBY-CHWSQXEVSA-N 2 2 298.431 1.231 20 30 CDEDLP CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000330860432 264055826 /nfs/dbraw/zinc/05/58/26/264055826.db2.gz KVFORUPZLOOSBY-CHWSQXEVSA-N 2 2 298.431 1.231 20 30 CDEDLP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000330860432 264055829 /nfs/dbraw/zinc/05/58/29/264055829.db2.gz KVFORUPZLOOSBY-CHWSQXEVSA-N 2 2 298.431 1.231 20 30 CDEDLP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000330860432 264055830 /nfs/dbraw/zinc/05/58/30/264055830.db2.gz KVFORUPZLOOSBY-CHWSQXEVSA-N 2 2 298.431 1.231 20 30 CDEDLP C=CCOc1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653077623 423854060 /nfs/dbraw/zinc/85/40/60/423854060.db2.gz FUBAODBOAIIKQS-CQSZACIVSA-N 2 2 277.368 1.469 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655772867 424549283 /nfs/dbraw/zinc/54/92/83/424549283.db2.gz UGJFQPLNZKNRQO-OAGGEKHMSA-N 2 2 280.412 1.563 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C#N)c(F)c1 ZINC000567490904 293795685 /nfs/dbraw/zinc/79/56/85/293795685.db2.gz XFFMBZBFEXVQJW-FZMZJTMJSA-N 2 2 277.343 1.726 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000563365269 328059228 /nfs/dbraw/zinc/05/92/28/328059228.db2.gz PWCAWSNBCLKGLE-KGLIPLIRSA-N 2 2 265.401 1.864 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000563365269 328059229 /nfs/dbraw/zinc/05/92/29/328059229.db2.gz PWCAWSNBCLKGLE-KGLIPLIRSA-N 2 2 265.401 1.864 20 30 CDEDLP C=C(C)CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000458989385 331264484 /nfs/dbraw/zinc/26/44/84/331264484.db2.gz BCSHCBUMPQXLMF-UHFFFAOYSA-N 2 2 296.459 1.620 20 30 CDEDLP C=C(C)CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000458989385 331264485 /nfs/dbraw/zinc/26/44/85/331264485.db2.gz BCSHCBUMPQXLMF-UHFFFAOYSA-N 2 2 296.459 1.620 20 30 CDEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CCCCC1 ZINC000491450765 332213466 /nfs/dbraw/zinc/21/34/66/332213466.db2.gz CCPPGGQPKSMIKU-HNNXBMFYSA-N 2 2 252.402 1.567 20 30 CDEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1CCCCC1 ZINC000491450765 332213468 /nfs/dbraw/zinc/21/34/68/332213468.db2.gz CCPPGGQPKSMIKU-HNNXBMFYSA-N 2 2 252.402 1.567 20 30 CDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1CCCCC1 ZINC000491450765 332213470 /nfs/dbraw/zinc/21/34/70/332213470.db2.gz CCPPGGQPKSMIKU-HNNXBMFYSA-N 2 2 252.402 1.567 20 30 CDEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1CCCCC1 ZINC000491450765 332213471 /nfs/dbraw/zinc/21/34/71/332213471.db2.gz CCPPGGQPKSMIKU-HNNXBMFYSA-N 2 2 252.402 1.567 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000491665343 332274055 /nfs/dbraw/zinc/27/40/55/332274055.db2.gz UNFOHOQZOIMJOE-UHFFFAOYSA-N 2 2 285.391 1.660 20 30 CDEDLP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755239501 1159810945 /nfs/dbraw/zinc/81/09/45/1159810945.db2.gz CPMXZFXOORGKNT-KGLIPLIRSA-N 2 2 290.411 1.433 20 30 CDEDLP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001753720449 1159893702 /nfs/dbraw/zinc/89/37/02/1159893702.db2.gz ABVSTAREQXFMCI-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP CCC#C[C@@H](C)[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000671730120 482535549 /nfs/dbraw/zinc/53/55/49/482535549.db2.gz FBLJINCPKPCMDG-MRXNPFEDSA-N 2 2 296.455 1.848 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000068801063 525421718 /nfs/dbraw/zinc/42/17/18/525421718.db2.gz YVRIFBZQRSAMTB-BBRMVZONSA-N 2 2 272.396 1.455 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000068801063 525421728 /nfs/dbraw/zinc/42/17/28/525421728.db2.gz YVRIFBZQRSAMTB-BBRMVZONSA-N 2 2 272.396 1.455 20 30 CDEDLP CN(C)c1ccc(C=[NH+]N2CC[NH+](C)CC2)cc1F ZINC000727650785 574593308 /nfs/dbraw/zinc/59/33/08/574593308.db2.gz UGXLFYZNWOPZLS-UHFFFAOYSA-N 2 2 264.348 1.473 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000763251512 576725945 /nfs/dbraw/zinc/72/59/45/576725945.db2.gz ZUBIZVGMXJZAOU-UHFFFAOYSA-N 2 2 291.439 1.276 20 30 CDEDLP C=CCC[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000949118146 613511582 /nfs/dbraw/zinc/51/15/82/613511582.db2.gz ZHAOUAPOCSQALN-UHFFFAOYSA-N 2 2 284.363 1.668 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C[C@@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894229344 618739082 /nfs/dbraw/zinc/73/90/82/618739082.db2.gz OYMDIIWURWFFGY-VXGBXAGGSA-N 2 2 288.338 1.281 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001253392719 951876548 /nfs/dbraw/zinc/87/65/48/951876548.db2.gz KTUYYARRVWRAJN-CHWSQXEVSA-N 2 2 253.390 1.361 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001253392719 951876554 /nfs/dbraw/zinc/87/65/54/951876554.db2.gz KTUYYARRVWRAJN-CHWSQXEVSA-N 2 2 253.390 1.361 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397563019 1158577916 /nfs/dbraw/zinc/57/79/16/1158577916.db2.gz BNJISEPEVQZHEE-UONOGXRCSA-N 2 2 253.390 1.315 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397563019 1158577917 /nfs/dbraw/zinc/57/79/17/1158577917.db2.gz BNJISEPEVQZHEE-UONOGXRCSA-N 2 2 253.390 1.315 20 30 CDEDLP N#CC1(c2cc[nH+]c(NCCOCCOCC[NH3+])c2)CC1 ZINC001170508677 1162680573 /nfs/dbraw/zinc/68/05/73/1162680573.db2.gz WFLBBKAXMNPLEH-UHFFFAOYSA-N 2 2 290.367 1.041 20 30 CDEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001113582101 1162231956 /nfs/dbraw/zinc/23/19/56/1162231956.db2.gz ZBFLSXZILVUGKF-ZDUSSCGKSA-N 2 2 290.411 1.760 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135579 1163579594 /nfs/dbraw/zinc/57/95/94/1163579594.db2.gz UHKNGOWWGZFRHT-UONOGXRCSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135556494 1164154584 /nfs/dbraw/zinc/15/45/84/1164154584.db2.gz GAIPCMOFEVOWJS-NWDGAFQWSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001666476338 1173138955 /nfs/dbraw/zinc/13/89/55/1173138955.db2.gz TVEDWDSNTMVJJQ-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001752414448 1184858401 /nfs/dbraw/zinc/85/84/01/1184858401.db2.gz PENNCMJLUCDGAH-KGLIPLIRSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001752414448 1184858405 /nfs/dbraw/zinc/85/84/05/1184858405.db2.gz PENNCMJLUCDGAH-KGLIPLIRSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCC[C@H](C)[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001753070763 1185038025 /nfs/dbraw/zinc/03/80/25/1185038025.db2.gz MYDWUQMOUBUUML-ZDUSSCGKSA-N 2 2 278.400 1.365 20 30 CDEDLP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001753070763 1185038030 /nfs/dbraw/zinc/03/80/30/1185038030.db2.gz MYDWUQMOUBUUML-ZDUSSCGKSA-N 2 2 278.400 1.365 20 30 CDEDLP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001753204803 1185116173 /nfs/dbraw/zinc/11/61/73/1185116173.db2.gz ARYKHYMQRKZCOI-LBPRGKRZSA-N 2 2 296.802 1.246 20 30 CDEDLP C=C(C)C[NH2+][C@H](CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001753487398 1185232686 /nfs/dbraw/zinc/23/26/86/1185232686.db2.gz GDBYGQNNMXBTET-LLVKDONJSA-N 2 2 250.346 1.013 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001755163052 1185837321 /nfs/dbraw/zinc/83/73/21/1185837321.db2.gz CIXQBGVZVYUHBJ-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001755163052 1185837330 /nfs/dbraw/zinc/83/73/30/1185837330.db2.gz CIXQBGVZVYUHBJ-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001755213685 1185857634 /nfs/dbraw/zinc/85/76/34/1185857634.db2.gz PHFKDCGOVKEXMR-MOKVOYLWSA-N 2 2 288.395 1.116 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664430 1163839088 /nfs/dbraw/zinc/83/90/88/1163839088.db2.gz QVBDCBFGGRXPLG-CHWSQXEVSA-N 2 2 290.411 1.890 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(F)ccc1OC ZINC000328135681 818214277 /nfs/dbraw/zinc/21/42/77/818214277.db2.gz YANAVEGLGKOOFD-UHFFFAOYSA-N 2 2 264.344 1.879 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(F)ccc1OC ZINC000328135681 818214295 /nfs/dbraw/zinc/21/42/95/818214295.db2.gz YANAVEGLGKOOFD-UHFFFAOYSA-N 2 2 264.344 1.879 20 30 CDEDLP CCNC(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]CC ZINC000303379356 818282008 /nfs/dbraw/zinc/28/20/08/818282008.db2.gz QLOUXRVBWQZHPA-BETUJISGSA-N 2 2 284.448 1.449 20 30 CDEDLP CCNC(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]CC ZINC000303379356 818282014 /nfs/dbraw/zinc/28/20/14/818282014.db2.gz QLOUXRVBWQZHPA-BETUJISGSA-N 2 2 284.448 1.449 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC000996517563 818286747 /nfs/dbraw/zinc/28/67/47/818286747.db2.gz FPCWGTKSQOBZDP-CYBMUJFWSA-N 2 2 290.411 1.700 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC001027939404 818364678 /nfs/dbraw/zinc/36/46/78/818364678.db2.gz PFGMZZNPNNJQGV-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC001027939404 818364684 /nfs/dbraw/zinc/36/46/84/818364684.db2.gz PFGMZZNPNNJQGV-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC001027939404 818364689 /nfs/dbraw/zinc/36/46/89/818364689.db2.gz PFGMZZNPNNJQGV-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC001027939404 818364693 /nfs/dbraw/zinc/36/46/93/818364693.db2.gz PFGMZZNPNNJQGV-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001000698283 818478805 /nfs/dbraw/zinc/47/88/05/818478805.db2.gz UTPJCDXVGNQQNQ-GFCCVEGCSA-N 2 2 276.384 1.454 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CC1(C#N)CCC1 ZINC000886094159 818709995 /nfs/dbraw/zinc/70/99/95/818709995.db2.gz NVRMAOKUDAKOAQ-CQSZACIVSA-N 2 2 276.384 1.650 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CC1(C#N)CCC1 ZINC000886094159 818710002 /nfs/dbraw/zinc/71/00/02/818710002.db2.gz NVRMAOKUDAKOAQ-CQSZACIVSA-N 2 2 276.384 1.650 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042711288 818785541 /nfs/dbraw/zinc/78/55/41/818785541.db2.gz PYYZLWDHKOMPDW-HNNXBMFYSA-N 2 2 279.428 1.578 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042711288 818785550 /nfs/dbraw/zinc/78/55/50/818785550.db2.gz PYYZLWDHKOMPDW-HNNXBMFYSA-N 2 2 279.428 1.578 20 30 CDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642771 818800968 /nfs/dbraw/zinc/80/09/68/818800968.db2.gz VRXUDRBFCWPDJP-CQSZACIVSA-N 2 2 296.374 1.780 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642771 818800970 /nfs/dbraw/zinc/80/09/70/818800970.db2.gz VRXUDRBFCWPDJP-CQSZACIVSA-N 2 2 296.374 1.780 20 30 CDEDLP CCC(CC)[C@H](CNC(=[NH2+])NCC(C)C)[NH+]1CCOCC1 ZINC000303778890 818842671 /nfs/dbraw/zinc/84/26/71/818842671.db2.gz KBDBESCVMNJRRR-HNNXBMFYSA-N 2 2 298.475 1.684 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376423689 818967775 /nfs/dbraw/zinc/96/77/75/818967775.db2.gz CYYMNOMUEPCHJZ-QWHCGFSZSA-N 2 2 276.384 1.290 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376423689 818967778 /nfs/dbraw/zinc/96/77/78/818967778.db2.gz CYYMNOMUEPCHJZ-QWHCGFSZSA-N 2 2 276.384 1.290 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001044876710 819082848 /nfs/dbraw/zinc/08/28/48/819082848.db2.gz BSOOHNRQWOGETR-QWHCGFSZSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007501490 819090019 /nfs/dbraw/zinc/09/00/19/819090019.db2.gz YIEABLMHXJMYMG-KBPBESRZSA-N 2 2 288.395 1.527 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007501490 819090026 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30 CDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001048970154 819595306 /nfs/dbraw/zinc/59/53/06/819595306.db2.gz FKPBGDXBIIQZOI-GASCZTMLSA-N 2 2 288.395 1.240 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001048970154 819595317 /nfs/dbraw/zinc/59/53/17/819595317.db2.gz FKPBGDXBIIQZOI-GASCZTMLSA-N 2 2 288.395 1.240 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001036276143 819646806 /nfs/dbraw/zinc/64/68/06/819646806.db2.gz RBXQNLSEUZNCIL-WCQYABFASA-N 2 2 276.384 1.273 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075745738 819781769 /nfs/dbraw/zinc/78/17/69/819781769.db2.gz RVZJQLVXEOFPMD-UONOGXRCSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075745738 819781783 /nfs/dbraw/zinc/78/17/83/819781783.db2.gz RVZJQLVXEOFPMD-UONOGXRCSA-N 2 2 288.395 1.451 20 30 CDEDLP C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000817920056 819848254 /nfs/dbraw/zinc/84/82/54/819848254.db2.gz ZWZTWNBOVIQQKF-WFASDCNBSA-N 2 2 259.353 1.819 20 30 CDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000852751217 820281322 /nfs/dbraw/zinc/28/13/22/820281322.db2.gz TWJXLJLHNZYUGE-MRXNPFEDSA-N 2 2 255.365 1.929 20 30 CDEDLP N#Cc1ccc(CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000852751217 820281353 /nfs/dbraw/zinc/28/13/53/820281353.db2.gz TWJXLJLHNZYUGE-MRXNPFEDSA-N 2 2 255.365 1.929 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823640 820627868 /nfs/dbraw/zinc/62/78/68/820627868.db2.gz KXXSPEVCNGCGSU-AWEZNQCLSA-N 2 2 290.411 1.889 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823640 820627905 /nfs/dbraw/zinc/62/79/05/820627905.db2.gz KXXSPEVCNGCGSU-AWEZNQCLSA-N 2 2 290.411 1.889 20 30 CDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001017618366 820823989 /nfs/dbraw/zinc/82/39/89/820823989.db2.gz RPTJKRHEBOUXTN-XHSDSOJGSA-N 2 2 289.423 1.025 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000987071948 821005378 /nfs/dbraw/zinc/00/53/78/821005378.db2.gz YWONWIMSPGBBAA-JQWIXIFHSA-N 2 2 282.775 1.284 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001074718229 821078737 /nfs/dbraw/zinc/07/87/37/821078737.db2.gz CLMHYWBRQWZSFA-MJBXVCDLSA-N 2 2 288.395 1.211 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(C)c1Cl ZINC000712435343 821219445 /nfs/dbraw/zinc/21/94/45/821219445.db2.gz NHYGZYGADNBGSJ-UHFFFAOYSA-N 2 2 254.765 1.118 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(C)c1Cl ZINC000712435343 821219460 /nfs/dbraw/zinc/21/94/60/821219460.db2.gz NHYGZYGADNBGSJ-UHFFFAOYSA-N 2 2 254.765 1.118 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038365898 821861062 /nfs/dbraw/zinc/86/10/62/821861062.db2.gz FVEWBOQANMVRQA-YNEHKIRRSA-N 2 2 274.368 1.280 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038365898 821861063 /nfs/dbraw/zinc/86/10/63/821861063.db2.gz FVEWBOQANMVRQA-YNEHKIRRSA-N 2 2 274.368 1.280 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)C3CC3)CC2)cc1 ZINC000776165583 821873530 /nfs/dbraw/zinc/87/35/30/821873530.db2.gz SPINLDOMBOCTDR-GOSISDBHSA-N 2 2 299.418 1.883 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001042911302 821892068 /nfs/dbraw/zinc/89/20/68/821892068.db2.gz LHXQOIWIEIQOQA-AWEZNQCLSA-N 2 2 279.428 1.293 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001042911302 821892070 /nfs/dbraw/zinc/89/20/70/821892070.db2.gz LHXQOIWIEIQOQA-AWEZNQCLSA-N 2 2 279.428 1.293 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033187345 822213324 /nfs/dbraw/zinc/21/33/24/822213324.db2.gz CAFMJGZLGUQQEK-CQSZACIVSA-N 2 2 288.395 1.093 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033187345 822213331 /nfs/dbraw/zinc/21/33/31/822213331.db2.gz CAFMJGZLGUQQEK-CQSZACIVSA-N 2 2 288.395 1.093 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994207260 822361117 /nfs/dbraw/zinc/36/11/17/822361117.db2.gz KGTIDOIMMRSZLX-JSGCOSHPSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994207260 822361122 /nfs/dbraw/zinc/36/11/22/822361122.db2.gz KGTIDOIMMRSZLX-JSGCOSHPSA-N 2 2 276.384 1.118 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989853779 822426605 /nfs/dbraw/zinc/42/66/05/822426605.db2.gz NNMZWXZVQMLOOY-CHWSQXEVSA-N 2 2 262.357 1.038 20 30 CDEDLP C#CC[NH+]1CCC(c2nc([C@@H]3CCC[NH2+]3)no2)CC1 ZINC000842644730 822523866 /nfs/dbraw/zinc/52/38/66/822523866.db2.gz UIAUUMJTNLIKGA-LBPRGKRZSA-N 2 2 260.341 1.307 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001019365688 822639831 /nfs/dbraw/zinc/63/98/31/822639831.db2.gz MZSXNKFGCSWOAI-STQMWFEESA-N 2 2 288.395 1.596 20 30 CDEDLP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001031782569 822644518 /nfs/dbraw/zinc/64/45/18/822644518.db2.gz HCLXTRFORIHYRT-CQSZACIVSA-N 2 2 288.395 1.070 20 30 CDEDLP N#CCc1cc[nH+]c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001155620108 1167262107 /nfs/dbraw/zinc/26/21/07/1167262107.db2.gz JRPYHFCDBHMTLH-HIFRSBDPSA-N 2 2 272.352 1.471 20 30 CDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390298 907091972 /nfs/dbraw/zinc/09/19/72/907091972.db2.gz KUEJSHXBPJWHMN-ZDUSSCGKSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088688292 908772342 /nfs/dbraw/zinc/77/23/42/908772342.db2.gz CVVIDQVHPXOFIX-YPMHNXCESA-N 2 2 292.383 1.115 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088688292 908772353 /nfs/dbraw/zinc/77/23/53/908772353.db2.gz CVVIDQVHPXOFIX-YPMHNXCESA-N 2 2 292.383 1.115 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071472 909495413 /nfs/dbraw/zinc/49/54/13/909495413.db2.gz JYHHXPKLVHEGAA-WLYUNCDWSA-N 2 2 290.411 1.722 20 30 CDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171890760 911006521 /nfs/dbraw/zinc/00/65/21/911006521.db2.gz ZNGSQFCSVWXODK-CQSZACIVSA-N 2 2 292.427 1.803 20 30 CDEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206176261 912000056 /nfs/dbraw/zinc/00/00/56/912000056.db2.gz YYABKPQNOVZYFD-KGLIPLIRSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206176261 912000065 /nfs/dbraw/zinc/00/00/65/912000065.db2.gz YYABKPQNOVZYFD-KGLIPLIRSA-N 2 2 265.307 1.959 20 30 CDEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089620033 915005288 /nfs/dbraw/zinc/00/52/88/915005288.db2.gz ZYHNHGPLMSKFPJ-LSDHHAIUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089620033 915005304 /nfs/dbraw/zinc/00/53/04/915005304.db2.gz ZYHNHGPLMSKFPJ-LSDHHAIUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089620033 915005318 /nfs/dbraw/zinc/00/53/18/915005318.db2.gz ZYHNHGPLMSKFPJ-LSDHHAIUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089620033 915005331 /nfs/dbraw/zinc/00/53/31/915005331.db2.gz ZYHNHGPLMSKFPJ-LSDHHAIUSA-N 2 2 291.439 1.321 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189898009 921740451 /nfs/dbraw/zinc/74/04/51/921740451.db2.gz ACMXPPQQAFLZES-UONOGXRCSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001189898009 921740465 /nfs/dbraw/zinc/74/04/65/921740465.db2.gz ACMXPPQQAFLZES-UONOGXRCSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189898009 921740477 /nfs/dbraw/zinc/74/04/77/921740477.db2.gz ACMXPPQQAFLZES-UONOGXRCSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189898009 921740483 /nfs/dbraw/zinc/74/04/83/921740483.db2.gz ACMXPPQQAFLZES-UONOGXRCSA-N 2 2 299.846 1.613 20 30 CDEDLP C#CC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179706061 915945337 /nfs/dbraw/zinc/94/53/37/915945337.db2.gz UYMOIHCHGNNEMJ-HNNXBMFYSA-N 2 2 290.411 1.734 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922944 917267388 /nfs/dbraw/zinc/26/73/88/917267388.db2.gz UHPDBCBXMCKGOQ-DGCLKSJQSA-N 2 2 276.384 1.131 20 30 CDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079367 917978578 /nfs/dbraw/zinc/97/85/78/917978578.db2.gz ZHMHLXSSMQACHH-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185379118 919564225 /nfs/dbraw/zinc/56/42/25/919564225.db2.gz AFBZHONTJMEEKN-QWHCGFSZSA-N 2 2 276.384 1.212 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185786724 919751851 /nfs/dbraw/zinc/75/18/51/919751851.db2.gz AFCVXQOQXHWTKY-GJZGRUSLSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CCn1cc(C[N@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001139770923 936645308 /nfs/dbraw/zinc/64/53/08/936645308.db2.gz HORTZWBMSHVWDG-UHFFFAOYSA-N 2 2 257.341 1.324 20 30 CDEDLP C=CCn1cc(C[N@@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001139770923 936645310 /nfs/dbraw/zinc/64/53/10/936645310.db2.gz HORTZWBMSHVWDG-UHFFFAOYSA-N 2 2 257.341 1.324 20 30 CDEDLP C=CCn1ccc2c1ncnc2NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735340 921826525 /nfs/dbraw/zinc/82/65/25/921826525.db2.gz OWXSKGPPCAKICA-UHFFFAOYSA-N 2 2 299.382 1.211 20 30 CDEDLP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001140971274 936785700 /nfs/dbraw/zinc/78/57/00/936785700.db2.gz OAEWDGQSXUMPNM-OAHLLOKOSA-N 2 2 284.407 1.784 20 30 CDEDLP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C#N)C2)CC1 ZINC001140971274 936785701 /nfs/dbraw/zinc/78/57/01/936785701.db2.gz OAEWDGQSXUMPNM-OAHLLOKOSA-N 2 2 284.407 1.784 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269866 925106826 /nfs/dbraw/zinc/10/68/26/925106826.db2.gz UEEQVYVQFULBTJ-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269866 925106832 /nfs/dbraw/zinc/10/68/32/925106832.db2.gz UEEQVYVQFULBTJ-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085231528 925824660 /nfs/dbraw/zinc/82/46/60/925824660.db2.gz FDNQNMREFFQFBL-AAVRWANBSA-N 2 2 286.379 1.163 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085231528 925824671 /nfs/dbraw/zinc/82/46/71/925824671.db2.gz FDNQNMREFFQFBL-AAVRWANBSA-N 2 2 286.379 1.163 20 30 CDEDLP C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169269442 927916461 /nfs/dbraw/zinc/91/64/61/927916461.db2.gz WDRKTIFCSXDAAX-AWEZNQCLSA-N 2 2 295.427 1.847 20 30 CDEDLP C=CCOC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169269442 927916466 /nfs/dbraw/zinc/91/64/66/927916466.db2.gz WDRKTIFCSXDAAX-AWEZNQCLSA-N 2 2 295.427 1.847 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001253188262 929901791 /nfs/dbraw/zinc/90/17/91/929901791.db2.gz UDQDQVZSQMCFRN-UONOGXRCSA-N 2 2 253.390 1.315 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](C#N)CC1 ZINC001253188262 929901798 /nfs/dbraw/zinc/90/17/98/929901798.db2.gz UDQDQVZSQMCFRN-UONOGXRCSA-N 2 2 253.390 1.315 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134965350 929981659 /nfs/dbraw/zinc/98/16/59/929981659.db2.gz WVTKEAWFMJUABH-KBPBESRZSA-N 2 2 298.390 1.844 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153897399 937481918 /nfs/dbraw/zinc/48/19/18/937481918.db2.gz PLWNULBSGGVIQT-JHJVBQTASA-N 2 2 276.384 1.526 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153897399 937481919 /nfs/dbraw/zinc/48/19/19/937481919.db2.gz PLWNULBSGGVIQT-JHJVBQTASA-N 2 2 276.384 1.526 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153897399 937481921 /nfs/dbraw/zinc/48/19/21/937481921.db2.gz PLWNULBSGGVIQT-JHJVBQTASA-N 2 2 276.384 1.526 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153897399 937481923 /nfs/dbraw/zinc/48/19/23/937481923.db2.gz PLWNULBSGGVIQT-JHJVBQTASA-N 2 2 276.384 1.526 20 30 CDEDLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000844171015 931551209 /nfs/dbraw/zinc/55/12/09/931551209.db2.gz HTLJLNPXUGRPQY-LBPRGKRZSA-N 2 2 298.350 1.535 20 30 CDEDLP CC[C@@H]1CC(N2CC[NH2+]C[C@@H]2C#N)C[C@@H](CC)[NH2+]1 ZINC001246596964 932048925 /nfs/dbraw/zinc/04/89/25/932048925.db2.gz ZYYIUFVIAILDJY-BZPMIXESSA-N 2 2 250.390 1.093 20 30 CDEDLP C=CC[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccs1 ZINC001118198888 937601208 /nfs/dbraw/zinc/60/12/08/937601208.db2.gz XVKIJARNHBBWAJ-UHFFFAOYSA-N 2 2 279.409 1.168 20 30 CDEDLP C=CC[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccs1 ZINC001118198888 937601211 /nfs/dbraw/zinc/60/12/11/937601211.db2.gz XVKIJARNHBBWAJ-UHFFFAOYSA-N 2 2 279.409 1.168 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007501492 935383744 /nfs/dbraw/zinc/38/37/44/935383744.db2.gz YIEABLMHXJMYMG-KGLIPLIRSA-N 2 2 288.395 1.527 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007501492 935383748 /nfs/dbraw/zinc/38/37/48/935383748.db2.gz YIEABLMHXJMYMG-KGLIPLIRSA-N 2 2 288.395 1.527 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009224163 935421297 /nfs/dbraw/zinc/42/12/97/935421297.db2.gz JLTXXEHCSFYDMC-ZDUSSCGKSA-N 2 2 297.830 1.415 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009224163 935421300 /nfs/dbraw/zinc/42/13/00/935421300.db2.gz JLTXXEHCSFYDMC-ZDUSSCGKSA-N 2 2 297.830 1.415 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046557898 935959617 /nfs/dbraw/zinc/95/96/17/935959617.db2.gz PRCSDHQRADPBBR-DZGCQCFKSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046557898 935959619 /nfs/dbraw/zinc/95/96/19/935959619.db2.gz PRCSDHQRADPBBR-DZGCQCFKSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046557898 935959620 /nfs/dbraw/zinc/95/96/20/935959620.db2.gz PRCSDHQRADPBBR-DZGCQCFKSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046557898 935959622 /nfs/dbraw/zinc/95/96/22/935959622.db2.gz PRCSDHQRADPBBR-DZGCQCFKSA-N 2 2 299.846 1.804 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001121898188 937888203 /nfs/dbraw/zinc/88/82/03/937888203.db2.gz YDTOFHHSZDROQI-CQSZACIVSA-N 2 2 288.395 1.414 20 30 CDEDLP CC#CC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158061732 938579379 /nfs/dbraw/zinc/57/93/79/938579379.db2.gz FBODYFFWZOTGBI-UHFFFAOYSA-N 2 2 284.363 1.376 20 30 CDEDLP Cc1cc(C#N)c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc1C ZINC001158258754 938601267 /nfs/dbraw/zinc/60/12/67/938601267.db2.gz IKYOJRRDAYXIRS-OAHLLOKOSA-N 2 2 299.422 1.572 20 30 CDEDLP Cc1cc(C#N)c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc1C ZINC001158258754 938601269 /nfs/dbraw/zinc/60/12/69/938601269.db2.gz IKYOJRRDAYXIRS-OAHLLOKOSA-N 2 2 299.422 1.572 20 30 CDEDLP CC#CC[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162917947 939160772 /nfs/dbraw/zinc/16/07/72/939160772.db2.gz VIYFUVAYLBMDAR-UHFFFAOYSA-N 2 2 273.380 1.740 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ncnc3[nH]cc(C#N)c31)CC[NH2+]CC2 ZINC001165352668 939550256 /nfs/dbraw/zinc/55/02/56/939550256.db2.gz ZTEDLGHRCWMOHT-UHFFFAOYSA-N 2 2 293.334 1.012 20 30 CDEDLP Cc1[nH+]c2c(n1-c1cc(C)c(C#N)cn1)CC[NH2+]CC2 ZINC001165352788 939550677 /nfs/dbraw/zinc/55/06/77/939550677.db2.gz FOBIUAHEXMMOIQ-UHFFFAOYSA-N 2 2 267.336 1.444 20 30 CDEDLP CC#CC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474561 939609629 /nfs/dbraw/zinc/60/96/29/939609629.db2.gz QNZFXQSFGCXXAY-UHFFFAOYSA-N 2 2 288.395 1.173 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204675131 939784856 /nfs/dbraw/zinc/78/48/56/939784856.db2.gz HWQAAALBSFVXJL-UHFFFAOYSA-N 2 2 272.396 1.832 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204675131 939784858 /nfs/dbraw/zinc/78/48/58/939784858.db2.gz HWQAAALBSFVXJL-UHFFFAOYSA-N 2 2 272.396 1.832 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205787496 939936771 /nfs/dbraw/zinc/93/67/71/939936771.db2.gz HNLXXZDBPIOHLQ-LBPRGKRZSA-N 2 2 281.306 1.680 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205787496 939936774 /nfs/dbraw/zinc/93/67/74/939936774.db2.gz HNLXXZDBPIOHLQ-LBPRGKRZSA-N 2 2 281.306 1.680 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252453 940312323 /nfs/dbraw/zinc/31/23/23/940312323.db2.gz LXWBAWPNOGEEFE-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252453 940312325 /nfs/dbraw/zinc/31/23/25/940312325.db2.gz LXWBAWPNOGEEFE-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985424 940419221 /nfs/dbraw/zinc/41/92/21/940419221.db2.gz SIOBMGQYLOPDRM-QLFBSQMISA-N 2 2 290.411 1.847 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985424 940419224 /nfs/dbraw/zinc/41/92/24/940419224.db2.gz SIOBMGQYLOPDRM-QLFBSQMISA-N 2 2 290.411 1.847 20 30 CDEDLP N#Cc1oc2ccccc2c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218627267 941247903 /nfs/dbraw/zinc/24/79/03/941247903.db2.gz DQQQYVJFBLGOBW-LLVKDONJSA-N 2 2 295.302 1.536 20 30 CDEDLP C#CC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224796189 941794019 /nfs/dbraw/zinc/79/40/19/941794019.db2.gz NLZKBYWPIXLCPP-CYBMUJFWSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224796189 941794020 /nfs/dbraw/zinc/79/40/20/941794020.db2.gz NLZKBYWPIXLCPP-CYBMUJFWSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001229038133 942410707 /nfs/dbraw/zinc/41/07/07/942410707.db2.gz PTVSFASHBNEZLT-BPLDGKMQSA-N 2 2 290.411 1.791 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001229038133 942410709 /nfs/dbraw/zinc/41/07/09/942410709.db2.gz PTVSFASHBNEZLT-BPLDGKMQSA-N 2 2 290.411 1.791 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229559163 942491307 /nfs/dbraw/zinc/49/13/07/942491307.db2.gz PPSFVFSURHSTIQ-ZDUSSCGKSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001229559163 942491314 /nfs/dbraw/zinc/49/13/14/942491314.db2.gz PPSFVFSURHSTIQ-ZDUSSCGKSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001316608238 942529074 /nfs/dbraw/zinc/52/90/74/942529074.db2.gz XQKTWMXDNACWOM-CQSZACIVSA-N 2 2 290.411 1.760 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001316608238 942529079 /nfs/dbraw/zinc/52/90/79/942529079.db2.gz XQKTWMXDNACWOM-CQSZACIVSA-N 2 2 290.411 1.760 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229939462 942554498 /nfs/dbraw/zinc/55/44/98/942554498.db2.gz BAWWCXFESOWOFB-ZIAGYGMSSA-N 2 2 290.411 1.854 20 30 CDEDLP C[NH+]1CCN(C2CC[NH+](Cc3cc(C#N)ccn3)CC2)CC1 ZINC001232481024 943294760 /nfs/dbraw/zinc/29/47/60/943294760.db2.gz QPDWQWNCEDZNTP-UHFFFAOYSA-N 2 2 299.422 1.165 20 30 CDEDLP N#CCOc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC001649928265 1169506202 /nfs/dbraw/zinc/50/62/02/1169506202.db2.gz AWDXHAWAGPBGTM-HNNXBMFYSA-N 2 2 289.379 1.135 20 30 CDEDLP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001235632087 944227359 /nfs/dbraw/zinc/22/73/59/944227359.db2.gz IRCSVTUKGXBNIB-SUMWQHHRSA-N 2 2 298.390 1.334 20 30 CDEDLP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001235632087 944227362 /nfs/dbraw/zinc/22/73/62/944227362.db2.gz IRCSVTUKGXBNIB-SUMWQHHRSA-N 2 2 298.390 1.334 20 30 CDEDLP C=CCCCCCC[N@H+]1C[C@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235768420 944272281 /nfs/dbraw/zinc/27/22/81/944272281.db2.gz CSBUQYWKOAOFFH-UONOGXRCSA-N 2 2 268.401 1.945 20 30 CDEDLP C=CCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235768420 944272290 /nfs/dbraw/zinc/27/22/90/944272290.db2.gz CSBUQYWKOAOFFH-UONOGXRCSA-N 2 2 268.401 1.945 20 30 CDEDLP C#CC(C)(C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943534 951710815 /nfs/dbraw/zinc/71/08/15/951710815.db2.gz LLSLZHXPWZSXOG-KRWDZBQOSA-N 2 2 272.392 1.625 20 30 CDEDLP C#CC(C)(C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943534 951710822 /nfs/dbraw/zinc/71/08/22/951710822.db2.gz LLSLZHXPWZSXOG-KRWDZBQOSA-N 2 2 272.392 1.625 20 30 CDEDLP C=C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001253606711 951992853 /nfs/dbraw/zinc/99/28/53/951992853.db2.gz NHLCQRGZWXWRNR-HNNXBMFYSA-N 2 2 276.380 1.493 20 30 CDEDLP C=C[C@@H](COC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001329941204 956191660 /nfs/dbraw/zinc/19/16/60/956191660.db2.gz NTSVEQPWNYNWMM-JSGCOSHPSA-N 2 2 254.374 1.030 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNc1ccc(C)c[nH+]1 ZINC001334008917 958759491 /nfs/dbraw/zinc/75/94/91/958759491.db2.gz CDRWWZYCNMYFEW-AWEZNQCLSA-N 2 2 286.379 1.016 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNc1ccc(C)c[nH+]1 ZINC001334008917 958759506 /nfs/dbraw/zinc/75/95/06/958759506.db2.gz CDRWWZYCNMYFEW-AWEZNQCLSA-N 2 2 286.379 1.016 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391384 968210389 /nfs/dbraw/zinc/21/03/89/968210389.db2.gz JIQGNCVEDPZXCU-UHFFFAOYSA-N 2 2 276.384 1.403 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391384 968210392 /nfs/dbraw/zinc/21/03/92/968210392.db2.gz JIQGNCVEDPZXCU-UHFFFAOYSA-N 2 2 276.384 1.403 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001376413010 974654516 /nfs/dbraw/zinc/65/45/16/974654516.db2.gz PVFOKOYJCJPDNV-HAQNSBGRSA-N 2 2 296.802 1.342 20 30 CDEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001379567648 975929304 /nfs/dbraw/zinc/92/93/04/975929304.db2.gz WJHAXQXFOWWVNQ-LBPRGKRZSA-N 2 2 297.362 1.118 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635531602 361773224 /nfs/dbraw/zinc/77/32/24/361773224.db2.gz UVJBGUOQJQBYEX-ZIAGYGMSSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635531602 361773232 /nfs/dbraw/zinc/77/32/32/361773232.db2.gz UVJBGUOQJQBYEX-ZIAGYGMSSA-N 2 2 288.395 1.670 20 30 CDEDLP Cc1cc(N2CCC([NH2+]C3CC3)CC2)c(C#N)c[nH+]1 ZINC000591821608 342647672 /nfs/dbraw/zinc/64/76/72/342647672.db2.gz YFEHNIMUAHJZNR-UHFFFAOYSA-N 2 2 256.353 1.983 20 30 CDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000595415359 343048555 /nfs/dbraw/zinc/04/85/55/343048555.db2.gz PJSGWKOQXFIAOY-XJKSGUPXSA-N 2 2 275.396 1.910 20 30 CDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000595415359 343048557 /nfs/dbraw/zinc/04/85/57/343048557.db2.gz PJSGWKOQXFIAOY-XJKSGUPXSA-N 2 2 275.396 1.910 20 30 CDEDLP C[NH+](C)C1CC[NH+](CCNc2cnccc2C#N)CC1 ZINC000091733238 342407051 /nfs/dbraw/zinc/40/70/51/342407051.db2.gz YGSVXOHBVDYQRC-UHFFFAOYSA-N 2 2 273.384 1.391 20 30 CDEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc(C#N)n1 ZINC000598894877 343920984 /nfs/dbraw/zinc/92/09/84/343920984.db2.gz GQBUAQPLFNRZOZ-UHFFFAOYSA-N 2 2 252.321 1.989 20 30 CDEDLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000599091495 343952306 /nfs/dbraw/zinc/95/23/06/343952306.db2.gz ANNPACARTPTVFB-WFASDCNBSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000599091495 343952308 /nfs/dbraw/zinc/95/23/08/343952308.db2.gz ANNPACARTPTVFB-WFASDCNBSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@@H]1Cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CCC#N)c2C[C@H]1C ZINC000414128741 362921131 /nfs/dbraw/zinc/92/11/31/362921131.db2.gz SMVGURZCKCICQZ-MCIONIFRSA-N 2 2 290.411 1.460 20 30 CDEDLP C[C@@H]1Cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CCC#N)c2C[C@H]1C ZINC000414128741 362921134 /nfs/dbraw/zinc/92/11/34/362921134.db2.gz SMVGURZCKCICQZ-MCIONIFRSA-N 2 2 290.411 1.460 20 30 CDEDLP CC[NH+]1CCC([N@H+](C)Cc2cccc(C#N)n2)CC1 ZINC000602433813 350109781 /nfs/dbraw/zinc/10/97/81/350109781.db2.gz CWTPLAAFPOURME-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C#N)n2)CC1 ZINC000602433813 350109782 /nfs/dbraw/zinc/10/97/82/350109782.db2.gz CWTPLAAFPOURME-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP C=CCc1cc(C[N@H+](CC)CC[NH3+])cc(OC)c1O ZINC000629651826 363256534 /nfs/dbraw/zinc/25/65/34/363256534.db2.gz ZQVJKCAPYXKJJS-UHFFFAOYSA-N 2 2 264.369 1.910 20 30 CDEDLP C=CCc1cc(C[N@@H+](CC)CC[NH3+])cc(OC)c1O ZINC000629651826 363256535 /nfs/dbraw/zinc/25/65/35/363256535.db2.gz ZQVJKCAPYXKJJS-UHFFFAOYSA-N 2 2 264.369 1.910 20 30 CDEDLP C[N@H+](CCOCc1ccc(C#N)cc1)CCn1cc[nH+]c1 ZINC000344126900 356909750 /nfs/dbraw/zinc/90/97/50/356909750.db2.gz YELZUDOAFPRMBH-UHFFFAOYSA-N 2 2 284.363 1.903 20 30 CDEDLP C[N@@H+](CCOCc1ccc(C#N)cc1)CCn1cc[nH+]c1 ZINC000344126900 356909754 /nfs/dbraw/zinc/90/97/54/356909754.db2.gz YELZUDOAFPRMBH-UHFFFAOYSA-N 2 2 284.363 1.903 20 30 CDEDLP N#CCN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000072516214 357840447 /nfs/dbraw/zinc/84/04/47/357840447.db2.gz SOXUBGPTRNOWFT-UHFFFAOYSA-N 2 2 281.363 1.513 20 30 CDEDLP C=CC[N@H+](Cc1ccccc1F)C[C@@](C)(O)C[NH2+]C ZINC000566351472 370690833 /nfs/dbraw/zinc/69/08/33/370690833.db2.gz KPFVGGCNSVSHBE-HNNXBMFYSA-N 2 2 266.360 1.784 20 30 CDEDLP C=CC[N@@H+](Cc1ccccc1F)C[C@@](C)(O)C[NH2+]C ZINC000566351472 370690836 /nfs/dbraw/zinc/69/08/36/370690836.db2.gz KPFVGGCNSVSHBE-HNNXBMFYSA-N 2 2 266.360 1.784 20 30 CDEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000581980125 364056721 /nfs/dbraw/zinc/05/67/21/364056721.db2.gz MOMWZLUGUMKPSV-CQSZACIVSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000581980125 364056725 /nfs/dbraw/zinc/05/67/25/364056725.db2.gz MOMWZLUGUMKPSV-CQSZACIVSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000581980125 364056728 /nfs/dbraw/zinc/05/67/28/364056728.db2.gz MOMWZLUGUMKPSV-CQSZACIVSA-N 2 2 258.369 1.727 20 30 CDEDLP 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1.223 20 30 CDEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027609747 828035129 /nfs/dbraw/zinc/03/51/29/828035129.db2.gz FFNQEGQSNRJPID-ZFWWWQNUSA-N 2 2 288.395 1.144 20 30 CDEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027609747 828035143 /nfs/dbraw/zinc/03/51/43/828035143.db2.gz FFNQEGQSNRJPID-ZFWWWQNUSA-N 2 2 288.395 1.144 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088405415 907116663 /nfs/dbraw/zinc/11/66/63/907116663.db2.gz XASYMAMLIGBYHK-AWEZNQCLSA-N 2 2 290.411 1.889 20 30 CDEDLP C#Cc1cc(Nc2ccc(N3CC[NH2+]CC3)cc2)cc[nH+]1 ZINC001213258016 908257754 /nfs/dbraw/zinc/25/77/54/908257754.db2.gz NKVLZZSUPSNPKZ-UHFFFAOYSA-N 2 2 278.359 1.638 20 30 CDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001172294834 911593850 /nfs/dbraw/zinc/59/38/50/911593850.db2.gz NMPIULCFKPHTKM-IUODEOHRSA-N 2 2 259.353 1.149 20 30 CDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001172294834 911593861 /nfs/dbraw/zinc/59/38/61/911593861.db2.gz NMPIULCFKPHTKM-IUODEOHRSA-N 2 2 259.353 1.149 20 30 CDEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875043 921692530 /nfs/dbraw/zinc/69/25/30/921692530.db2.gz SKGRFHLASRIVBE-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875043 921692536 /nfs/dbraw/zinc/69/25/36/921692536.db2.gz SKGRFHLASRIVBE-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206185903 912132143 /nfs/dbraw/zinc/13/21/43/912132143.db2.gz PDQWIRIIFQKXCL-NWDGAFQWSA-N 2 2 253.346 1.881 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206185903 912132155 /nfs/dbraw/zinc/13/21/55/912132155.db2.gz PDQWIRIIFQKXCL-NWDGAFQWSA-N 2 2 253.346 1.881 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001254647425 936432782 /nfs/dbraw/zinc/43/27/82/936432782.db2.gz CQJMRQALRRHURE-RDBSUJKOSA-N 2 2 263.385 1.522 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001254647425 936432785 /nfs/dbraw/zinc/43/27/85/936432785.db2.gz CQJMRQALRRHURE-RDBSUJKOSA-N 2 2 263.385 1.522 20 30 CDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185380745 919563648 /nfs/dbraw/zinc/56/36/48/919563648.db2.gz MPHUNGJPBHMBJN-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)nc3)CC2)CC1 ZINC001140544140 936722677 /nfs/dbraw/zinc/72/26/77/936722677.db2.gz ZMAMXOFGSACPET-UHFFFAOYSA-N 2 2 299.422 1.165 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001409986614 922625119 /nfs/dbraw/zinc/62/51/19/922625119.db2.gz YOJOWEXALBVUDB-NSHDSACASA-N 2 2 296.802 1.381 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1Cl ZINC001205681659 924403029 /nfs/dbraw/zinc/40/30/29/924403029.db2.gz LQNRFGYSGWMXTR-OAHLLOKOSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1Cl ZINC001205681659 924403033 /nfs/dbraw/zinc/40/30/33/924403033.db2.gz LQNRFGYSGWMXTR-OAHLLOKOSA-N 2 2 293.798 1.887 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001079697117 924408205 /nfs/dbraw/zinc/40/82/05/924408205.db2.gz UYTXMGRTPHYJEO-IUODEOHRSA-N 2 2 298.390 1.879 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001079697117 924408209 /nfs/dbraw/zinc/40/82/09/924408209.db2.gz UYTXMGRTPHYJEO-IUODEOHRSA-N 2 2 298.390 1.879 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789436 936937118 /nfs/dbraw/zinc/93/71/18/936937118.db2.gz ASTZVACNKCUBHG-IYXRBSQSSA-N 2 2 290.411 1.791 20 30 CDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100872963 936942388 /nfs/dbraw/zinc/94/23/88/936942388.db2.gz PQVUZGGYXSPNOV-UHFFFAOYSA-N 2 2 296.802 1.200 20 30 CDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100918288 936945271 /nfs/dbraw/zinc/94/52/71/936945271.db2.gz MXVXTDPAGPWTFQ-UHFFFAOYSA-N 2 2 290.411 1.711 20 30 CDEDLP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230591513 925505725 /nfs/dbraw/zinc/50/57/25/925505725.db2.gz ALMDJMGDFNUKGH-HNNXBMFYSA-N 2 2 292.427 1.165 20 30 CDEDLP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230591513 925505733 /nfs/dbraw/zinc/50/57/33/925505733.db2.gz ALMDJMGDFNUKGH-HNNXBMFYSA-N 2 2 292.427 1.165 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085628796 926229395 /nfs/dbraw/zinc/22/93/95/926229395.db2.gz FZWDKEGMEYJMJL-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085628796 926229402 /nfs/dbraw/zinc/22/94/02/926229402.db2.gz FZWDKEGMEYJMJL-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001085628796 926229408 /nfs/dbraw/zinc/22/94/08/926229408.db2.gz FZWDKEGMEYJMJL-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001085628796 926229415 /nfs/dbraw/zinc/22/94/15/926229415.db2.gz FZWDKEGMEYJMJL-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086111560 926714505 /nfs/dbraw/zinc/71/45/05/926714505.db2.gz QEDIXBXGJYRDJE-XJFOESAGSA-N 2 2 288.395 1.574 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086111560 926714514 /nfs/dbraw/zinc/71/45/14/926714514.db2.gz QEDIXBXGJYRDJE-XJFOESAGSA-N 2 2 288.395 1.574 20 30 CDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520708 926889728 /nfs/dbraw/zinc/88/97/28/926889728.db2.gz ABGBAUJEDZNYTQ-LSDHHAIUSA-N 2 2 290.411 1.684 20 30 CDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520708 926889747 /nfs/dbraw/zinc/88/97/47/926889747.db2.gz ABGBAUJEDZNYTQ-LSDHHAIUSA-N 2 2 290.411 1.684 20 30 CDEDLP C=C[C@](C)(O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001252556050 929212420 /nfs/dbraw/zinc/21/24/20/929212420.db2.gz DDKNFSMTPZVERR-ZFWWWQNUSA-N 2 2 262.353 1.780 20 30 CDEDLP C=C[C@](C)(O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001252556050 929212432 /nfs/dbraw/zinc/21/24/32/929212432.db2.gz DDKNFSMTPZVERR-ZFWWWQNUSA-N 2 2 262.353 1.780 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080006 930042173 /nfs/dbraw/zinc/04/21/73/930042173.db2.gz IXOGVKILPQWRFU-OLZOCXBDSA-N 2 2 278.400 1.649 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080006 930042177 /nfs/dbraw/zinc/04/21/77/930042177.db2.gz IXOGVKILPQWRFU-OLZOCXBDSA-N 2 2 278.400 1.649 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135132777 930068247 /nfs/dbraw/zinc/06/82/47/930068247.db2.gz UHMWLDUNMVBYKZ-KBPBESRZSA-N 2 2 278.400 1.722 20 30 CDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115424 937420517 /nfs/dbraw/zinc/42/05/17/937420517.db2.gz XZXQOGWLQGMVQQ-CYBMUJFWSA-N 2 2 276.384 1.192 20 30 CDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115424 937420519 /nfs/dbraw/zinc/42/05/19/937420519.db2.gz XZXQOGWLQGMVQQ-CYBMUJFWSA-N 2 2 276.384 1.192 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154093422 937502468 /nfs/dbraw/zinc/50/24/68/937502468.db2.gz ZSRQWQIWNNYEMC-ZIAGYGMSSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154093422 937502470 /nfs/dbraw/zinc/50/24/70/937502470.db2.gz ZSRQWQIWNNYEMC-ZIAGYGMSSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146474786 932258511 /nfs/dbraw/zinc/25/85/11/932258511.db2.gz ZXYJBGDNLVTWRI-UHFFFAOYSA-N 2 2 284.363 1.768 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147615365 932569573 /nfs/dbraw/zinc/56/95/73/932569573.db2.gz SDAFIHNRCQJLOE-UHFFFAOYSA-N 2 2 285.351 1.163 20 30 CDEDLP N#C[C@H]1CCCCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160636979 938805692 /nfs/dbraw/zinc/80/56/92/938805692.db2.gz MIVBONYEIBSBRA-KGLIPLIRSA-N 2 2 272.352 1.163 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205433279 939890400 /nfs/dbraw/zinc/89/04/00/939890400.db2.gz RXUBYXCIKWXEEI-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205433279 939890403 /nfs/dbraw/zinc/89/04/03/939890403.db2.gz RXUBYXCIKWXEEI-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP C=CCN(CC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1)C(=O)OCC ZINC001206154308 939987720 /nfs/dbraw/zinc/98/77/20/939987720.db2.gz IUPPMZWDZZIDNG-OLZOCXBDSA-N 2 2 287.379 1.392 20 30 CDEDLP C=CCN(CC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1)C(=O)OCC ZINC001206154308 939987723 /nfs/dbraw/zinc/98/77/23/939987723.db2.gz IUPPMZWDZZIDNG-OLZOCXBDSA-N 2 2 287.379 1.392 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208615590 940355934 /nfs/dbraw/zinc/35/59/34/940355934.db2.gz VBKKCCLBUPHCEK-ZDUSSCGKSA-N 2 2 279.384 1.107 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615590 940355935 /nfs/dbraw/zinc/35/59/35/940355935.db2.gz VBKKCCLBUPHCEK-ZDUSSCGKSA-N 2 2 279.384 1.107 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246772108 948432744 /nfs/dbraw/zinc/43/27/44/948432744.db2.gz YHVDCWLAOAMMHU-LTIDMASMSA-N 2 2 294.439 1.953 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246772108 948432747 /nfs/dbraw/zinc/43/27/47/948432747.db2.gz YHVDCWLAOAMMHU-LTIDMASMSA-N 2 2 294.439 1.953 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001367837376 958417836 /nfs/dbraw/zinc/41/78/36/958417836.db2.gz QQSZDWGCJLUTIR-RYUDHWBXSA-N 2 2 275.824 1.516 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001367837376 958417840 /nfs/dbraw/zinc/41/78/40/958417840.db2.gz QQSZDWGCJLUTIR-RYUDHWBXSA-N 2 2 275.824 1.516 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001346262396 965019045 /nfs/dbraw/zinc/01/90/45/965019045.db2.gz CCXGOKNZWPKXNR-CQSZACIVSA-N 2 2 277.412 1.123 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001346262396 965019053 /nfs/dbraw/zinc/01/90/53/965019053.db2.gz CCXGOKNZWPKXNR-CQSZACIVSA-N 2 2 277.412 1.123 20 30 CDEDLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001418286665 973730232 /nfs/dbraw/zinc/73/02/32/973730232.db2.gz SJYLGNOYUWQWJA-GFCCVEGCSA-N 2 2 297.362 1.118 20 30 CDEDLP C=CCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132533585 1163356594 /nfs/dbraw/zinc/35/65/94/1163356594.db2.gz PACQXUNDIZSMBX-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132533585 1163356600 /nfs/dbraw/zinc/35/66/00/1163356600.db2.gz PACQXUNDIZSMBX-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132874083 1163498188 /nfs/dbraw/zinc/49/81/88/1163498188.db2.gz DKRJRRKXUPTHFS-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132874083 1163498184 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CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598728648 343887377 /nfs/dbraw/zinc/88/73/77/343887377.db2.gz DZLRHUUGNUQMPW-CHWSQXEVSA-N 2 2 253.390 1.361 20 30 CDEDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598728648 343887379 /nfs/dbraw/zinc/88/73/79/343887379.db2.gz DZLRHUUGNUQMPW-CHWSQXEVSA-N 2 2 253.390 1.361 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000263245739 362382715 /nfs/dbraw/zinc/38/27/15/362382715.db2.gz MUFLFUJEFCAYBA-UHFFFAOYSA-N 2 2 257.341 1.357 20 30 CDEDLP C[N@H+](CCCC(C)(C)C#N)CC(=O)N1CC[NH+](C)CC1 ZINC000602989288 344681604 /nfs/dbraw/zinc/68/16/04/344681604.db2.gz JZQFLTBNKUWIDT-UHFFFAOYSA-N 2 2 280.416 1.022 20 30 CDEDLP C[N@@H+](CCCC(C)(C)C#N)CC(=O)N1CC[NH+](C)CC1 ZINC000602989288 344681606 /nfs/dbraw/zinc/68/16/06/344681606.db2.gz JZQFLTBNKUWIDT-UHFFFAOYSA-N 2 2 280.416 1.022 20 30 CDEDLP N#Cc1cccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000584783683 346432612 /nfs/dbraw/zinc/43/26/12/346432612.db2.gz HLSRCSRSXZXMSP-UHFFFAOYSA-N 2 2 299.418 1.885 20 30 CDEDLP C=CCCCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644623921 366275783 /nfs/dbraw/zinc/27/57/83/366275783.db2.gz HGDZHZLUUIUCNY-ZNMIVQPWSA-N 2 2 270.417 1.402 20 30 CDEDLP C=CCCCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644623921 366275787 /nfs/dbraw/zinc/27/57/87/366275787.db2.gz HGDZHZLUUIUCNY-ZNMIVQPWSA-N 2 2 270.417 1.402 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337278123 360060363 /nfs/dbraw/zinc/06/03/63/360060363.db2.gz SIDKBGNIXREZCB-HNNXBMFYSA-N 2 2 294.443 1.412 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278123 360060365 /nfs/dbraw/zinc/06/03/65/360060365.db2.gz SIDKBGNIXREZCB-HNNXBMFYSA-N 2 2 294.443 1.412 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000580419503 363906009 /nfs/dbraw/zinc/90/60/09/363906009.db2.gz OJYLEGABJQFEHB-CYBMUJFWSA-N 2 2 270.311 1.998 20 30 CDEDLP N#C[C@H](c1ccccc1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000161960869 364562481 /nfs/dbraw/zinc/56/24/81/364562481.db2.gz YEWMPFQKANHWOY-QGZVFWFLSA-N 2 2 295.390 1.766 20 30 CDEDLP CC(C)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCOCC1 ZINC000122467555 370814514 /nfs/dbraw/zinc/81/45/14/370814514.db2.gz ZKZXCTCJLWOJKP-OAHLLOKOSA-N 2 2 296.459 1.390 20 30 CDEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000120460423 370401822 /nfs/dbraw/zinc/40/18/22/370401822.db2.gz MILXSQMHWNYSHC-UHFFFAOYSA-N 2 2 287.407 1.449 20 30 CDEDLP C=CC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000120460423 370401828 /nfs/dbraw/zinc/40/18/28/370401828.db2.gz MILXSQMHWNYSHC-UHFFFAOYSA-N 2 2 287.407 1.449 20 30 CDEDLP C#CCOc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000172112223 372238708 /nfs/dbraw/zinc/23/87/08/372238708.db2.gz CKVJPDHLXPJKRD-UHFFFAOYSA-N 2 2 258.365 1.884 20 30 CDEDLP Cc1ccc(CCC[NH2+]CCn2cnc(C#N)n2)c[nH+]1 ZINC000348868560 373716307 /nfs/dbraw/zinc/71/63/07/373716307.db2.gz KUAVBWNVNXRZLR-UHFFFAOYSA-N 2 2 270.340 1.076 20 30 CDEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC#N)CC2)CC1 ZINC000066568266 376665752 /nfs/dbraw/zinc/66/57/52/376665752.db2.gz OSCSGKBDVMCRDL-UHFFFAOYSA-N 2 2 292.427 1.166 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000247377481 377105940 /nfs/dbraw/zinc/10/59/40/377105940.db2.gz KXVFHAVQOIFWHG-HOCLYGCPSA-N 2 2 282.428 1.499 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000247377481 377105950 /nfs/dbraw/zinc/10/59/50/377105950.db2.gz KXVFHAVQOIFWHG-HOCLYGCPSA-N 2 2 282.428 1.499 20 30 CDEDLP C=C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000289846756 378349890 /nfs/dbraw/zinc/34/98/90/378349890.db2.gz QGOXKNOEYAEQNB-ZDUSSCGKSA-N 2 2 261.369 1.183 20 30 CDEDLP CC#CCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155678610 390919778 /nfs/dbraw/zinc/91/97/78/390919778.db2.gz ALPYKZSINKCSAS-HNNXBMFYSA-N 2 2 250.386 1.444 20 30 CDEDLP CC#CCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155678610 390919779 /nfs/dbraw/zinc/91/97/79/390919779.db2.gz ALPYKZSINKCSAS-HNNXBMFYSA-N 2 2 250.386 1.444 20 30 CDEDLP NC(=[NH+]OCCCO)c1cccc(C[NH+]2CCCCC2)c1 ZINC000270681628 391278662 /nfs/dbraw/zinc/27/86/62/391278662.db2.gz COVVBDUNCYXJOW-UHFFFAOYSA-N 2 2 291.395 1.692 20 30 CDEDLP C=CC[N@@H+](C)CCN(CC)CC[NH+]1CCOC[C@H]1C ZINC000411652673 391495040 /nfs/dbraw/zinc/49/50/40/391495040.db2.gz XLRVPRKBASINKW-OAHLLOKOSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)CC[NH+]1CCOC[C@H]1C ZINC000411652673 391495042 /nfs/dbraw/zinc/49/50/42/391495042.db2.gz XLRVPRKBASINKW-OAHLLOKOSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[NH+](C)CCN(CC)CC[N@@H+]1CCOC[C@H]1C ZINC000411652673 391495044 /nfs/dbraw/zinc/49/50/44/391495044.db2.gz XLRVPRKBASINKW-OAHLLOKOSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[NH+](C)CCN(CC)CC[N@H+]1CCOC[C@H]1C ZINC000411652673 391495046 /nfs/dbraw/zinc/49/50/46/391495046.db2.gz XLRVPRKBASINKW-OAHLLOKOSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246330770 131094110 /nfs/dbraw/zinc/09/41/10/131094110.db2.gz GSWHVENAVCVYRH-CABCVRRESA-N 2 2 279.428 1.459 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246330770 131094111 /nfs/dbraw/zinc/09/41/11/131094111.db2.gz GSWHVENAVCVYRH-CABCVRRESA-N 2 2 279.428 1.459 20 30 CDEDLP C#CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373356046 397675282 /nfs/dbraw/zinc/67/52/82/397675282.db2.gz YWKMQQDICHMKCK-AWEZNQCLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373356046 397675287 /nfs/dbraw/zinc/67/52/87/397675287.db2.gz YWKMQQDICHMKCK-AWEZNQCLSA-N 2 2 291.439 1.321 20 30 CDEDLP CCNC(NCc1ccccc1-n1cc[nH+]c1)=[NH+]CC ZINC000161544571 261250660 /nfs/dbraw/zinc/25/06/60/261250660.db2.gz YQIOOMMNQUCJEP-UHFFFAOYSA-N 2 2 271.368 1.947 20 30 CDEDLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])N(C)C)[NH+](C)C)cc1 ZINC000287182304 263101274 /nfs/dbraw/zinc/10/12/74/263101274.db2.gz KEKQXWXDDODGKV-HNNXBMFYSA-N 2 2 292.427 1.953 20 30 CDEDLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000521063107 267051896 /nfs/dbraw/zinc/05/18/96/267051896.db2.gz JSZJAWYKXGAJBK-OAHLLOKOSA-N 2 2 273.380 1.450 20 30 CDEDLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000521063107 267051899 /nfs/dbraw/zinc/05/18/99/267051899.db2.gz JSZJAWYKXGAJBK-OAHLLOKOSA-N 2 2 273.380 1.450 20 30 CDEDLP C=CCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275915 267230487 /nfs/dbraw/zinc/23/04/87/267230487.db2.gz DIUWWEULZPXGDJ-CYBMUJFWSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275915 267230491 /nfs/dbraw/zinc/23/04/91/267230491.db2.gz DIUWWEULZPXGDJ-CYBMUJFWSA-N 2 2 265.401 1.237 20 30 CDEDLP CC(C)(C#N)CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174875688 329164435 /nfs/dbraw/zinc/16/44/35/329164435.db2.gz OANYLQZROIPUJK-OAHLLOKOSA-N 2 2 279.428 1.970 20 30 CDEDLP CC(C)(C#N)CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174875688 329164436 /nfs/dbraw/zinc/16/44/36/329164436.db2.gz OANYLQZROIPUJK-OAHLLOKOSA-N 2 2 279.428 1.970 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]CCn1cc[nH+]c1 ZINC000041063333 327215006 /nfs/dbraw/zinc/21/50/06/327215006.db2.gz LCIHULFWDJRSHG-UHFFFAOYSA-N 2 2 255.321 1.685 20 30 CDEDLP CN(C)C(NCc1ccccc1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000262478775 330016306 /nfs/dbraw/zinc/01/63/06/330016306.db2.gz QYYUQSXYUORKDI-HNNXBMFYSA-N 2 2 297.406 1.905 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000424159426 330306187 /nfs/dbraw/zinc/30/61/87/330306187.db2.gz SRKJUHHMDGBSJS-ZDUSSCGKSA-N 2 2 289.383 1.411 20 30 CDEDLP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)C[NH+]1CCOCC1 ZINC000442796878 330784406 /nfs/dbraw/zinc/78/44/06/330784406.db2.gz WHOSMGWMUKFERO-RDBSUJKOSA-N 2 2 251.374 1.237 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000491770346 332337246 /nfs/dbraw/zinc/33/72/46/332337246.db2.gz MFDSKNQDLCQYRF-UHFFFAOYSA-N 2 2 296.374 1.557 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000491770346 332337248 /nfs/dbraw/zinc/33/72/48/332337248.db2.gz MFDSKNQDLCQYRF-UHFFFAOYSA-N 2 2 296.374 1.557 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000668369434 482397281 /nfs/dbraw/zinc/39/72/81/482397281.db2.gz XNNQRJIZYVEPJC-ZIAGYGMSSA-N 2 2 288.395 1.290 20 30 CDEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113724025 1162266900 /nfs/dbraw/zinc/26/69/00/1162266900.db2.gz CJDQDTKDDKWEOO-AWEZNQCLSA-N 2 2 276.384 1.382 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000333268914 526443586 /nfs/dbraw/zinc/44/35/86/526443586.db2.gz GXTDVADEAITNCQ-CYBMUJFWSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000730280155 574909360 /nfs/dbraw/zinc/90/93/60/574909360.db2.gz NKWNHIVZIWMUTM-HIFRSBDPSA-N 2 2 288.395 1.041 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000730280155 574909363 /nfs/dbraw/zinc/90/93/63/574909363.db2.gz NKWNHIVZIWMUTM-HIFRSBDPSA-N 2 2 288.395 1.041 20 30 CDEDLP 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/nfs/dbraw/zinc/63/46/79/833634679.db2.gz LRWFGWWILHZAIW-CYBMUJFWSA-N 2 2 296.802 1.477 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033665090 833634697 /nfs/dbraw/zinc/63/46/97/833634697.db2.gz LRWFGWWILHZAIW-CYBMUJFWSA-N 2 2 296.802 1.477 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001043052186 830711169 /nfs/dbraw/zinc/71/11/69/830711169.db2.gz MGSIORQHQMPGQG-UHFFFAOYSA-N 2 2 291.439 1.581 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000819347863 830712970 /nfs/dbraw/zinc/71/29/70/830712970.db2.gz AJNASOWLSXDKHE-INIZCTEOSA-N 2 2 288.391 1.243 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000819347863 830712992 /nfs/dbraw/zinc/71/29/92/830712992.db2.gz AJNASOWLSXDKHE-INIZCTEOSA-N 2 2 288.391 1.243 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749437 830737817 /nfs/dbraw/zinc/73/78/17/830737817.db2.gz CLWQLUWJSMWWAN-HUUCEWRRSA-N 2 2 288.395 1.594 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749437 830737825 /nfs/dbraw/zinc/73/78/25/830737825.db2.gz CLWQLUWJSMWWAN-HUUCEWRRSA-N 2 2 288.395 1.594 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)cc1OC ZINC000392807957 832077662 /nfs/dbraw/zinc/07/76/62/832077662.db2.gz SVMVLNVLQYZTCV-UHFFFAOYSA-N 2 2 276.380 1.749 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)cc1OC ZINC000392807957 832077667 /nfs/dbraw/zinc/07/76/67/832077667.db2.gz SVMVLNVLQYZTCV-UHFFFAOYSA-N 2 2 276.380 1.749 20 30 CDEDLP C[C@@H]1CC[N@H+](Cc2ccccc2)CC1N=NC1=[NH+]CCN1 ZINC000841661204 832222283 /nfs/dbraw/zinc/22/22/83/832222283.db2.gz NARPBLYWBSNPTM-CYBMUJFWSA-N 2 2 285.395 1.433 20 30 CDEDLP C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1N=NC1=[NH+]CCN1 ZINC000841661204 832222300 /nfs/dbraw/zinc/22/23/00/832222300.db2.gz NARPBLYWBSNPTM-CYBMUJFWSA-N 2 2 285.395 1.433 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052897695 832238242 /nfs/dbraw/zinc/23/82/42/832238242.db2.gz LCRHEWQIWYCEIN-AWEZNQCLSA-N 2 2 290.411 1.807 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052897695 832238252 /nfs/dbraw/zinc/23/82/52/832238252.db2.gz LCRHEWQIWYCEIN-AWEZNQCLSA-N 2 2 290.411 1.807 20 30 CDEDLP C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000923350736 833811689 /nfs/dbraw/zinc/81/16/89/833811689.db2.gz NOYIVSZANBTIGE-HRCADAONSA-N 2 2 260.381 1.740 20 30 CDEDLP C=CCC[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000923350736 833811690 /nfs/dbraw/zinc/81/16/90/833811690.db2.gz NOYIVSZANBTIGE-HRCADAONSA-N 2 2 260.381 1.740 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033210388 832372970 /nfs/dbraw/zinc/37/29/70/832372970.db2.gz GDLDQKXSKPYHGS-UONOGXRCSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033210388 832372980 /nfs/dbraw/zinc/37/29/80/832372980.db2.gz GDLDQKXSKPYHGS-UONOGXRCSA-N 2 2 288.395 1.164 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014992953 833864477 /nfs/dbraw/zinc/86/44/77/833864477.db2.gz ZVTYULRUXZMKCO-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014992953 833864478 /nfs/dbraw/zinc/86/44/78/833864478.db2.gz ZVTYULRUXZMKCO-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001017640602 832511708 /nfs/dbraw/zinc/51/17/08/832511708.db2.gz WBEXFFZPICDTFF-XHSDSOJGSA-N 2 2 291.439 1.271 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001038685640 832810325 /nfs/dbraw/zinc/81/03/25/832810325.db2.gz VNDJFDOMKBSDEG-OLZOCXBDSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001038685640 832810327 /nfs/dbraw/zinc/81/03/27/832810327.db2.gz VNDJFDOMKBSDEG-OLZOCXBDSA-N 2 2 288.395 1.596 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008982452 833549513 /nfs/dbraw/zinc/54/95/13/833549513.db2.gz TWYSOHZDJGHQMM-INIZCTEOSA-N 2 2 291.439 1.322 20 30 CDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008982452 833549531 /nfs/dbraw/zinc/54/95/31/833549531.db2.gz TWYSOHZDJGHQMM-INIZCTEOSA-N 2 2 291.439 1.322 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001044034371 833839261 /nfs/dbraw/zinc/83/92/61/833839261.db2.gz MQSHEYRAQXPAIO-GDBMZVCRSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001044034371 833839262 /nfs/dbraw/zinc/83/92/62/833839262.db2.gz MQSHEYRAQXPAIO-GDBMZVCRSA-N 2 2 289.423 1.169 20 30 CDEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016850147 834346040 /nfs/dbraw/zinc/34/60/40/834346040.db2.gz GRUDHNTVGOSBKN-CQSZACIVSA-N 2 2 288.395 1.499 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038464263 834769162 /nfs/dbraw/zinc/76/91/62/834769162.db2.gz CJPMEYQPDCOCRE-AWEZNQCLSA-N 2 2 282.347 1.162 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038464263 834769178 /nfs/dbraw/zinc/76/91/78/834769178.db2.gz CJPMEYQPDCOCRE-AWEZNQCLSA-N 2 2 282.347 1.162 20 30 CDEDLP CCC(CC)[C@H](CNC(=[NH2+])NC(C)C)[NH+]1CCOCC1 ZINC000303768281 834842844 /nfs/dbraw/zinc/84/28/44/834842844.db2.gz AFLKHYOPNCYJOS-AWEZNQCLSA-N 2 2 284.448 1.436 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015691456 834897417 /nfs/dbraw/zinc/89/74/17/834897417.db2.gz VAOYCNMKQLQBTA-CHWSQXEVSA-N 2 2 288.395 1.596 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015691456 834897421 /nfs/dbraw/zinc/89/74/21/834897421.db2.gz VAOYCNMKQLQBTA-CHWSQXEVSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001044822812 835078047 /nfs/dbraw/zinc/07/80/47/835078047.db2.gz KJXWRLXFCGWFAT-STQMWFEESA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000996729887 835311037 /nfs/dbraw/zinc/31/10/37/835311037.db2.gz OSVSZZNTRJXIJG-UHFFFAOYSA-N 2 2 284.363 1.943 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994405939 835431492 /nfs/dbraw/zinc/43/14/92/835431492.db2.gz JFNDBNOGANYALG-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994405939 835431505 /nfs/dbraw/zinc/43/15/05/835431505.db2.gz JFNDBNOGANYALG-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881675 913821749 /nfs/dbraw/zinc/82/17/49/913821749.db2.gz TXXVUKNZDBBAND-LBPRGKRZSA-N 2 2 264.373 1.403 20 30 CDEDLP C=CCCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209202194 894538107 /nfs/dbraw/zinc/53/81/07/894538107.db2.gz BVHKFEHJGQPZLN-UHFFFAOYSA-N 2 2 281.444 1.293 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001480873958 894876623 /nfs/dbraw/zinc/87/66/23/894876623.db2.gz PKYCJWKMPKPWHW-UHFFFAOYSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001480873958 894876632 /nfs/dbraw/zinc/87/66/32/894876632.db2.gz PKYCJWKMPKPWHW-UHFFFAOYSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001480873958 894876648 /nfs/dbraw/zinc/87/66/48/894876648.db2.gz PKYCJWKMPKPWHW-UHFFFAOYSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001480873958 894876666 /nfs/dbraw/zinc/87/66/66/894876666.db2.gz PKYCJWKMPKPWHW-UHFFFAOYSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167432176 895664930 /nfs/dbraw/zinc/66/49/30/895664930.db2.gz IJOGMYQFERAYDL-GFCCVEGCSA-N 2 2 284.791 1.683 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167976315 904894538 /nfs/dbraw/zinc/89/45/38/904894538.db2.gz AFQNNBJVKYBNMJ-GFCCVEGCSA-N 2 2 264.373 1.260 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167976315 904894552 /nfs/dbraw/zinc/89/45/52/904894552.db2.gz AFQNNBJVKYBNMJ-GFCCVEGCSA-N 2 2 264.373 1.260 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC)[C@@H]1CC ZINC001087608021 905718699 /nfs/dbraw/zinc/71/86/99/905718699.db2.gz LBTHPLPARRSKAP-XHSDSOJGSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC)[C@@H]1CC ZINC001087608021 905718710 /nfs/dbraw/zinc/71/87/10/905718710.db2.gz LBTHPLPARRSKAP-XHSDSOJGSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC)[C@@H]1CC ZINC001087608021 905718715 /nfs/dbraw/zinc/71/87/15/905718715.db2.gz LBTHPLPARRSKAP-XHSDSOJGSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC)[C@@H]1CC ZINC001087608021 905718725 /nfs/dbraw/zinc/71/87/25/905718725.db2.gz LBTHPLPARRSKAP-XHSDSOJGSA-N 2 2 291.439 1.463 20 30 CDEDLP N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206185887 912132550 /nfs/dbraw/zinc/13/25/50/912132550.db2.gz OXGSGTWJPDPRFO-OLZOCXBDSA-N 2 2 263.316 1.525 20 30 CDEDLP N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206185887 912132563 /nfs/dbraw/zinc/13/25/63/912132563.db2.gz OXGSGTWJPDPRFO-OLZOCXBDSA-N 2 2 263.316 1.525 20 30 CDEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182741867 918116555 /nfs/dbraw/zinc/11/65/55/918116555.db2.gz WRERVKPVEKYURH-CZUORRHYSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001183582376 918553249 /nfs/dbraw/zinc/55/32/49/918553249.db2.gz WSTSXINEIMONGB-CQSZACIVSA-N 2 2 289.379 1.399 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185501978 919633684 /nfs/dbraw/zinc/63/36/84/919633684.db2.gz JYRIQYHJQBSRAB-ZIAGYGMSSA-N 2 2 290.411 1.223 20 30 CDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577583 923153153 /nfs/dbraw/zinc/15/31/53/923153153.db2.gz HLJMVVPHTWBLHU-GJZGRUSLSA-N 2 2 290.411 1.943 20 30 CDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577583 923153158 /nfs/dbraw/zinc/15/31/58/923153158.db2.gz HLJMVVPHTWBLHU-GJZGRUSLSA-N 2 2 290.411 1.943 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086392345 927068846 /nfs/dbraw/zinc/06/88/46/927068846.db2.gz JFJJLQULVKWIHI-FDYHWXHSSA-N 2 2 274.368 1.184 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086392345 927068865 /nfs/dbraw/zinc/06/88/65/927068865.db2.gz JFJJLQULVKWIHI-FDYHWXHSSA-N 2 2 274.368 1.184 20 30 CDEDLP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108785376 928631481 /nfs/dbraw/zinc/63/14/81/928631481.db2.gz CCOMLVVQHXNEJO-IHRRRGAJSA-N 2 2 288.395 1.497 20 30 CDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653272 928999281 /nfs/dbraw/zinc/99/92/81/928999281.db2.gz RFBVBXYDLCVXPK-RDBSUJKOSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653272 928999286 /nfs/dbraw/zinc/99/92/86/928999286.db2.gz RFBVBXYDLCVXPK-RDBSUJKOSA-N 2 2 299.846 1.802 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544742 929781312 /nfs/dbraw/zinc/78/13/12/929781312.db2.gz IGKKYXKEFZIGJZ-NEPJUHHUSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544742 929781320 /nfs/dbraw/zinc/78/13/20/929781320.db2.gz IGKKYXKEFZIGJZ-NEPJUHHUSA-N 2 2 264.373 1.401 20 30 CDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154314931 937529862 /nfs/dbraw/zinc/52/98/62/937529862.db2.gz JOZQXSBDNIBPKF-CYBMUJFWSA-N 2 2 284.363 1.408 20 30 CDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154314931 937529863 /nfs/dbraw/zinc/52/98/63/937529863.db2.gz JOZQXSBDNIBPKF-CYBMUJFWSA-N 2 2 284.363 1.408 20 30 CDEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146759415 932307596 /nfs/dbraw/zinc/30/75/96/932307596.db2.gz VZVODSABEDCSMO-KBPBESRZSA-N 2 2 278.400 1.722 20 30 CDEDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001120590786 937814763 /nfs/dbraw/zinc/81/47/63/937814763.db2.gz QALWIZQUQABONT-QWHCGFSZSA-N 2 2 253.390 1.219 20 30 CDEDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001120590786 937814764 /nfs/dbraw/zinc/81/47/64/937814764.db2.gz QALWIZQUQABONT-QWHCGFSZSA-N 2 2 253.390 1.219 20 30 CDEDLP C#C[C@](C)([NH3+])C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001157616745 938520849 /nfs/dbraw/zinc/52/08/49/938520849.db2.gz XFIIZJMGVBPMHS-VKJFTORMSA-N 2 2 299.418 1.458 20 30 CDEDLP C#C[C@](C)([NH3+])C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001157616745 938520853 /nfs/dbraw/zinc/52/08/53/938520853.db2.gz XFIIZJMGVBPMHS-VKJFTORMSA-N 2 2 299.418 1.458 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160820730 938829498 /nfs/dbraw/zinc/82/94/98/938829498.db2.gz SNDHGCVUMWGZQZ-UHFFFAOYSA-N 2 2 278.400 1.599 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161301897 938885764 /nfs/dbraw/zinc/88/57/64/938885764.db2.gz ZYRGKRLIVHJCBK-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ccc3c(C#N)c[nH]c3n1)CC[NH2+]CC2 ZINC001165354000 939550513 /nfs/dbraw/zinc/55/05/13/939550513.db2.gz XUPOYRDQLKGRAI-UHFFFAOYSA-N 2 2 292.346 1.617 20 30 CDEDLP C[C@H]1C[N@H+](Cc2cc(F)c(C#N)c(F)c2)C[C@H]1C[NH3+] ZINC001205140854 939827338 /nfs/dbraw/zinc/82/73/38/939827338.db2.gz PRRUAZWIPDVMAZ-GXSJLCMTSA-N 2 2 265.307 1.863 20 30 CDEDLP C[C@H]1C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C[C@H]1C[NH3+] ZINC001205140854 939827341 /nfs/dbraw/zinc/82/73/41/939827341.db2.gz PRRUAZWIPDVMAZ-GXSJLCMTSA-N 2 2 265.307 1.863 20 30 CDEDLP C#CCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001209263757 940454308 /nfs/dbraw/zinc/45/43/08/940454308.db2.gz PZXJQLOXGWZCKN-HZPDHXFCSA-N 2 2 269.392 1.859 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209350590 940463665 /nfs/dbraw/zinc/46/36/65/940463665.db2.gz CGJJXTJRBNRUPT-GZBFAFLISA-N 2 2 290.411 1.601 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209350590 940463666 /nfs/dbraw/zinc/46/36/66/940463666.db2.gz CGJJXTJRBNRUPT-GZBFAFLISA-N 2 2 290.411 1.601 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209350590 940463667 /nfs/dbraw/zinc/46/36/67/940463667.db2.gz CGJJXTJRBNRUPT-GZBFAFLISA-N 2 2 290.411 1.601 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209350590 940463668 /nfs/dbraw/zinc/46/36/68/940463668.db2.gz CGJJXTJRBNRUPT-GZBFAFLISA-N 2 2 290.411 1.601 20 30 CDEDLP N#Cc1ccc2c(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)c[nH]c2c1 ZINC001235990239 944353141 /nfs/dbraw/zinc/35/31/41/944353141.db2.gz MCEQROIFZQSIRX-BBRMVZONSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1ccc2c(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)c[nH]c2c1 ZINC001235990239 944353148 /nfs/dbraw/zinc/35/31/48/944353148.db2.gz MCEQROIFZQSIRX-BBRMVZONSA-N 2 2 266.348 1.963 20 30 CDEDLP C=CCC[C@H](C)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001258730901 945397625 /nfs/dbraw/zinc/39/76/25/945397625.db2.gz QBVFSWKPGJSYHY-INIZCTEOSA-N 2 2 281.444 1.291 20 30 CDEDLP CCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001245994415 947885667 /nfs/dbraw/zinc/88/56/67/947885667.db2.gz KLYAIRXIFAPEBT-ILXRZTDVSA-N 2 2 272.433 1.268 20 30 CDEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246720566 948417008 /nfs/dbraw/zinc/41/70/08/948417008.db2.gz ISYZSWZXXZXPDX-GVDBMIGSSA-N 2 2 294.439 1.812 20 30 CDEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246720566 948417013 /nfs/dbraw/zinc/41/70/13/948417013.db2.gz ISYZSWZXXZXPDX-GVDBMIGSSA-N 2 2 294.439 1.812 20 30 CDEDLP C=C[C@@](C)(O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252571313 951464888 /nfs/dbraw/zinc/46/48/88/951464888.db2.gz HQRXDEUKYSPSIO-OAHLLOKOSA-N 2 2 257.337 1.899 20 30 CDEDLP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001494793780 972308444 /nfs/dbraw/zinc/30/84/44/972308444.db2.gz OKRGTCUGXDUIJA-MRXNPFEDSA-N 2 2 287.407 1.495 20 30 CDEDLP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001494793780 972308450 /nfs/dbraw/zinc/30/84/50/972308450.db2.gz OKRGTCUGXDUIJA-MRXNPFEDSA-N 2 2 287.407 1.495 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494793780 972308457 /nfs/dbraw/zinc/30/84/57/972308457.db2.gz OKRGTCUGXDUIJA-MRXNPFEDSA-N 2 2 287.407 1.495 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494793780 972308462 /nfs/dbraw/zinc/30/84/62/972308462.db2.gz OKRGTCUGXDUIJA-MRXNPFEDSA-N 2 2 287.407 1.495 20 30 CDEDLP C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)Cn1cc[nH+]c1 ZINC001335940384 960111863 /nfs/dbraw/zinc/11/18/63/960111863.db2.gz CVSGXTCNVQOKQN-QWHCGFSZSA-N 2 2 264.373 1.410 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001324175346 961215900 /nfs/dbraw/zinc/21/59/00/961215900.db2.gz MOOBUHZZYASUDW-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001324175346 961215918 /nfs/dbraw/zinc/21/59/18/961215918.db2.gz MOOBUHZZYASUDW-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001437420173 962874182 /nfs/dbraw/zinc/87/41/82/962874182.db2.gz GQPCQPXBAKEPHC-SNVBAGLBSA-N 2 2 284.791 1.498 20 30 CDEDLP C=C(CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001350142823 966591662 /nfs/dbraw/zinc/59/16/62/966591662.db2.gz DCYOOPKHBAIXRR-UHFFFAOYSA-N 2 2 274.368 1.738 20 30 CDEDLP CC#CC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100716991 969006047 /nfs/dbraw/zinc/00/60/47/969006047.db2.gz ZDBMZPDXTMGKRY-WLYUNCDWSA-N 2 2 288.395 1.342 20 30 CDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC(C)(C)C#N ZINC001464871400 969828217 /nfs/dbraw/zinc/82/82/17/969828217.db2.gz OVFBKYXICMYNML-UHFFFAOYSA-N 2 2 294.443 1.411 20 30 CDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC(C)(C)C#N ZINC001464871400 969828221 /nfs/dbraw/zinc/82/82/21/969828221.db2.gz OVFBKYXICMYNML-UHFFFAOYSA-N 2 2 294.443 1.411 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001495677806 972590732 /nfs/dbraw/zinc/59/07/32/972590732.db2.gz RMWGMGZTIFBKNT-SNVBAGLBSA-N 2 2 284.791 1.437 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001495677806 972590740 /nfs/dbraw/zinc/59/07/40/972590740.db2.gz RMWGMGZTIFBKNT-SNVBAGLBSA-N 2 2 284.791 1.437 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001378119532 975249838 /nfs/dbraw/zinc/24/98/38/975249838.db2.gz ITNYZCGXVRCOSL-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001378119532 975249843 /nfs/dbraw/zinc/24/98/43/975249843.db2.gz ITNYZCGXVRCOSL-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001403273087 976847502 /nfs/dbraw/zinc/84/75/02/976847502.db2.gz OTHPYZYMAULYRB-LBPRGKRZSA-N 2 2 296.802 1.153 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001403273077 976848522 /nfs/dbraw/zinc/84/85/22/976848522.db2.gz OTHPYZYMAULYRB-GFCCVEGCSA-N 2 2 296.802 1.153 20 30 CDEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000438998080 361788667 /nfs/dbraw/zinc/78/86/67/361788667.db2.gz JXZHWQBMXZKTJN-HUUCEWRRSA-N 2 2 279.428 1.661 20 30 CDEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000438998080 361788670 /nfs/dbraw/zinc/78/86/70/361788670.db2.gz JXZHWQBMXZKTJN-HUUCEWRRSA-N 2 2 279.428 1.661 20 30 CDEDLP N#CC[C@@]1(O)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000592149674 342668630 /nfs/dbraw/zinc/66/86/30/342668630.db2.gz UEUPHAWFVFXRDB-MRXNPFEDSA-N 2 2 282.347 1.723 20 30 CDEDLP N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000592149674 342668631 /nfs/dbraw/zinc/66/86/31/342668631.db2.gz UEUPHAWFVFXRDB-MRXNPFEDSA-N 2 2 282.347 1.723 20 30 CDEDLP C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000592497830 342697375 /nfs/dbraw/zinc/69/73/75/342697375.db2.gz AGPQXKSOKTTXJQ-CYBMUJFWSA-N 2 2 298.394 1.375 20 30 CDEDLP C[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000592497830 342697377 /nfs/dbraw/zinc/69/73/77/342697377.db2.gz AGPQXKSOKTTXJQ-CYBMUJFWSA-N 2 2 298.394 1.375 20 30 CDEDLP C[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000592497830 342697379 /nfs/dbraw/zinc/69/73/79/342697379.db2.gz AGPQXKSOKTTXJQ-CYBMUJFWSA-N 2 2 298.394 1.375 20 30 CDEDLP C[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000592497830 342697381 /nfs/dbraw/zinc/69/73/81/342697381.db2.gz AGPQXKSOKTTXJQ-CYBMUJFWSA-N 2 2 298.394 1.375 20 30 CDEDLP CC(C)(C#N)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594605463 342925117 /nfs/dbraw/zinc/92/51/17/342925117.db2.gz BAEDXJJPSJOEDU-CYBMUJFWSA-N 2 2 251.374 1.379 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1Cl ZINC000600741500 349877603 /nfs/dbraw/zinc/87/76/03/349877603.db2.gz OMNVJEWYZDQMJR-CQSZACIVSA-N 2 2 293.798 1.758 20 30 CDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C[C@H](C)O1 ZINC000598701827 343889807 /nfs/dbraw/zinc/88/98/07/343889807.db2.gz ZDLKAARLZQBBHP-ZNMIVQPWSA-N 2 2 297.443 1.376 20 30 CDEDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C[C@H](C)O1 ZINC000598701827 343889808 /nfs/dbraw/zinc/88/98/08/343889808.db2.gz ZDLKAARLZQBBHP-ZNMIVQPWSA-N 2 2 297.443 1.376 20 30 CDEDLP CO[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888161 349889347 /nfs/dbraw/zinc/88/93/47/349889347.db2.gz ZCMLPFWXNIJSPB-HOTGVXAUSA-N 2 2 273.380 1.539 20 30 CDEDLP CO[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888161 349889349 /nfs/dbraw/zinc/88/93/49/349889349.db2.gz ZCMLPFWXNIJSPB-HOTGVXAUSA-N 2 2 273.380 1.539 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813461 346444646 /nfs/dbraw/zinc/44/46/46/346444646.db2.gz HVENHMLVDKUNNN-IUODEOHRSA-N 2 2 262.401 1.047 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813461 346444647 /nfs/dbraw/zinc/44/46/47/346444647.db2.gz HVENHMLVDKUNNN-IUODEOHRSA-N 2 2 262.401 1.047 20 30 CDEDLP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001659503309 1172120565 /nfs/dbraw/zinc/12/05/65/1172120565.db2.gz ARMVTZALIIJHAX-CFVMTHIKSA-N 2 2 263.385 1.522 20 30 CDEDLP COc1ccc(NC(=[NH2+])NCCn2cc[nH+]c2)cc1OC ZINC000264117048 362971071 /nfs/dbraw/zinc/97/10/71/362971071.db2.gz QFRXPLJQWHWROI-UHFFFAOYSA-N 2 2 289.339 1.327 20 30 CDEDLP CCCNC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000264119744 362972602 /nfs/dbraw/zinc/97/26/02/362972602.db2.gz UPIAHTBSNRPGOH-UHFFFAOYSA-N 2 2 257.341 1.687 20 30 CDEDLP C#CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000048368166 356802151 /nfs/dbraw/zinc/80/21/51/356802151.db2.gz ULWTZUSRMGZDEX-UHFFFAOYSA-N 2 2 258.369 1.664 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000449388819 358528917 /nfs/dbraw/zinc/52/89/17/358528917.db2.gz QJXADZUAXMGWRR-HZSPNIEDSA-N 2 2 251.374 1.115 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000449388819 358528920 /nfs/dbraw/zinc/52/89/20/358528920.db2.gz QJXADZUAXMGWRR-HZSPNIEDSA-N 2 2 251.374 1.115 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000346481427 359016479 /nfs/dbraw/zinc/01/64/79/359016479.db2.gz GWRTUUSCLDQFRK-CYBMUJFWSA-N 2 2 289.383 1.156 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000346481427 359016481 /nfs/dbraw/zinc/01/64/81/359016481.db2.gz GWRTUUSCLDQFRK-CYBMUJFWSA-N 2 2 289.383 1.156 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000294999561 363637300 /nfs/dbraw/zinc/63/73/00/363637300.db2.gz LXVBTWCWHVARJX-UHFFFAOYSA-N 3 2 286.423 1.595 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000294999561 363637304 /nfs/dbraw/zinc/63/73/04/363637304.db2.gz LXVBTWCWHVARJX-UHFFFAOYSA-N 3 2 286.423 1.595 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000337195220 360019837 /nfs/dbraw/zinc/01/98/37/360019837.db2.gz ARQDGZCQVCHASB-AWEZNQCLSA-N 2 2 265.401 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000337195220 360019841 /nfs/dbraw/zinc/01/98/41/360019841.db2.gz ARQDGZCQVCHASB-AWEZNQCLSA-N 2 2 265.401 1.191 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337284049 360062543 /nfs/dbraw/zinc/06/25/43/360062543.db2.gz YQYMHWSTNXUYHE-INIZCTEOSA-N 2 2 294.443 1.459 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337284049 360062546 /nfs/dbraw/zinc/06/25/46/360062546.db2.gz YQYMHWSTNXUYHE-INIZCTEOSA-N 2 2 294.443 1.459 20 30 CDEDLP C=C(C)C(C)(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000424708990 360345029 /nfs/dbraw/zinc/34/50/29/360345029.db2.gz SCXVITGYVRLZEA-UHFFFAOYSA-N 2 2 281.444 1.731 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000248177266 361282481 /nfs/dbraw/zinc/28/24/81/361282481.db2.gz VUEOSGFQJBVYNS-SQWLQELKSA-N 3 2 265.445 1.955 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000248177266 361282485 /nfs/dbraw/zinc/28/24/85/361282485.db2.gz VUEOSGFQJBVYNS-SQWLQELKSA-N 3 2 265.445 1.955 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000358300512 367583643 /nfs/dbraw/zinc/58/36/43/367583643.db2.gz OZGWXEXNROOGMI-HNNXBMFYSA-N 2 2 294.443 1.065 20 30 CDEDLP C=CC[NH+]1CCC(Nc2nc[nH+]c(N)c2OC)CC1 ZINC000574171622 371700378 /nfs/dbraw/zinc/70/03/78/371700378.db2.gz OJBGYXOLFBOETO-UHFFFAOYSA-N 2 2 263.345 1.130 20 30 CDEDLP C=CC[NH+]1CCC(Nc2[nH+]cnc(N)c2OC)CC1 ZINC000574171622 371700381 /nfs/dbraw/zinc/70/03/81/371700381.db2.gz OJBGYXOLFBOETO-UHFFFAOYSA-N 2 2 263.345 1.130 20 30 CDEDLP C=C(CC)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578064671 372249755 /nfs/dbraw/zinc/24/97/55/372249755.db2.gz PCMMHZMIGZZEHW-MJBXVCDLSA-N 2 2 256.390 1.012 20 30 CDEDLP C=C(CC)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578064671 372249759 /nfs/dbraw/zinc/24/97/59/372249759.db2.gz PCMMHZMIGZZEHW-MJBXVCDLSA-N 2 2 256.390 1.012 20 30 CDEDLP C#CCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000192000855 373586971 /nfs/dbraw/zinc/58/69/71/373586971.db2.gz JKTKVRILXJLZJB-UHFFFAOYSA-N 2 2 291.439 1.465 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000112839499 374231226 /nfs/dbraw/zinc/23/12/26/374231226.db2.gz HZUARUQTQKSRHF-HZPDHXFCSA-N 2 2 271.364 1.511 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000112839499 374231234 /nfs/dbraw/zinc/23/12/34/374231234.db2.gz HZUARUQTQKSRHF-HZPDHXFCSA-N 2 2 271.364 1.511 20 30 CDEDLP C[N@H+](Cc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000353353537 375261350 /nfs/dbraw/zinc/26/13/50/375261350.db2.gz PMWBREYUPFMGID-UHFFFAOYSA-N 2 2 273.380 1.447 20 30 CDEDLP C[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000353353537 375261352 /nfs/dbraw/zinc/26/13/52/375261352.db2.gz PMWBREYUPFMGID-UHFFFAOYSA-N 2 2 273.380 1.447 20 30 CDEDLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328942587 376016060 /nfs/dbraw/zinc/01/60/60/376016060.db2.gz IPRSTINFPMWKQJ-GFCCVEGCSA-N 2 2 273.340 1.607 20 30 CDEDLP C=CC[C@@H]1[NH+](C[C@H](O)C[N@@H+](C)CCOC)CCCC1(C)C ZINC000571773054 377519358 /nfs/dbraw/zinc/51/93/58/377519358.db2.gz XTEXOFQZMIGYEP-CVEARBPZSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@@H]1[NH+](C[C@H](O)C[N@H+](C)CCOC)CCCC1(C)C ZINC000571773054 377519361 /nfs/dbraw/zinc/51/93/61/377519361.db2.gz XTEXOFQZMIGYEP-CVEARBPZSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@@H]1[N@H+](C[C@H](O)C[NH+](C)CCOC)CCCC1(C)C ZINC000571773054 377519365 /nfs/dbraw/zinc/51/93/65/377519365.db2.gz XTEXOFQZMIGYEP-CVEARBPZSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@@H]1[N@@H+](C[C@H](O)C[NH+](C)CCOC)CCCC1(C)C ZINC000571773054 377519370 /nfs/dbraw/zinc/51/93/70/377519370.db2.gz XTEXOFQZMIGYEP-CVEARBPZSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)nn1 ZINC000655940907 412953071 /nfs/dbraw/zinc/95/30/71/412953071.db2.gz HCPBBCFIENTZCA-HNNXBMFYSA-N 2 2 277.416 1.851 20 30 CDEDLP C#CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289330370 197298467 /nfs/dbraw/zinc/29/84/67/197298467.db2.gz HPLRYYNTMBBBIL-IRXDYDNUSA-N 2 2 272.392 1.796 20 30 CDEDLP C#CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289330370 197298468 /nfs/dbraw/zinc/29/84/68/197298468.db2.gz HPLRYYNTMBBBIL-IRXDYDNUSA-N 2 2 272.392 1.796 20 30 CDEDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(C#N)cc2F)CC1 ZINC000505232841 254084541 /nfs/dbraw/zinc/08/45/41/254084541.db2.gz YNPFVUQCWOWNLR-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(C#N)cc2F)CC1 ZINC000505232841 254084545 /nfs/dbraw/zinc/08/45/45/254084545.db2.gz YNPFVUQCWOWNLR-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP C[C@H]1C[NH+](CC2CC[NH+](CCC#N)CC2)C[C@H](C)O1 ZINC000373076156 391104541 /nfs/dbraw/zinc/10/45/41/391104541.db2.gz HLUJOAZKAZELRY-KBPBESRZSA-N 2 2 265.401 1.721 20 30 CDEDLP C=CC[N@@H+](C)CCN(CC)CC[NH+]1CCO[C@H](C)C1 ZINC000411650307 391502920 /nfs/dbraw/zinc/50/29/20/391502920.db2.gz SZFKJGICWCFXOR-OAHLLOKOSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)CC[NH+]1CCO[C@H](C)C1 ZINC000411650307 391502924 /nfs/dbraw/zinc/50/29/24/391502924.db2.gz SZFKJGICWCFXOR-OAHLLOKOSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[NH+](C)CCN(CC)CC[N@@H+]1CCO[C@H](C)C1 ZINC000411650307 391502928 /nfs/dbraw/zinc/50/29/28/391502928.db2.gz SZFKJGICWCFXOR-OAHLLOKOSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[NH+](C)CCN(CC)CC[N@H+]1CCO[C@H](C)C1 ZINC000411650307 391502934 /nfs/dbraw/zinc/50/29/34/391502934.db2.gz SZFKJGICWCFXOR-OAHLLOKOSA-N 2 2 269.433 1.147 20 30 CDEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])NC1CCCC1 ZINC000261904924 391727268 /nfs/dbraw/zinc/72/72/68/391727268.db2.gz WULILQSURXJHAF-UHFFFAOYSA-N 2 2 298.394 1.923 20 30 CDEDLP C[C@H]1C[NH+](CCC[NH2+]Cc2cc(C#N)n(C)c2)C[C@H](C)O1 ZINC000190715973 130139645 /nfs/dbraw/zinc/13/96/45/130139645.db2.gz DCIBBIWYOSHZGK-KBPBESRZSA-N 2 2 290.411 1.486 20 30 CDEDLP C[C@H](CNC1=[NH+]CCN1C)[N@@H+]1CCc2sccc2C1 ZINC000262478573 391792171 /nfs/dbraw/zinc/79/21/71/391792171.db2.gz CQIRPFHWUVJPDM-LLVKDONJSA-N 2 2 278.425 1.386 20 30 CDEDLP C[C@H](CNC1=[NH+]CCN1C)[N@H+]1CCc2sccc2C1 ZINC000262478573 391792175 /nfs/dbraw/zinc/79/21/75/391792175.db2.gz CQIRPFHWUVJPDM-LLVKDONJSA-N 2 2 278.425 1.386 20 30 CDEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])Nc2ccccc2)n1C ZINC000262639979 391805672 /nfs/dbraw/zinc/80/56/72/391805672.db2.gz HCIUSPNQYICMHW-UHFFFAOYSA-N 2 2 272.356 1.413 20 30 CDEDLP C=CCN(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262453064 131222103 /nfs/dbraw/zinc/22/21/03/131222103.db2.gz WEXQWMUCQXBSCW-INIZCTEOSA-N 2 2 298.390 1.446 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C#N)c(F)c1 ZINC000423555336 392964740 /nfs/dbraw/zinc/96/47/40/392964740.db2.gz HTPHYMAOWFNQRQ-GXFFZTMASA-N 2 2 263.316 1.336 20 30 CDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330297571 228106392 /nfs/dbraw/zinc/10/63/92/228106392.db2.gz GZGMUHTXYLLBNI-OLZOCXBDSA-N 2 2 292.383 1.123 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000365368966 262362359 /nfs/dbraw/zinc/36/23/59/262362359.db2.gz UIAOVEANNRDRTF-MRXNPFEDSA-N 2 2 293.455 1.733 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000365368966 262362360 /nfs/dbraw/zinc/36/23/60/262362360.db2.gz UIAOVEANNRDRTF-MRXNPFEDSA-N 2 2 293.455 1.733 20 30 CDEDLP CN(C)C(=[NH+]CCc1cn2ccccc2[nH+]1)N(C)C ZINC000263267798 262808855 /nfs/dbraw/zinc/80/88/55/262808855.db2.gz VUHQXMMMMIYDPB-UHFFFAOYSA-N 2 2 259.357 1.356 20 30 CDEDLP CN(C)C(=[NH2+])NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277151140 263040014 /nfs/dbraw/zinc/04/00/14/263040014.db2.gz ANOHWTDYKMFNEV-AWEZNQCLSA-N 2 2 292.452 1.480 20 30 CDEDLP CN(C)C(=[NH2+])NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277151140 263040015 /nfs/dbraw/zinc/04/00/15/263040015.db2.gz ANOHWTDYKMFNEV-AWEZNQCLSA-N 2 2 292.452 1.480 20 30 CDEDLP CNC(NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C)=[NH+]C ZINC000286960878 263100355 /nfs/dbraw/zinc/10/03/55/263100355.db2.gz BIRAIHWPPKJZGA-OAHLLOKOSA-N 2 2 292.427 1.871 20 30 CDEDLP C=CCOc1cccc(C[N@H+](CC[NH3+])CCO)c1 ZINC000414929389 263135661 /nfs/dbraw/zinc/13/56/61/263135661.db2.gz NUQFCPVZLDMETR-UHFFFAOYSA-N 2 2 250.342 1.004 20 30 CDEDLP C=CCOc1cccc(C[N@@H+](CC[NH3+])CCO)c1 ZINC000414929389 263135662 /nfs/dbraw/zinc/13/56/62/263135662.db2.gz NUQFCPVZLDMETR-UHFFFAOYSA-N 2 2 250.342 1.004 20 30 CDEDLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)CCC#N)CC2)c1 ZINC000298299487 263217282 /nfs/dbraw/zinc/21/72/82/263217282.db2.gz YCFNDIQCXBILIX-CYBMUJFWSA-N 2 2 274.368 1.904 20 30 CDEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000415097526 263273475 /nfs/dbraw/zinc/27/34/75/263273475.db2.gz SSTAQSZITHPVSI-AWEZNQCLSA-N 2 2 292.379 1.338 20 30 CDEDLP C=CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660713226 423943635 /nfs/dbraw/zinc/94/36/35/423943635.db2.gz QGEZTEAGILXCLZ-CYBMUJFWSA-N 2 2 280.416 1.030 20 30 CDEDLP C=CCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660713226 423943650 /nfs/dbraw/zinc/94/36/50/423943650.db2.gz QGEZTEAGILXCLZ-CYBMUJFWSA-N 2 2 280.416 1.030 20 30 CDEDLP N#Cc1cnn2cc(C[NH2+]CCC[NH+]3CCCCC3)cnc12 ZINC000559272774 290442976 /nfs/dbraw/zinc/44/29/76/290442976.db2.gz BPFBYWIMLWIWQQ-UHFFFAOYSA-N 2 2 298.394 1.567 20 30 CDEDLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1C#N ZINC000576129420 317082543 /nfs/dbraw/zinc/08/25/43/317082543.db2.gz CKBLLXZOIJSZSE-CQSZACIVSA-N 2 2 275.352 1.035 20 30 CDEDLP C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262330812 328149103 /nfs/dbraw/zinc/14/91/03/328149103.db2.gz YBZRMZPBHIEXGR-SNVBAGLBSA-N 2 2 284.310 1.022 20 30 CDEDLP C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262330812 328149105 /nfs/dbraw/zinc/14/91/05/328149105.db2.gz YBZRMZPBHIEXGR-SNVBAGLBSA-N 2 2 284.310 1.022 20 30 CDEDLP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])NC(C)(C)C)C[C@H](C)O1 ZINC000263258933 330050902 /nfs/dbraw/zinc/05/09/02/330050902.db2.gz RVUZOSGKKHHEJY-RYUDHWBXSA-N 2 2 284.448 1.577 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000491039055 332141475 /nfs/dbraw/zinc/14/14/75/332141475.db2.gz MLBXUZIOZGZFSI-KBPBESRZSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000491039055 332141476 /nfs/dbraw/zinc/14/14/76/332141476.db2.gz MLBXUZIOZGZFSI-KBPBESRZSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000491039055 332141477 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C=CC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001755716054 1160489042 /nfs/dbraw/zinc/48/90/42/1160489042.db2.gz INNFTENYAGQFIK-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001755716054 1160489045 /nfs/dbraw/zinc/48/90/45/1160489045.db2.gz INNFTENYAGQFIK-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657874805 482908518 /nfs/dbraw/zinc/90/85/18/482908518.db2.gz AUOOKLHKTHNJKJ-CQSZACIVSA-N 2 2 260.385 1.958 20 30 CDEDLP CC(C)[NH+]1CCN(C2CC[NH+](CC3(C#N)CC3)CC2)CC1 ZINC000347494754 529040125 /nfs/dbraw/zinc/04/01/25/529040125.db2.gz XKXOUHXDVOWVBW-UHFFFAOYSA-N 2 2 290.455 1.781 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC000730275905 574907683 /nfs/dbraw/zinc/90/76/83/574907683.db2.gz BIGRSJWBMVXVDR-OAGGEKHMSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC000730275905 574907685 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C=CC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001671374070 1159676331 /nfs/dbraw/zinc/67/63/31/1159676331.db2.gz XNAYLNQLWUEGCL-CQSZACIVSA-N 2 2 276.384 1.119 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC=C)[C@@H]1C ZINC001088631966 1160668770 /nfs/dbraw/zinc/66/87/70/1160668770.db2.gz OYKTWMUMPWJHDE-PMPSAXMXSA-N 2 2 289.423 1.239 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC=C)[C@@H]1C ZINC001088631966 1160668778 /nfs/dbraw/zinc/66/87/78/1160668778.db2.gz OYKTWMUMPWJHDE-PMPSAXMXSA-N 2 2 289.423 1.239 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC=C)[C@@H]1C ZINC001088631966 1160668781 /nfs/dbraw/zinc/66/87/81/1160668781.db2.gz OYKTWMUMPWJHDE-PMPSAXMXSA-N 2 2 289.423 1.239 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC=C)[C@@H]1C ZINC001088631966 1160668786 /nfs/dbraw/zinc/66/87/86/1160668786.db2.gz OYKTWMUMPWJHDE-PMPSAXMXSA-N 2 2 289.423 1.239 20 30 CDEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001113536161 1162208656 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C=CC[NH+]1CCC([NH2+]Cc2cncc(OC)c2)CC1 ZINC000850124397 836158595 /nfs/dbraw/zinc/15/85/95/836158595.db2.gz ZKLQFYFMJFYVKA-UHFFFAOYSA-N 2 2 261.369 1.830 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000987421711 836308056 /nfs/dbraw/zinc/30/80/56/836308056.db2.gz MYGHLRMHCRIGQU-STQMWFEESA-N 2 2 276.384 1.416 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550464 836850602 /nfs/dbraw/zinc/85/06/02/836850602.db2.gz SDAAMVJBRGWABF-KBPBESRZSA-N 2 2 274.368 1.134 20 30 CDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550464 836850610 /nfs/dbraw/zinc/85/06/10/836850610.db2.gz SDAAMVJBRGWABF-KBPBESRZSA-N 2 2 274.368 1.134 20 30 CDEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016899746 836984469 /nfs/dbraw/zinc/98/44/69/836984469.db2.gz YGYNUAGXKFCUGD-CYBMUJFWSA-N 2 2 288.395 1.499 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046332973 837052946 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LDRSLUWDQZKWGH-KGLIPLIRSA-N 2 2 290.411 1.745 20 30 CDEDLP N#CC[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000930267344 837159753 /nfs/dbraw/zinc/15/97/53/837159753.db2.gz SELOSQBSYGVSQA-OAHLLOKOSA-N 2 2 288.395 1.673 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036830152 837167657 /nfs/dbraw/zinc/16/76/57/837167657.db2.gz QJBUTPQHIJLXHQ-JSGCOSHPSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036830152 837167667 /nfs/dbraw/zinc/16/76/67/837167667.db2.gz QJBUTPQHIJLXHQ-JSGCOSHPSA-N 2 2 274.368 1.061 20 30 CDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027609746 837289398 /nfs/dbraw/zinc/28/93/98/837289398.db2.gz FFNQEGQSNRJPID-UKRRQHHQSA-N 2 2 288.395 1.144 20 30 CDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001044647127 837319116 /nfs/dbraw/zinc/31/91/16/837319116.db2.gz IRJMTUYEZQQNMI-GXTWGEPZSA-N 2 2 296.374 1.779 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008488246 837338308 /nfs/dbraw/zinc/33/83/08/837338308.db2.gz OKPHZQBFODVSSE-OLZOCXBDSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008488246 837338317 /nfs/dbraw/zinc/33/83/17/837338317.db2.gz OKPHZQBFODVSSE-OLZOCXBDSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994232309 838129415 /nfs/dbraw/zinc/12/94/15/838129415.db2.gz PNZYRBVWROTQOF-HIFRSBDPSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994232309 838129442 /nfs/dbraw/zinc/12/94/42/838129442.db2.gz PNZYRBVWROTQOF-HIFRSBDPSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001030955348 838191276 /nfs/dbraw/zinc/19/12/76/838191276.db2.gz AYBWSRJKJOGUGL-INIZCTEOSA-N 2 2 297.418 1.575 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001030955348 838191292 /nfs/dbraw/zinc/19/12/92/838191292.db2.gz AYBWSRJKJOGUGL-INIZCTEOSA-N 2 2 297.418 1.575 20 30 CDEDLP C[C@H]1CCCN(C(=[NH2+])NCCCNc2cccc[nH+]2)C1 ZINC000170905282 838852615 /nfs/dbraw/zinc/85/26/15/838852615.db2.gz FXTNRLGCUOPDOF-ZDUSSCGKSA-N 2 2 275.400 1.930 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999837132 839116641 /nfs/dbraw/zinc/11/66/41/839116641.db2.gz PVDDKXFPSBSDAZ-CYBMUJFWSA-N 2 2 262.357 1.040 20 30 CDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001032535156 839206481 /nfs/dbraw/zinc/20/64/81/839206481.db2.gz UXXXZEWVDWLGBG-KBPBESRZSA-N 2 2 288.395 1.214 20 30 CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001036270476 839215286 /nfs/dbraw/zinc/21/52/86/839215286.db2.gz ZLMDPRCIYZIYTE-OLZOCXBDSA-N 2 2 288.395 1.147 20 30 CDEDLP C=CCC[NH+]1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001043232842 839635549 /nfs/dbraw/zinc/63/55/49/839635549.db2.gz YIWBGBOVHXMFPF-UHFFFAOYSA-N 2 2 284.363 1.667 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000791383389 839779332 /nfs/dbraw/zinc/77/93/32/839779332.db2.gz AFRLKZPWHPEKMB-UHFFFAOYSA-N 2 2 258.325 1.068 20 30 CDEDLP C#CCC[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001003294022 839917712 /nfs/dbraw/zinc/91/77/12/839917712.db2.gz VGACGRIIQBGIJW-UHFFFAOYSA-N 2 2 296.374 1.552 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001022080639 839935368 /nfs/dbraw/zinc/93/53/68/839935368.db2.gz KGAZYOFNYRLXBA-OKILXGFUSA-N 2 2 284.363 1.679 20 30 CDEDLP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000862548438 840035771 /nfs/dbraw/zinc/03/57/71/840035771.db2.gz GFLYZGOOQGEFSL-HOCLYGCPSA-N 2 2 280.412 1.258 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038645509 840351995 /nfs/dbraw/zinc/35/19/95/840351995.db2.gz MJZAZOQCEPQSAA-CQSZACIVSA-N 2 2 289.379 1.169 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038645509 840352010 /nfs/dbraw/zinc/35/20/10/840352010.db2.gz MJZAZOQCEPQSAA-CQSZACIVSA-N 2 2 289.379 1.169 20 30 CDEDLP C[N@H+](C[C@H](O)CC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000809576218 840616562 /nfs/dbraw/zinc/61/65/62/840616562.db2.gz RLQDPEMYOWQKMN-QGZVFWFLSA-N 2 2 287.407 1.857 20 30 CDEDLP C[N@@H+](C[C@H](O)CC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000809576218 840616574 /nfs/dbraw/zinc/61/65/74/840616574.db2.gz RLQDPEMYOWQKMN-QGZVFWFLSA-N 2 2 287.407 1.857 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001042715755 840650561 /nfs/dbraw/zinc/65/05/61/840650561.db2.gz NQCAXDWMKJIIBW-KBPBESRZSA-N 2 2 277.412 1.189 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001042715755 840650577 /nfs/dbraw/zinc/65/05/77/840650577.db2.gz NQCAXDWMKJIIBW-KBPBESRZSA-N 2 2 277.412 1.189 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000931344501 840970271 /nfs/dbraw/zinc/97/02/71/840970271.db2.gz ODQGGPSICBZOHT-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000931344501 840970282 /nfs/dbraw/zinc/97/02/82/840970282.db2.gz ODQGGPSICBZOHT-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001000339126 841322283 /nfs/dbraw/zinc/32/22/83/841322283.db2.gz VQNAJCQWTXZVME-KBPBESRZSA-N 2 2 274.368 1.048 20 30 CDEDLP C#CCC[NH+]1CC(NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001030741981 841973948 /nfs/dbraw/zinc/97/39/48/841973948.db2.gz LUWPMIRTJGGUMQ-UHFFFAOYSA-N 2 2 299.418 1.228 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000989181744 842484329 /nfs/dbraw/zinc/48/43/29/842484329.db2.gz KOUQIYFRVAYEHC-OLZOCXBDSA-N 2 2 284.363 1.713 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001050213812 842598503 /nfs/dbraw/zinc/59/85/03/842598503.db2.gz AFKTYIJSFYCFOQ-LSDHHAIUSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001050213812 842598521 /nfs/dbraw/zinc/59/85/21/842598521.db2.gz AFKTYIJSFYCFOQ-LSDHHAIUSA-N 2 2 288.395 1.382 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175629858 913698495 /nfs/dbraw/zinc/69/84/95/913698495.db2.gz LYORQXGWJHLPCN-ZIAGYGMSSA-N 2 2 290.411 1.486 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175629858 913698504 /nfs/dbraw/zinc/69/85/04/913698504.db2.gz LYORQXGWJHLPCN-ZIAGYGMSSA-N 2 2 290.411 1.486 20 30 CDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106799386 914318154 /nfs/dbraw/zinc/31/81/54/914318154.db2.gz INIISXRUCUYBSI-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1CC ZINC001087519417 905353387 /nfs/dbraw/zinc/35/33/87/905353387.db2.gz MRAHFYXJVKHIFI-MJBXVCDLSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001087519417 905353337 /nfs/dbraw/zinc/35/33/37/905353337.db2.gz MRAHFYXJVKHIFI-MJBXVCDLSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001087519417 905353353 /nfs/dbraw/zinc/35/33/53/905353353.db2.gz MRAHFYXJVKHIFI-MJBXVCDLSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001087519417 905353369 /nfs/dbraw/zinc/35/33/69/905353369.db2.gz MRAHFYXJVKHIFI-MJBXVCDLSA-N 2 2 299.846 1.802 20 30 CDEDLP COCCC[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC001172246701 911516452 /nfs/dbraw/zinc/51/64/52/911516452.db2.gz PTDDVAUGWBCHLD-UHFFFAOYSA-N 2 2 251.374 1.381 20 30 CDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181279027 916957320 /nfs/dbraw/zinc/95/73/20/916957320.db2.gz LUVSRTACIABJAU-CZUORRHYSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127791072 918443285 /nfs/dbraw/zinc/44/32/85/918443285.db2.gz INTRCJIZMOGFJD-UHFFFAOYSA-N 2 2 276.384 1.044 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184273630 918964911 /nfs/dbraw/zinc/96/49/11/918964911.db2.gz LWJOTJGFGXRCLG-KBPBESRZSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185206796 919476731 /nfs/dbraw/zinc/47/67/31/919476731.db2.gz VYMOWCSBNOWCCA-QWHCGFSZSA-N 2 2 276.384 1.212 20 30 CDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185371869 919580704 /nfs/dbraw/zinc/58/07/04/919580704.db2.gz VNDIMBJZALHKBK-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186222253 919928754 /nfs/dbraw/zinc/92/87/54/919928754.db2.gz XEVWOHDVOUSEGS-UONOGXRCSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186222253 919928766 /nfs/dbraw/zinc/92/87/66/919928766.db2.gz XEVWOHDVOUSEGS-UONOGXRCSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203052833 936732200 /nfs/dbraw/zinc/73/22/00/936732200.db2.gz USEOQAKUQXIXPD-ZDUSSCGKSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633764 922669877 /nfs/dbraw/zinc/66/98/77/922669877.db2.gz UKQVSNHUGRRFRU-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633764 922669887 /nfs/dbraw/zinc/66/98/87/922669887.db2.gz UKQVSNHUGRRFRU-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080851475 924644903 /nfs/dbraw/zinc/64/49/03/924644903.db2.gz LFLYHJUFMIRZQE-IUODEOHRSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080851475 924644911 /nfs/dbraw/zinc/64/49/11/924644911.db2.gz LFLYHJUFMIRZQE-IUODEOHRSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080940877 924664252 /nfs/dbraw/zinc/66/42/52/924664252.db2.gz LSGBMAXEKMIQBO-DGCLKSJQSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080940877 924664255 /nfs/dbraw/zinc/66/42/55/924664255.db2.gz LSGBMAXEKMIQBO-DGCLKSJQSA-N 2 2 285.819 1.271 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001084691330 925361207 /nfs/dbraw/zinc/36/12/07/925361207.db2.gz MSJMPGJSSZPVGI-RRFJBIMHSA-N 2 2 286.379 1.000 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001084691330 925361218 /nfs/dbraw/zinc/36/12/18/925361218.db2.gz MSJMPGJSSZPVGI-RRFJBIMHSA-N 2 2 286.379 1.000 20 30 CDEDLP C=C(C)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248551 925695349 /nfs/dbraw/zinc/69/53/49/925695349.db2.gz DHJULZDWOWWURO-UHFFFAOYSA-N 2 2 290.411 1.868 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482378 937060129 /nfs/dbraw/zinc/06/01/29/937060129.db2.gz RVEOVEJFXFJTBB-CHWSQXEVSA-N 2 2 276.384 1.212 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482378 937060132 /nfs/dbraw/zinc/06/01/32/937060132.db2.gz RVEOVEJFXFJTBB-CHWSQXEVSA-N 2 2 276.384 1.212 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085638999 926239196 /nfs/dbraw/zinc/23/91/96/926239196.db2.gz GGBMYVBJBUNZLS-UONOGXRCSA-N 2 2 288.395 1.479 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085638999 926239206 /nfs/dbraw/zinc/23/92/06/926239206.db2.gz GGBMYVBJBUNZLS-UONOGXRCSA-N 2 2 288.395 1.479 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085986868 926568169 /nfs/dbraw/zinc/56/81/69/926568169.db2.gz OOYIRDLVTRQWCG-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001085986868 926568190 /nfs/dbraw/zinc/56/81/90/926568190.db2.gz OOYIRDLVTRQWCG-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001085986868 926568196 /nfs/dbraw/zinc/56/81/96/926568196.db2.gz OOYIRDLVTRQWCG-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001086366683 927039039 /nfs/dbraw/zinc/03/90/39/927039039.db2.gz HKSSCEGEUMQEMY-CTYIDZIISA-N 2 2 296.374 1.374 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149557895 937190934 /nfs/dbraw/zinc/19/09/34/937190934.db2.gz CSMFQUGNZPJSLR-ZDUSSCGKSA-N 2 2 278.400 1.413 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135130816 930067580 /nfs/dbraw/zinc/06/75/80/930067580.db2.gz AQBWTZYCAVRUOB-STQMWFEESA-N 2 2 264.373 1.332 20 30 CDEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799900 930428791 /nfs/dbraw/zinc/42/87/91/930428791.db2.gz ZCISISJRIDDXMF-OLZOCXBDSA-N 2 2 278.400 1.791 20 30 CDEDLP C=C(C)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115749112 937417876 /nfs/dbraw/zinc/41/78/76/937417876.db2.gz MNITZUPHHQIMHO-UHFFFAOYSA-N 2 2 290.411 1.937 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136052354 930625255 /nfs/dbraw/zinc/62/52/55/930625255.db2.gz PFCFKDDKHFBIMC-ZIAGYGMSSA-N 2 2 292.427 1.802 20 30 CDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877465 931475468 /nfs/dbraw/zinc/47/54/68/931475468.db2.gz SOBUCFHLZAZNKS-KFWWJZLASA-N 2 2 286.379 1.018 20 30 CDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877465 931475471 /nfs/dbraw/zinc/47/54/71/931475471.db2.gz SOBUCFHLZAZNKS-KFWWJZLASA-N 2 2 286.379 1.018 20 30 CDEDLP N#Cc1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c(C#N)c1 ZINC001155053323 937627307 /nfs/dbraw/zinc/62/73/07/937627307.db2.gz MDBZHVBWXPAIGM-UHFFFAOYSA-N 2 2 278.319 1.478 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038492191 935747462 /nfs/dbraw/zinc/74/74/62/935747462.db2.gz AXNGYHUNDCMVAE-CQSZACIVSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038492191 935747464 /nfs/dbraw/zinc/74/74/64/935747464.db2.gz AXNGYHUNDCMVAE-CQSZACIVSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383295 938360593 /nfs/dbraw/zinc/36/05/93/938360593.db2.gz KJNIETJKOWSCBB-CQSZACIVSA-N 2 2 292.427 1.755 20 30 CDEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383295 938360594 /nfs/dbraw/zinc/36/05/94/938360594.db2.gz KJNIETJKOWSCBB-CQSZACIVSA-N 2 2 292.427 1.755 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264058 938471998 /nfs/dbraw/zinc/47/19/98/938471998.db2.gz BAZQFDGWOOKVSY-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C#CCC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158061999 938579329 /nfs/dbraw/zinc/57/93/29/938579329.db2.gz NHFOMFZCXHIYFW-UHFFFAOYSA-N 2 2 284.363 1.376 20 30 CDEDLP Cc1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(C#N)c1 ZINC001158258694 938601332 /nfs/dbraw/zinc/60/13/32/938601332.db2.gz GVQORLHYAOHUCK-CQSZACIVSA-N 2 2 285.395 1.264 20 30 CDEDLP Cc1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(C#N)c1 ZINC001158258694 938601333 /nfs/dbraw/zinc/60/13/33/938601333.db2.gz GVQORLHYAOHUCK-CQSZACIVSA-N 2 2 285.395 1.264 20 30 CDEDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001203905217 939713202 /nfs/dbraw/zinc/71/32/02/939713202.db2.gz XKTQZCOAWDPBSY-HZPDHXFCSA-N 2 2 255.365 1.942 20 30 CDEDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001203905217 939713204 /nfs/dbraw/zinc/71/32/04/939713204.db2.gz XKTQZCOAWDPBSY-HZPDHXFCSA-N 2 2 255.365 1.942 20 30 CDEDLP Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(C#N)c1 ZINC001205690897 939921879 /nfs/dbraw/zinc/92/18/79/939921879.db2.gz YRMMBHIEUAPJBK-INIZCTEOSA-N 2 2 273.380 1.542 20 30 CDEDLP Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(C#N)c1 ZINC001205690897 939921886 /nfs/dbraw/zinc/92/18/86/939921886.db2.gz YRMMBHIEUAPJBK-INIZCTEOSA-N 2 2 273.380 1.542 20 30 CDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215854722 940911371 /nfs/dbraw/zinc/91/13/71/940911371.db2.gz IGHGTTJIWKXVCL-UMVBOHGHSA-N 2 2 288.395 1.048 20 30 CDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215854722 940911373 /nfs/dbraw/zinc/91/13/73/940911373.db2.gz IGHGTTJIWKXVCL-UMVBOHGHSA-N 2 2 288.395 1.048 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1F ZINC000404621830 940966573 /nfs/dbraw/zinc/96/65/73/940966573.db2.gz XZLVUJNDVRCHBD-RDUHTLEXSA-N 2 2 271.339 1.783 20 30 CDEDLP C=CC[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccccc1 ZINC001221361202 941522166 /nfs/dbraw/zinc/52/21/66/941522166.db2.gz RWECQQQBFNOOKN-INMHGKMJSA-N 2 2 285.391 1.372 20 30 CDEDLP C[NH+]1CCN(C2C[NH+](Cc3ccccc3CC#N)C2)CC1 ZINC001235525792 944187288 /nfs/dbraw/zinc/18/72/88/944187288.db2.gz ROFNJRPSSAKEPC-UHFFFAOYSA-N 2 2 284.407 1.184 20 30 CDEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246089716 947940170 /nfs/dbraw/zinc/94/01/70/947940170.db2.gz DHKIBLPESSCOHI-UGFHNGPFSA-N 2 2 261.344 1.779 20 30 CDEDLP C[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246532081 948231650 /nfs/dbraw/zinc/23/16/50/948231650.db2.gz WGOPDQAWPTVPFF-GDBMZVCRSA-N 2 2 284.407 1.821 20 30 CDEDLP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001252470609 951316238 /nfs/dbraw/zinc/31/62/38/951316238.db2.gz MWVMAQNTDQAQJK-OLZOCXBDSA-N 2 2 265.357 1.153 20 30 CDEDLP C=CCOC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001252470609 951316248 /nfs/dbraw/zinc/31/62/48/951316248.db2.gz MWVMAQNTDQAQJK-OLZOCXBDSA-N 2 2 265.357 1.153 20 30 CDEDLP C=C[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001253577904 951966479 /nfs/dbraw/zinc/96/64/79/951966479.db2.gz QWUNPPQYMWQLJF-IXDOHACOSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001253577904 951966483 /nfs/dbraw/zinc/96/64/83/951966483.db2.gz QWUNPPQYMWQLJF-IXDOHACOSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001253577904 951966489 /nfs/dbraw/zinc/96/64/89/951966489.db2.gz QWUNPPQYMWQLJF-IXDOHACOSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001253577904 951966496 /nfs/dbraw/zinc/96/64/96/951966496.db2.gz QWUNPPQYMWQLJF-IXDOHACOSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001366613603 957038535 /nfs/dbraw/zinc/03/85/35/957038535.db2.gz LEGFRTHJXLNVHX-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001366613603 957038550 /nfs/dbraw/zinc/03/85/50/957038550.db2.gz LEGFRTHJXLNVHX-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001366613603 957038563 /nfs/dbraw/zinc/03/85/63/957038563.db2.gz LEGFRTHJXLNVHX-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001366613603 957038575 /nfs/dbraw/zinc/03/85/75/957038575.db2.gz LEGFRTHJXLNVHX-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001366617815 957044969 /nfs/dbraw/zinc/04/49/69/957044969.db2.gz ZJLRDUKPMXFCAI-UHFFFAOYSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001366617815 957044982 /nfs/dbraw/zinc/04/49/82/957044982.db2.gz ZJLRDUKPMXFCAI-UHFFFAOYSA-N 2 2 287.835 1.661 20 30 CDEDLP N#Cc1cccc([C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC001460045471 969470905 /nfs/dbraw/zinc/47/09/05/969470905.db2.gz DWQJTBOOAZRDFX-OAHLLOKOSA-N 2 2 297.362 1.137 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001418465041 973870014 /nfs/dbraw/zinc/87/00/14/973870014.db2.gz KJVWTTQULFQUSS-UHFFFAOYSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001418465041 973870023 /nfs/dbraw/zinc/87/00/23/973870023.db2.gz KJVWTTQULFQUSS-UHFFFAOYSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001391631631 977006157 /nfs/dbraw/zinc/00/61/57/977006157.db2.gz NFPYOMNUBMEPQF-ZDUSSCGKSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001391631631 977006162 /nfs/dbraw/zinc/00/61/62/977006162.db2.gz NFPYOMNUBMEPQF-ZDUSSCGKSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001391631631 977006170 /nfs/dbraw/zinc/00/61/70/977006170.db2.gz NFPYOMNUBMEPQF-ZDUSSCGKSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001391631631 977006176 /nfs/dbraw/zinc/00/61/76/977006176.db2.gz NFPYOMNUBMEPQF-ZDUSSCGKSA-N 2 2 287.835 1.613 20 30 CDEDLP N#CC1(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000595469977 343072435 /nfs/dbraw/zinc/07/24/35/343072435.db2.gz KYBSWBDBABTYGQ-CQSZACIVSA-N 2 2 263.385 1.477 20 30 CDEDLP N#CC1(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000595469977 343072436 /nfs/dbraw/zinc/07/24/36/343072436.db2.gz KYBSWBDBABTYGQ-CQSZACIVSA-N 2 2 263.385 1.477 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507992 343080677 /nfs/dbraw/zinc/08/06/77/343080677.db2.gz SSIOAVBAUXGBDX-HOCLYGCPSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507992 343080679 /nfs/dbraw/zinc/08/06/79/343080679.db2.gz SSIOAVBAUXGBDX-HOCLYGCPSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507992 343080681 /nfs/dbraw/zinc/08/06/81/343080681.db2.gz SSIOAVBAUXGBDX-HOCLYGCPSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507992 343080684 /nfs/dbraw/zinc/08/06/84/343080684.db2.gz SSIOAVBAUXGBDX-HOCLYGCPSA-N 2 2 292.427 1.165 20 30 CDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1C[C@@H]1C ZINC000083899431 342377748 /nfs/dbraw/zinc/37/77/48/342377748.db2.gz BVHHXNCDTDKEOC-AAEUAGOBSA-N 2 2 292.452 1.680 20 30 CDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1C[C@@H]1C ZINC000083899431 342377749 /nfs/dbraw/zinc/37/77/49/342377749.db2.gz BVHHXNCDTDKEOC-AAEUAGOBSA-N 2 2 292.452 1.680 20 30 CDEDLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000597130647 343453621 /nfs/dbraw/zinc/45/36/21/343453621.db2.gz UYGIPAKSRBYMDW-HNNXBMFYSA-N 2 2 297.362 1.649 20 30 CDEDLP Cc1[nH+]cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000597130647 343453623 /nfs/dbraw/zinc/45/36/23/343453623.db2.gz UYGIPAKSRBYMDW-HNNXBMFYSA-N 2 2 297.362 1.649 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000598590972 343837731 /nfs/dbraw/zinc/83/77/31/343837731.db2.gz VUBWQNKIKLRVOF-KGLIPLIRSA-N 2 2 276.384 1.821 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000598590972 343837732 /nfs/dbraw/zinc/83/77/32/343837732.db2.gz VUBWQNKIKLRVOF-KGLIPLIRSA-N 2 2 276.384 1.821 20 30 CDEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000602652450 344516747 /nfs/dbraw/zinc/51/67/47/344516747.db2.gz LDFLKVMHZSZWLF-HOTGVXAUSA-N 2 2 279.428 1.970 20 30 CDEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000602652450 344516748 /nfs/dbraw/zinc/51/67/48/344516748.db2.gz LDFLKVMHZSZWLF-HOTGVXAUSA-N 2 2 279.428 1.970 20 30 CDEDLP C[C@]1(C#N)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602903813 344655461 /nfs/dbraw/zinc/65/54/61/344655461.db2.gz SQGQQXQCTYYBSK-MSOLQXFVSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@]1(C#N)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602903813 344655463 /nfs/dbraw/zinc/65/54/63/344655463.db2.gz SQGQQXQCTYYBSK-MSOLQXFVSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@]1(C#N)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602903813 344655465 /nfs/dbraw/zinc/65/54/65/344655465.db2.gz SQGQQXQCTYYBSK-MSOLQXFVSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@]1(C#N)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602903813 344655467 /nfs/dbraw/zinc/65/54/67/344655467.db2.gz SQGQQXQCTYYBSK-MSOLQXFVSA-N 2 2 299.418 1.859 20 30 CDEDLP COCC[C@@H]([NH3+])C[NH2+][C@H](CCC#N)c1ccccc1 ZINC001579002572 1172074988 /nfs/dbraw/zinc/07/49/88/1172074988.db2.gz SCJZQLMXCBJFMU-HUUCEWRRSA-N 2 2 261.369 1.985 20 30 CDEDLP C[C@@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+]1C1CC1 ZINC000610813456 346444746 /nfs/dbraw/zinc/44/47/46/346444746.db2.gz HSVYULAOSXTYSS-OCCSQVGLSA-N 2 2 262.401 1.189 20 30 CDEDLP C[C@@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+]1C1CC1 ZINC000610813456 346444749 /nfs/dbraw/zinc/44/47/49/346444749.db2.gz HSVYULAOSXTYSS-OCCSQVGLSA-N 2 2 262.401 1.189 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449546778 362756621 /nfs/dbraw/zinc/75/66/21/362756621.db2.gz DTECKCHXFNFQDU-MXYBEHONSA-N 2 2 250.386 1.935 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449546778 362756627 /nfs/dbraw/zinc/75/66/27/362756627.db2.gz DTECKCHXFNFQDU-MXYBEHONSA-N 2 2 250.386 1.935 20 30 CDEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611302412 346742207 /nfs/dbraw/zinc/74/22/07/346742207.db2.gz DINBPMPKPWHONU-AWEZNQCLSA-N 2 2 289.383 1.282 20 30 CDEDLP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611302412 346742210 /nfs/dbraw/zinc/74/22/10/346742210.db2.gz DINBPMPKPWHONU-AWEZNQCLSA-N 2 2 289.383 1.282 20 30 CDEDLP CCc1ccc([C@@H](CNC(=[NH2+])NC2CC2)[NH+](C)C)cc1 ZINC000066242347 347479227 /nfs/dbraw/zinc/47/92/27/347479227.db2.gz GJEMXQJROKBYRI-OAHLLOKOSA-N 2 2 274.412 1.918 20 30 CDEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449387160 358521852 /nfs/dbraw/zinc/52/18/52/358521852.db2.gz KOJWNIKFTNMZOE-CQSZACIVSA-N 2 2 267.417 1.753 20 30 CDEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449387160 358521855 /nfs/dbraw/zinc/52/18/55/358521855.db2.gz KOJWNIKFTNMZOE-CQSZACIVSA-N 2 2 267.417 1.753 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266918622 359346392 /nfs/dbraw/zinc/34/63/92/359346392.db2.gz LHEJRBUAKSKDPT-VXGBXAGGSA-N 2 2 262.357 1.280 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266918622 359346398 /nfs/dbraw/zinc/34/63/98/359346398.db2.gz LHEJRBUAKSKDPT-VXGBXAGGSA-N 2 2 262.357 1.280 20 30 CDEDLP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1C#N ZINC000235005479 359682441 /nfs/dbraw/zinc/68/24/41/359682441.db2.gz SZTMUOZPOMRPAV-ZIAGYGMSSA-N 2 2 257.337 1.218 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337281755 360061660 /nfs/dbraw/zinc/06/16/60/360061660.db2.gz WQFPAMRHSNDQEL-UHFFFAOYSA-N 2 2 280.416 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337281755 360061661 /nfs/dbraw/zinc/06/16/61/360061661.db2.gz WQFPAMRHSNDQEL-UHFFFAOYSA-N 2 2 280.416 1.166 20 30 CDEDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369999 363988093 /nfs/dbraw/zinc/98/80/93/363988093.db2.gz FETCFFKJVAHJGH-WFASDCNBSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369999 363988098 /nfs/dbraw/zinc/98/80/98/363988098.db2.gz FETCFFKJVAHJGH-WFASDCNBSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369999 363988103 /nfs/dbraw/zinc/98/81/03/363988103.db2.gz FETCFFKJVAHJGH-WFASDCNBSA-N 2 2 298.394 1.373 20 30 CDEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000581369999 363988106 /nfs/dbraw/zinc/98/81/06/363988106.db2.gz FETCFFKJVAHJGH-WFASDCNBSA-N 2 2 298.394 1.373 20 30 CDEDLP CC#CC[NH2+]Cc1cn(CCCCn2cc[nH+]c2C)nn1 ZINC000641150887 365118715 /nfs/dbraw/zinc/11/87/15/365118715.db2.gz ZCRZFBNCBWNTIY-UHFFFAOYSA-N 2 2 286.383 1.376 20 30 CDEDLP CC#CCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000361648506 368962252 /nfs/dbraw/zinc/96/22/52/368962252.db2.gz RZCJIWFXDDVEMP-UHFFFAOYSA-N 2 2 294.443 1.067 20 30 CDEDLP CC#CCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000361648506 368962254 /nfs/dbraw/zinc/96/22/54/368962254.db2.gz RZCJIWFXDDVEMP-UHFFFAOYSA-N 2 2 294.443 1.067 20 30 CDEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000330884037 203351493 /nfs/dbraw/zinc/35/14/93/203351493.db2.gz PJJNONGDTKNALN-ABAIWWIYSA-N 2 2 277.343 1.415 20 30 CDEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000330884037 203351495 /nfs/dbraw/zinc/35/14/95/203351495.db2.gz PJJNONGDTKNALN-ABAIWWIYSA-N 2 2 277.343 1.415 20 30 CDEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000135182727 375683043 /nfs/dbraw/zinc/68/30/43/375683043.db2.gz CUZQJULLNCOWHH-CYBMUJFWSA-N 2 2 252.406 1.152 20 30 CDEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000135182727 375683051 /nfs/dbraw/zinc/68/30/51/375683051.db2.gz CUZQJULLNCOWHH-CYBMUJFWSA-N 2 2 252.406 1.152 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420371925 376340791 /nfs/dbraw/zinc/34/07/91/376340791.db2.gz PWJORRZZXINSBA-VNHYZAJKSA-N 2 2 265.401 1.163 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000289730945 378347171 /nfs/dbraw/zinc/34/71/71/378347171.db2.gz GFYWMSWBPPTBBX-BMFZPTHFSA-N 2 2 260.381 1.786 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000289730945 378347174 /nfs/dbraw/zinc/34/71/74/378347174.db2.gz GFYWMSWBPPTBBX-BMFZPTHFSA-N 2 2 260.381 1.786 20 30 CDEDLP CN1CC[NH+]=C1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000262639629 391804895 /nfs/dbraw/zinc/80/48/95/391804895.db2.gz HMVAAPUHRPSJGP-ZDUSSCGKSA-N 2 2 276.384 1.698 20 30 CDEDLP Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C#N)c[nH+]1 ZINC000520399485 392854591 /nfs/dbraw/zinc/85/45/91/392854591.db2.gz IFBFTLLMARYTAU-DGCLKSJQSA-N 2 2 256.353 1.721 20 30 CDEDLP Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C#N)c[nH+]1 ZINC000520399485 392854595 /nfs/dbraw/zinc/85/45/95/392854595.db2.gz IFBFTLLMARYTAU-DGCLKSJQSA-N 2 2 256.353 1.721 20 30 CDEDLP CN(C(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000273357470 263015894 /nfs/dbraw/zinc/01/58/94/263015894.db2.gz RXXRRYDUKAYKBJ-UHFFFAOYSA-N 2 2 272.396 1.454 20 30 CDEDLP CN(C(=[NH2+])NCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000273357470 263015895 /nfs/dbraw/zinc/01/58/95/263015895.db2.gz RXXRRYDUKAYKBJ-UHFFFAOYSA-N 2 2 272.396 1.454 20 30 CDEDLP CN(C(=[NH2+])NCCCCNc1cccc[nH+]1)C1CC1 ZINC000273367012 263015981 /nfs/dbraw/zinc/01/59/81/263015981.db2.gz UWTGCCPPOLHUQX-UHFFFAOYSA-N 2 2 261.373 1.683 20 30 CDEDLP CCNC(=[NH2+])NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277280027 263040460 /nfs/dbraw/zinc/04/04/60/263040460.db2.gz JZAIIEKNQHOFPE-AWEZNQCLSA-N 2 2 292.452 1.528 20 30 CDEDLP CCNC(=[NH2+])NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277280027 263040461 /nfs/dbraw/zinc/04/04/61/263040461.db2.gz JZAIIEKNQHOFPE-AWEZNQCLSA-N 2 2 292.452 1.528 20 30 CDEDLP CC[NH+]=C(NCC(F)F)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261947033 328143321 /nfs/dbraw/zinc/14/33/21/328143321.db2.gz GFGAVGXFCKGKEI-NEPJUHHUSA-N 2 2 299.369 1.997 20 30 CDEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000578761736 324017674 /nfs/dbraw/zinc/01/76/74/324017674.db2.gz OLKMTOCYHRVSGO-SFHVURJKSA-N 2 2 299.418 1.960 20 30 CDEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000578761736 324017679 /nfs/dbraw/zinc/01/76/79/324017679.db2.gz OLKMTOCYHRVSGO-SFHVURJKSA-N 2 2 299.418 1.960 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000578761736 324017681 /nfs/dbraw/zinc/01/76/81/324017681.db2.gz OLKMTOCYHRVSGO-SFHVURJKSA-N 2 2 299.418 1.960 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000578761736 324017683 /nfs/dbraw/zinc/01/76/83/324017683.db2.gz OLKMTOCYHRVSGO-SFHVURJKSA-N 2 2 299.418 1.960 20 30 CDEDLP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1cc(Cl)cn1C ZINC000262006007 329996590 /nfs/dbraw/zinc/99/65/90/329996590.db2.gz VPZAPZCRGXISDJ-UHFFFAOYSA-N 2 2 297.834 1.391 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000685000798 483064564 /nfs/dbraw/zinc/06/45/64/483064564.db2.gz XMMJTEQHVYANLJ-UONOGXRCSA-N 2 2 274.368 1.307 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000685000798 483064569 /nfs/dbraw/zinc/06/45/69/483064569.db2.gz XMMJTEQHVYANLJ-UONOGXRCSA-N 2 2 274.368 1.307 20 30 CDEDLP C#CCOc1ccc(C[NH2+]CC[N@H+](CC)CCO)cc1 ZINC000184537888 518326614 /nfs/dbraw/zinc/32/66/14/518326614.db2.gz YUMIDOIKCWZSOW-UHFFFAOYSA-N 2 2 276.380 1.102 20 30 CDEDLP C#CCOc1ccc(C[NH2+]CC[N@@H+](CC)CCO)cc1 ZINC000184537888 518326622 /nfs/dbraw/zinc/32/66/22/518326622.db2.gz YUMIDOIKCWZSOW-UHFFFAOYSA-N 2 2 276.380 1.102 20 30 CDEDLP 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CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044749326 845481866 /nfs/dbraw/zinc/48/18/66/845481866.db2.gz IVYPQBGNRYUFGM-VXGBXAGGSA-N 2 2 296.802 1.674 20 30 CDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000847515159 845703665 /nfs/dbraw/zinc/70/36/65/845703665.db2.gz MUPUMNOVAFSVJP-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000847515159 845703677 /nfs/dbraw/zinc/70/36/77/845703677.db2.gz MUPUMNOVAFSVJP-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)[C@@H]2CCCOC2)CC1 ZINC000883187848 845836091 /nfs/dbraw/zinc/83/60/91/845836091.db2.gz XVUYPUQTGCIRQV-ZBFHGGJFSA-N 2 2 282.428 1.668 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002649 845841278 /nfs/dbraw/zinc/84/12/78/845841278.db2.gz VIFXPRWBKDKJIC-LBPRGKRZSA-N 2 2 283.803 1.025 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002649 845841283 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C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877073074 846744947 /nfs/dbraw/zinc/74/49/47/846744947.db2.gz BSDHHXGMRHWLFN-IUODEOHRSA-N 2 2 258.369 1.916 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000923558023 846860091 /nfs/dbraw/zinc/86/00/91/846860091.db2.gz PUEZZJZJXOLLAK-GOEBONIOSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000923558023 846860094 /nfs/dbraw/zinc/86/00/94/846860094.db2.gz PUEZZJZJXOLLAK-GOEBONIOSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000923558023 846860096 /nfs/dbraw/zinc/86/00/96/846860096.db2.gz PUEZZJZJXOLLAK-GOEBONIOSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000923558023 846860104 /nfs/dbraw/zinc/86/01/04/846860104.db2.gz PUEZZJZJXOLLAK-GOEBONIOSA-N 2 2 289.423 1.217 20 30 CDEDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000783299218 846861512 /nfs/dbraw/zinc/86/15/12/846861512.db2.gz AJXROMCOJGLBGT-DOMZBBRYSA-N 2 2 258.369 1.773 20 30 CDEDLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000783299218 846861516 /nfs/dbraw/zinc/86/15/16/846861516.db2.gz AJXROMCOJGLBGT-DOMZBBRYSA-N 2 2 258.369 1.773 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570193 847103833 /nfs/dbraw/zinc/10/38/33/847103833.db2.gz UKALLSQWVBOXPQ-INIZCTEOSA-N 2 2 296.374 1.354 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000798140734 847228163 /nfs/dbraw/zinc/22/81/63/847228163.db2.gz AAUJKOXIUFLVDF-UHFFFAOYSA-N 2 2 282.347 1.618 20 30 CDEDLP [NH2+]=C(NCCCn1cc[nH+]c1)NCCc1ccccc1 ZINC000303717529 847541285 /nfs/dbraw/zinc/54/12/85/847541285.db2.gz UDSFAWRKBSUSQL-UHFFFAOYSA-N 2 2 271.368 1.420 20 30 CDEDLP CCNC(NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)=[NH+]CC ZINC000303379358 847700056 /nfs/dbraw/zinc/70/00/56/847700056.db2.gz QLOUXRVBWQZHPA-STQMWFEESA-N 2 2 284.448 1.449 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001044183444 847748460 /nfs/dbraw/zinc/74/84/60/847748460.db2.gz RGDGSYNYGYWBTI-UONOGXRCSA-N 2 2 279.428 1.435 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCO1 ZINC000848546160 847854766 /nfs/dbraw/zinc/85/47/66/847854766.db2.gz UCZGBYCKTXKDJB-ULQDDVLXSA-N 2 2 292.423 1.400 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001044691652 847892609 /nfs/dbraw/zinc/89/26/09/847892609.db2.gz BJTLCIQKVUAKMN-KGLIPLIRSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502803 847938893 /nfs/dbraw/zinc/93/88/93/847938893.db2.gz CUIVODKPQWZGLX-QWHCGFSZSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502803 847938900 /nfs/dbraw/zinc/93/89/00/847938900.db2.gz CUIVODKPQWZGLX-QWHCGFSZSA-N 2 2 262.357 1.038 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127292266 913588646 /nfs/dbraw/zinc/58/86/46/913588646.db2.gz BANFQDXJASVZOT-UHFFFAOYSA-N 2 2 286.379 1.928 20 30 CDEDLP N#Cc1ccccc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355637 895419284 /nfs/dbraw/zinc/41/92/84/895419284.db2.gz UDTFFIFXCKQOBQ-UHFFFAOYSA-N 2 2 297.362 1.120 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422002 895629969 /nfs/dbraw/zinc/62/99/69/895629969.db2.gz FRLPKBMXXDIHMW-CYBMUJFWSA-N 2 2 290.411 1.650 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422002 895629973 /nfs/dbraw/zinc/62/99/73/895629973.db2.gz FRLPKBMXXDIHMW-CYBMUJFWSA-N 2 2 290.411 1.650 20 30 CDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528862 896708683 /nfs/dbraw/zinc/70/86/83/896708683.db2.gz ONSCWRVOOHPFOU-UHFFFAOYSA-N 2 2 276.384 1.404 20 30 CDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)cc1 ZINC001177402001 914657342 /nfs/dbraw/zinc/65/73/42/914657342.db2.gz ZOCJBCJHFPEWSH-UHFFFAOYSA-N 2 2 297.362 1.051 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985659 905010430 /nfs/dbraw/zinc/01/04/30/905010430.db2.gz YZLZPGSJVWGQBD-QXULXFAOSA-N 2 2 274.412 1.189 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985659 905010452 /nfs/dbraw/zinc/01/04/52/905010452.db2.gz YZLZPGSJVWGQBD-QXULXFAOSA-N 2 2 274.412 1.189 20 30 CDEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@H](C)[NH3+])C2)C1 ZINC001205000541 905923103 /nfs/dbraw/zinc/92/31/03/905923103.db2.gz GRTSVCUOIQZCAX-DZGCQCFKSA-N 2 2 281.400 1.444 20 30 CDEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@H](C)[NH3+])C2)C1 ZINC001205000541 905923119 /nfs/dbraw/zinc/92/31/19/905923119.db2.gz GRTSVCUOIQZCAX-DZGCQCFKSA-N 2 2 281.400 1.444 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087950175 906049509 /nfs/dbraw/zinc/04/95/09/906049509.db2.gz FNWBNMXFYDCPJZ-KGLIPLIRSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087950175 906049519 /nfs/dbraw/zinc/04/95/19/906049519.db2.gz FNWBNMXFYDCPJZ-KGLIPLIRSA-N 2 2 288.395 1.309 20 30 CDEDLP C=C(Cl)C[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989475544 908902511 /nfs/dbraw/zinc/90/25/11/908902511.db2.gz ZSFIPVYADNQZPF-CQSZACIVSA-N 2 2 299.846 1.615 20 30 CDEDLP C=C(Cl)C[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000989475544 908902527 /nfs/dbraw/zinc/90/25/27/908902527.db2.gz ZSFIPVYADNQZPF-CQSZACIVSA-N 2 2 299.846 1.615 20 30 CDEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989475544 908902536 /nfs/dbraw/zinc/90/25/36/908902536.db2.gz ZSFIPVYADNQZPF-CQSZACIVSA-N 2 2 299.846 1.615 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989475544 908902547 /nfs/dbraw/zinc/90/25/47/908902547.db2.gz ZSFIPVYADNQZPF-CQSZACIVSA-N 2 2 299.846 1.615 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(F)c1 ZINC001206173719 911845077 /nfs/dbraw/zinc/84/50/77/911845077.db2.gz JRZBHLBQKLBLHD-TZMCWYRMSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(F)c1 ZINC001206173719 911845086 /nfs/dbraw/zinc/84/50/86/911845086.db2.gz JRZBHLBQKLBLHD-TZMCWYRMSA-N 2 2 265.307 1.959 20 30 CDEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206186457 912123377 /nfs/dbraw/zinc/12/33/77/912123377.db2.gz QSLNQFJFRBJMMP-KGLIPLIRSA-N 2 2 277.343 1.828 20 30 CDEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206186457 912123390 /nfs/dbraw/zinc/12/33/90/912123390.db2.gz QSLNQFJFRBJMMP-KGLIPLIRSA-N 2 2 277.343 1.828 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001095007967 912155482 /nfs/dbraw/zinc/15/54/82/912155482.db2.gz YOHNDAFSCMFRIX-YDHLFZDLSA-N 2 2 288.395 1.497 20 30 CDEDLP C#CCC[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179901570 916047534 /nfs/dbraw/zinc/04/75/34/916047534.db2.gz BCHCPDVZYZPJMY-UHFFFAOYSA-N 2 2 276.384 1.242 20 30 CDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180279658 916251745 /nfs/dbraw/zinc/25/17/45/916251745.db2.gz JGRYORDOQWTUGL-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052972771 936406406 /nfs/dbraw/zinc/40/64/06/936406406.db2.gz VPQZAJDEPLHGGH-CYBMUJFWSA-N 2 2 296.802 1.606 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052972771 936406409 /nfs/dbraw/zinc/40/64/09/936406409.db2.gz VPQZAJDEPLHGGH-CYBMUJFWSA-N 2 2 296.802 1.606 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078167 917976770 /nfs/dbraw/zinc/97/67/70/917976770.db2.gz BMHFZFPZILGXDG-ZIAGYGMSSA-N 2 2 276.384 1.143 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078762208 920456771 /nfs/dbraw/zinc/45/67/71/920456771.db2.gz YAWBDORSSIEPMF-OLZOCXBDSA-N 2 2 288.395 1.545 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033616872 922287027 /nfs/dbraw/zinc/28/70/27/922287027.db2.gz NCONOQWUIRESEV-ZDUSSCGKSA-N 2 2 276.384 1.369 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033616872 922287039 /nfs/dbraw/zinc/28/70/39/922287039.db2.gz NCONOQWUIRESEV-ZDUSSCGKSA-N 2 2 276.384 1.369 20 30 CDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100918346 936944947 /nfs/dbraw/zinc/94/49/47/936944947.db2.gz QARNRVJTZAQZCK-UHFFFAOYSA-N 2 2 296.802 1.498 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@H+]2CCC[NH+](C)C)C1=O ZINC001273711874 924807775 /nfs/dbraw/zinc/80/77/75/924807775.db2.gz LMHBXFBSXNNISE-HNNXBMFYSA-N 2 2 265.401 1.191 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@@H+]2CCC[NH+](C)C)C1=O ZINC001273711874 924807780 /nfs/dbraw/zinc/80/77/80/924807780.db2.gz LMHBXFBSXNNISE-HNNXBMFYSA-N 2 2 265.401 1.191 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001410492536 925822773 /nfs/dbraw/zinc/82/27/73/925822773.db2.gz LZFKMAZMJZQPJJ-NSHDSACASA-N 2 2 284.791 1.152 20 30 CDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102413588 937057553 /nfs/dbraw/zinc/05/75/53/937057553.db2.gz MWABZFKBFCRGIC-RBSFLKMASA-N 2 2 290.411 1.704 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102413588 937057557 /nfs/dbraw/zinc/05/75/57/937057557.db2.gz MWABZFKBFCRGIC-RBSFLKMASA-N 2 2 290.411 1.704 20 30 CDEDLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1CC#N ZINC001169073722 927690955 /nfs/dbraw/zinc/69/09/55/927690955.db2.gz AFILUXPYFAAXGW-CYBMUJFWSA-N 2 2 270.336 1.109 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001253188263 929902461 /nfs/dbraw/zinc/90/24/61/929902461.db2.gz UDQDQVZSQMCFRN-ZIAGYGMSSA-N 2 2 253.390 1.315 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001253188263 929902471 /nfs/dbraw/zinc/90/24/71/929902471.db2.gz UDQDQVZSQMCFRN-ZIAGYGMSSA-N 2 2 253.390 1.315 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944745 930552539 /nfs/dbraw/zinc/55/25/39/930552539.db2.gz OWUYPGNHHXVFAX-VXGBXAGGSA-N 2 2 298.818 1.588 20 30 CDEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031226 930610359 /nfs/dbraw/zinc/61/03/59/930610359.db2.gz HPUZETQEPOBALV-NEPJUHHUSA-N 2 2 276.384 1.157 20 30 CDEDLP CC[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)C[C@H](CC)[NH2+]1 ZINC001246596988 932049217 /nfs/dbraw/zinc/04/92/17/932049217.db2.gz ZYYIUFVIAILDJY-XJFOESAGSA-N 2 2 250.390 1.093 20 30 CDEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001171232775 932070376 /nfs/dbraw/zinc/07/03/76/932070376.db2.gz WIYLSHFUJMOUMZ-OAHLLOKOSA-N 2 2 298.434 1.421 20 30 CDEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146759417 932306942 /nfs/dbraw/zinc/30/69/42/932306942.db2.gz VZVODSABEDCSMO-UONOGXRCSA-N 2 2 278.400 1.722 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001043464051 935839560 /nfs/dbraw/zinc/83/95/60/935839560.db2.gz MOXAZWVIQHAJSC-INIZCTEOSA-N 2 2 289.423 1.027 20 30 CDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001121500992 937874256 /nfs/dbraw/zinc/87/42/56/937874256.db2.gz NKXMQHZDZRIFKD-UHFFFAOYSA-N 2 2 288.395 1.476 20 30 CDEDLP C[NH+](C)C1(CNc2nccc(C#N)c2F)CC[NH+](C)CC1 ZINC001156182127 938330676 /nfs/dbraw/zinc/33/06/76/938330676.db2.gz OCBFEDVDOMMVKQ-UHFFFAOYSA-N 2 2 291.374 1.530 20 30 CDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293248 938475944 /nfs/dbraw/zinc/47/59/44/938475944.db2.gz DQKFNBSPTYHORE-CYBMUJFWSA-N 2 2 264.373 1.286 20 30 CDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293248 938475947 /nfs/dbraw/zinc/47/59/47/938475947.db2.gz DQKFNBSPTYHORE-CYBMUJFWSA-N 2 2 264.373 1.286 20 30 CDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161553501 938911789 /nfs/dbraw/zinc/91/17/89/938911789.db2.gz BDQQPBVLWYSYKX-UHFFFAOYSA-N 2 2 286.379 1.114 20 30 CDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161553501 938911790 /nfs/dbraw/zinc/91/17/90/938911790.db2.gz BDQQPBVLWYSYKX-UHFFFAOYSA-N 2 2 286.379 1.114 20 30 CDEDLP C#CCC[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427210 939052859 /nfs/dbraw/zinc/05/28/59/939052859.db2.gz FRHGCHJSBYPAFG-UHFFFAOYSA-N 2 2 270.336 1.067 20 30 CDEDLP C[NH+](C)C1(CNc2ncccc2CC#N)CC[NH+](C)CC1 ZINC001164207485 939429886 /nfs/dbraw/zinc/42/98/86/939429886.db2.gz YANFSVALTLCINI-UHFFFAOYSA-N 2 2 287.411 1.586 20 30 CDEDLP C[NH+]1CCN(c2cccc(N3CCC[C@@H](CC#N)C3)[nH+]2)CC1 ZINC001165076144 939507729 /nfs/dbraw/zinc/50/77/29/939507729.db2.gz CLEGVNHSPJIBBC-HNNXBMFYSA-N 2 2 299.422 1.963 20 30 CDEDLP Cc1[nH+]c2c(n1-c1nnc(Cl)cc1C#N)CC[NH2+]CC2 ZINC001165352496 939550343 /nfs/dbraw/zinc/55/03/43/939550343.db2.gz VXSOBRFOGJIOLJ-UHFFFAOYSA-N 2 2 288.742 1.184 20 30 CDEDLP COc1cc(C#N)nc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)c1 ZINC001165353675 939550614 /nfs/dbraw/zinc/55/06/14/939550614.db2.gz UXBXVLXZOWVUMP-UHFFFAOYSA-N 2 2 283.335 1.144 20 30 CDEDLP N#CCc1cc[nH+]c(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c1 ZINC001165432585 939564332 /nfs/dbraw/zinc/56/43/32/939564332.db2.gz KGDKOVYZHDDBFS-CHWSQXEVSA-N 2 2 274.343 1.661 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533992 940055816 /nfs/dbraw/zinc/05/58/16/940055816.db2.gz VXVLTZDSIJYEOF-ZDUSSCGKSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533992 940055817 /nfs/dbraw/zinc/05/58/17/940055817.db2.gz VXVLTZDSIJYEOF-ZDUSSCGKSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)OCC ZINC001209014317 940423625 /nfs/dbraw/zinc/42/36/25/940423625.db2.gz DOCHZLQIMUDFDX-UHFFFAOYSA-N 2 2 283.416 1.657 20 30 CDEDLP C=CCN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)OCC ZINC001209014317 940423627 /nfs/dbraw/zinc/42/36/27/940423627.db2.gz DOCHZLQIMUDFDX-UHFFFAOYSA-N 2 2 283.416 1.657 20 30 CDEDLP C#CCCC[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001209266396 940454950 /nfs/dbraw/zinc/45/49/50/940454950.db2.gz XNKUHWAWMVBICO-UHFFFAOYSA-N 2 2 258.369 1.629 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814205 940840062 /nfs/dbraw/zinc/84/00/62/940840062.db2.gz KINZYCDNRHMIPP-TZMCWYRMSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814205 940840066 /nfs/dbraw/zinc/84/00/66/940840066.db2.gz KINZYCDNRHMIPP-TZMCWYRMSA-N 2 2 276.384 1.355 20 30 CDEDLP N#Cc1ccc(CCCN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492545 941602414 /nfs/dbraw/zinc/60/24/14/941602414.db2.gz ZTBALYBUIBRSEH-ROUUACIJSA-N 2 2 298.434 1.517 20 30 CDEDLP CC(C)[NH+]1CCC([NH2+]Cc2cncc(C#N)c2)CC1 ZINC000721572913 942750074 /nfs/dbraw/zinc/75/00/74/942750074.db2.gz QRNGADBGBAHYSI-UHFFFAOYSA-N 2 2 258.369 1.916 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232681305 943362723 /nfs/dbraw/zinc/36/27/23/943362723.db2.gz PEXYTJOWXCNAQH-GASCZTMLSA-N 2 2 271.364 1.647 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232681305 943362732 /nfs/dbraw/zinc/36/27/32/943362732.db2.gz PEXYTJOWXCNAQH-GASCZTMLSA-N 2 2 271.364 1.647 20 30 CDEDLP Cn1cc(C[NH+]2CC3(C2)CC[NH+](CCC#N)CC3)cc1C#N ZINC001277939604 944133476 /nfs/dbraw/zinc/13/34/76/944133476.db2.gz ZVPGAVDIWQNFNG-UHFFFAOYSA-N 2 2 297.406 1.708 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001265296624 944325894 /nfs/dbraw/zinc/32/58/94/944325894.db2.gz ANIGOCHIKLOETP-ZDUSSCGKSA-N 2 2 262.357 1.040 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001265296624 944325903 /nfs/dbraw/zinc/32/59/03/944325903.db2.gz ANIGOCHIKLOETP-ZDUSSCGKSA-N 2 2 262.357 1.040 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001236028700 944383708 /nfs/dbraw/zinc/38/37/08/944383708.db2.gz MUERYURFCCRTFV-HOCLYGCPSA-N 2 2 270.380 1.569 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001236028700 944383711 /nfs/dbraw/zinc/38/37/11/944383711.db2.gz MUERYURFCCRTFV-HOCLYGCPSA-N 2 2 270.380 1.569 20 30 CDEDLP N#Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cn1 ZINC001241428268 946265843 /nfs/dbraw/zinc/26/58/43/946265843.db2.gz LIMNMJNVTUTMDN-UHFFFAOYSA-N 2 2 275.315 1.955 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246029876 947911278 /nfs/dbraw/zinc/91/12/78/947911278.db2.gz DDOFQFBYLHHDGA-LSDHHAIUSA-N 2 2 272.433 1.364 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246029876 947911286 /nfs/dbraw/zinc/91/12/86/947911286.db2.gz DDOFQFBYLHHDGA-LSDHHAIUSA-N 2 2 272.433 1.364 20 30 CDEDLP C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246146932 947988632 /nfs/dbraw/zinc/98/86/32/947988632.db2.gz OXXJVPBXTZMIDV-KGLIPLIRSA-N 3 2 264.417 1.533 20 30 CDEDLP C[C@H]1C[C@@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC[NH2+]1 ZINC001246831237 948464283 /nfs/dbraw/zinc/46/42/83/948464283.db2.gz CQPDYLPJFHGBDG-ZFWWWQNUSA-N 2 2 285.395 1.216 20 30 CDEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@@H](C(=O)OC)[C@H]([NH3+])C3)C[C@H](C1)C2 ZINC001246928744 948523965 /nfs/dbraw/zinc/52/39/65/948523965.db2.gz AGLZYOWJAWBFIY-JSPOSNOBSA-N 2 2 278.396 1.553 20 30 CDEDLP C=C1C[C@@H]2CC([N@H+]3C[C@@H](C(=O)OC)[C@H]([NH3+])C3)C[C@H](C1)C2 ZINC001246928744 948523970 /nfs/dbraw/zinc/52/39/70/948523970.db2.gz AGLZYOWJAWBFIY-JSPOSNOBSA-N 2 2 278.396 1.553 20 30 CDEDLP C=C[C@H](O)C[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001253581467 951970457 /nfs/dbraw/zinc/97/04/57/951970457.db2.gz CMWDTDFZRFJLPE-GJZGRUSLSA-N 2 2 268.401 1.109 20 30 CDEDLP C=C[C@H](O)C[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001253581467 951970460 /nfs/dbraw/zinc/97/04/60/951970460.db2.gz CMWDTDFZRFJLPE-GJZGRUSLSA-N 2 2 268.401 1.109 20 30 CDEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001353245044 967816873 /nfs/dbraw/zinc/81/68/73/967816873.db2.gz BZYAFZGFUHIBEV-CHWSQXEVSA-N 2 2 253.390 1.361 20 30 CDEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001353245044 967816888 /nfs/dbraw/zinc/81/68/88/967816888.db2.gz BZYAFZGFUHIBEV-CHWSQXEVSA-N 2 2 253.390 1.361 20 30 CDEDLP CN1CCC[NH+]=C1NCCCCNc1cccc[nH+]1 ZINC000849001417 969394679 /nfs/dbraw/zinc/39/46/79/969394679.db2.gz YFCHIYQKVISMJD-UHFFFAOYSA-N 2 2 261.373 1.555 20 30 CDEDLP N#CCCN1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC000601315870 342552361 /nfs/dbraw/zinc/55/23/61/342552361.db2.gz DXKIGJBSDBOWSM-UHFFFAOYSA-N 2 2 262.401 1.144 20 30 CDEDLP Cn1cc(C[NH2+]CCCCn2cc[nH+]c2)cc1C#N ZINC000232315055 342005835 /nfs/dbraw/zinc/00/58/35/342005835.db2.gz AVCMCMHSXJJFQN-UHFFFAOYSA-N 2 2 257.341 1.663 20 30 CDEDLP C[NH+](C)[C@@]1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CCSC1 ZINC000598724946 343885585 /nfs/dbraw/zinc/88/55/85/343885585.db2.gz MQKARMJHEWTLSF-TZMCWYRMSA-N 2 2 285.457 1.314 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCn1cc[nH+]c1 ZINC000602504235 344456661 /nfs/dbraw/zinc/45/66/61/344456661.db2.gz NZSKQEKCGFFPSB-CQSZACIVSA-N 2 2 276.384 1.962 20 30 CDEDLP CC#CC[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000641768710 365835662 /nfs/dbraw/zinc/83/56/62/365835662.db2.gz GLGYIUBGGVCMRR-NXHRZFHOSA-N 2 2 286.419 1.871 20 30 CDEDLP CC#CC[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000641768710 365835666 /nfs/dbraw/zinc/83/56/66/365835666.db2.gz GLGYIUBGGVCMRR-NXHRZFHOSA-N 2 2 286.419 1.871 20 30 CDEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602479400 350113201 /nfs/dbraw/zinc/11/32/01/350113201.db2.gz KFIITKQLFPCGND-CYBMUJFWSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602479400 350113205 /nfs/dbraw/zinc/11/32/05/350113205.db2.gz KFIITKQLFPCGND-CYBMUJFWSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602479400 350113209 /nfs/dbraw/zinc/11/32/09/350113209.db2.gz KFIITKQLFPCGND-CYBMUJFWSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602479400 350113212 /nfs/dbraw/zinc/11/32/12/350113212.db2.gz KFIITKQLFPCGND-CYBMUJFWSA-N 2 2 258.369 1.727 20 30 CDEDLP CC(C)CNC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264063636 362955321 /nfs/dbraw/zinc/95/53/21/362955321.db2.gz DOGOMRILDAJTTA-AWEZNQCLSA-N 2 2 280.391 1.989 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000264106133 362968124 /nfs/dbraw/zinc/96/81/24/362968124.db2.gz PMMHZWQLOODFNL-LBPRGKRZSA-N 2 2 264.373 1.753 20 30 CDEDLP CCNC(=[NH2+])NCCCn1c(C)[nH+]c2ccccc21 ZINC000264135987 362975597 /nfs/dbraw/zinc/97/55/97/362975597.db2.gz VESJPIQHPKIFHH-UHFFFAOYSA-N 2 2 259.357 1.659 20 30 CDEDLP Cn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000336327761 356151847 /nfs/dbraw/zinc/15/18/47/356151847.db2.gz YEBOGLZEHYBKBD-LBPRGKRZSA-N 2 2 255.325 1.198 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)CC[C@H]2CCC[NH+]2C)C1=O ZINC000337225805 360037076 /nfs/dbraw/zinc/03/70/76/360037076.db2.gz OUUZKWMDHRIFHP-ZIAGYGMSSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)CC[C@H]2CCC[NH+]2C)C1=O ZINC000337225805 360037082 /nfs/dbraw/zinc/03/70/82/360037082.db2.gz OUUZKWMDHRIFHP-ZIAGYGMSSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000337225805 360037087 /nfs/dbraw/zinc/03/70/87/360037087.db2.gz OUUZKWMDHRIFHP-ZIAGYGMSSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)CC[C@H]2CCC[N@H+]2C)C1=O ZINC000337225805 360037089 /nfs/dbraw/zinc/03/70/89/360037089.db2.gz OUUZKWMDHRIFHP-ZIAGYGMSSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCCCC1 ZINC000093173554 360291873 /nfs/dbraw/zinc/29/18/73/360291873.db2.gz MTWRZSPELUTYFT-UHFFFAOYSA-N 2 2 293.455 1.829 20 30 CDEDLP C=CC[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCCCC1 ZINC000093173554 360291876 /nfs/dbraw/zinc/29/18/76/360291876.db2.gz MTWRZSPELUTYFT-UHFFFAOYSA-N 2 2 293.455 1.829 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000562300116 361236324 /nfs/dbraw/zinc/23/63/24/361236324.db2.gz FWXLBSNHJLUZQW-KGLIPLIRSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000562300116 361236329 /nfs/dbraw/zinc/23/63/29/361236329.db2.gz FWXLBSNHJLUZQW-KGLIPLIRSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000562300116 361236333 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CDEDLP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](C#N)CCC#N)CCCO1 ZINC000573318346 371498701 /nfs/dbraw/zinc/49/87/01/371498701.db2.gz WSJNCQTXBHXJFR-GJZGRUSLSA-N 2 2 278.400 1.520 20 30 CDEDLP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](C#N)CCC#N)CCCO1 ZINC000573318346 371498704 /nfs/dbraw/zinc/49/87/04/371498704.db2.gz WSJNCQTXBHXJFR-GJZGRUSLSA-N 2 2 278.400 1.520 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000183832989 372645384 /nfs/dbraw/zinc/64/53/84/372645384.db2.gz JNDDTYDHHJJWMF-ZDUSSCGKSA-N 2 2 258.369 1.795 20 30 CDEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c1C ZINC000420282024 376319824 /nfs/dbraw/zinc/31/98/24/376319824.db2.gz AZPCICDWCWDVGL-AWEZNQCLSA-N 2 2 275.396 1.754 20 30 CDEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c1C ZINC000420282024 376319831 /nfs/dbraw/zinc/31/98/31/376319831.db2.gz AZPCICDWCWDVGL-AWEZNQCLSA-N 2 2 275.396 1.754 20 30 CDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246393471 376655285 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C=CCOCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000339021466 391243202 /nfs/dbraw/zinc/24/32/02/391243202.db2.gz KGUYGFQWDGWOLL-UHFFFAOYSA-N 2 2 261.369 1.715 20 30 CDEDLP C#CC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000267231587 392095830 /nfs/dbraw/zinc/09/58/30/392095830.db2.gz COHHFWZSONINJQ-UHFFFAOYSA-N 2 2 299.418 1.286 20 30 CDEDLP C#CC[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000267231587 392095834 /nfs/dbraw/zinc/09/58/34/392095834.db2.gz COHHFWZSONINJQ-UHFFFAOYSA-N 2 2 299.418 1.286 20 30 CDEDLP C=CCC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521031017 262199656 /nfs/dbraw/zinc/19/96/56/262199656.db2.gz MNPHBKONCAMYCT-QLFBSQMISA-N 2 2 284.444 1.648 20 30 CDEDLP C=CCC(C)(C)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521031017 262199657 /nfs/dbraw/zinc/19/96/57/262199657.db2.gz MNPHBKONCAMYCT-QLFBSQMISA-N 2 2 284.444 1.648 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000301492763 262201548 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N#Cc1cccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000578878433 324046294 /nfs/dbraw/zinc/04/62/94/324046294.db2.gz VKYSWNOPISPUMM-IAGOWNOFSA-N 2 2 285.391 1.457 20 30 CDEDLP C#CCC[NH+]1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000301715387 328829820 /nfs/dbraw/zinc/82/98/20/328829820.db2.gz ZZXCVFLRGIRIKV-UHFFFAOYSA-N 2 2 258.369 1.547 20 30 CDEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC[C@H]1CCc2ccccc21 ZINC000174047638 329153919 /nfs/dbraw/zinc/15/39/19/329153919.db2.gz QVAMHNMXPRKROD-OAHLLOKOSA-N 2 2 297.406 1.778 20 30 CDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)NC(C)(C)C ZINC000262335141 330006604 /nfs/dbraw/zinc/00/66/04/330006604.db2.gz BQPCMJBIFPOUPD-UHFFFAOYSA-N 2 2 272.462 1.389 20 30 CDEDLP CC[C@H](C)[NH2+][C@H](CNC1=[NH+]CCN1C)c1ccco1 ZINC000262201984 330003928 /nfs/dbraw/zinc/00/39/28/330003928.db2.gz AYFTVNKGGASEJN-NWDGAFQWSA-N 2 2 264.373 1.600 20 30 CDEDLP CC[C@@H](C)[NH2+][C@@H](CNC1=[NH+]CCCN1C)c1ccco1 ZINC000263053989 330040983 /nfs/dbraw/zinc/04/09/83/330040983.db2.gz DTPHNEUVXUTKOZ-OLZOCXBDSA-N 2 2 278.400 1.990 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000422974560 330164687 /nfs/dbraw/zinc/16/46/87/330164687.db2.gz FIIJYHADWLGLIZ-GDBMZVCRSA-N 3 2 281.444 1.384 20 30 CDEDLP C=CCn1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000424292808 330335182 /nfs/dbraw/zinc/33/51/82/330335182.db2.gz HLZXCTUGTFXOBD-UHFFFAOYSA-N 2 2 298.394 1.618 20 30 CDEDLP C[N@@H+]1CCC[C@H]1CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000089614767 330386601 /nfs/dbraw/zinc/38/66/01/330386601.db2.gz NPXULUZYQNEMJI-INIZCTEOSA-N 2 2 294.443 1.019 20 30 CDEDLP C[N@H+]1CCC[C@H]1CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000089614767 330386602 /nfs/dbraw/zinc/38/66/02/330386602.db2.gz NPXULUZYQNEMJI-INIZCTEOSA-N 2 2 294.443 1.019 20 30 CDEDLP C#CCNC(=O)C1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000491628876 332252155 /nfs/dbraw/zinc/25/21/55/332252155.db2.gz LQCPATPJZFLZMM-UHFFFAOYSA-N 2 2 299.418 1.784 20 30 CDEDLP C=CC[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179306504 335486466 /nfs/dbraw/zinc/48/64/66/335486466.db2.gz BQIGDNIJGJMEET-CYBMUJFWSA-N 2 2 282.432 1.276 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001754495140 1159245888 /nfs/dbraw/zinc/24/58/88/1159245888.db2.gz GFPPUUIURHWBPL-CQSZACIVSA-N 2 2 290.411 1.773 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001754495140 1159245893 /nfs/dbraw/zinc/24/58/93/1159245893.db2.gz GFPPUUIURHWBPL-CQSZACIVSA-N 2 2 290.411 1.773 20 30 CDEDLP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001752157404 1159456263 /nfs/dbraw/zinc/45/62/63/1159456263.db2.gz PTGCZBFBWOONCL-HUUCEWRRSA-N 2 2 288.395 1.266 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228534055 1160441762 /nfs/dbraw/zinc/44/17/62/1160441762.db2.gz ABLHADATNQSEHM-UHFFFAOYSA-N 2 2 276.384 1.430 20 30 CDEDLP CCC#C[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000677802473 482786919 /nfs/dbraw/zinc/78/69/19/482786919.db2.gz LINNVNOGSYTDHL-CABCVRRESA-N 2 2 250.386 1.442 20 30 CDEDLP CCC#C[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000677802473 482786925 /nfs/dbraw/zinc/78/69/25/482786925.db2.gz LINNVNOGSYTDHL-CABCVRRESA-N 2 2 250.386 1.442 20 30 CDEDLP C#CC[NH+]1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387423 1160975024 /nfs/dbraw/zinc/97/50/24/1160975024.db2.gz INLUJRSFSNOAHZ-UHFFFAOYSA-N 2 2 261.413 1.112 20 30 CDEDLP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C#N ZINC000767689076 576220359 /nfs/dbraw/zinc/22/03/59/576220359.db2.gz LCJPHQZDGAJKLI-DLBZAZTESA-N 2 2 285.391 1.820 20 30 CDEDLP Cc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1C#N ZINC000767689076 576220361 /nfs/dbraw/zinc/22/03/61/576220361.db2.gz LCJPHQZDGAJKLI-DLBZAZTESA-N 2 2 285.391 1.820 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CC(C)C)CC1 ZINC000748816651 576926794 /nfs/dbraw/zinc/92/67/94/576926794.db2.gz UIMMFXJHYRFBHC-MRXNPFEDSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CC(C)C)CC1 ZINC000748816651 576926796 /nfs/dbraw/zinc/92/67/96/576926796.db2.gz UIMMFXJHYRFBHC-MRXNPFEDSA-N 2 2 291.439 1.274 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981416438 613347775 /nfs/dbraw/zinc/34/77/75/613347775.db2.gz GSFIMYCOBXNPKQ-OLZOCXBDSA-N 2 2 276.384 1.545 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970008390 613348747 /nfs/dbraw/zinc/34/87/47/613348747.db2.gz XVUWGODJKZLPNS-MGPQQGTHSA-N 2 2 288.395 1.290 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971795488 613370318 /nfs/dbraw/zinc/37/03/18/613370318.db2.gz SEJTZOMPDWVAPB-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971795488 613370319 /nfs/dbraw/zinc/37/03/19/613370319.db2.gz SEJTZOMPDWVAPB-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971795488 613370320 /nfs/dbraw/zinc/37/03/20/613370320.db2.gz SEJTZOMPDWVAPB-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP 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C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001574902833 1171043545 /nfs/dbraw/zinc/04/35/45/1171043545.db2.gz HQCPJRIBMGIZNP-QLFBSQMISA-N 2 2 290.411 1.976 20 30 CDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC001580066536 1172340339 /nfs/dbraw/zinc/34/03/39/1172340339.db2.gz MVIWJARYQXESDT-ZOBUZTSGSA-N 2 2 298.390 1.145 20 30 CDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC001580066536 1172340346 /nfs/dbraw/zinc/34/03/46/1172340346.db2.gz MVIWJARYQXESDT-ZOBUZTSGSA-N 2 2 298.390 1.145 20 30 CDEDLP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753358288 1184444362 /nfs/dbraw/zinc/44/43/62/1184444362.db2.gz NRLWMKNIKJTFQG-AWEZNQCLSA-N 2 2 290.411 1.617 20 30 CDEDLP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753358288 1184444364 /nfs/dbraw/zinc/44/43/64/1184444364.db2.gz NRLWMKNIKJTFQG-AWEZNQCLSA-N 2 2 290.411 1.617 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001753445144 1184541617 /nfs/dbraw/zinc/54/16/17/1184541617.db2.gz GIZMWKXWYHLPQF-CABCVRRESA-N 2 2 288.395 1.390 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001753445144 1184541620 /nfs/dbraw/zinc/54/16/20/1184541620.db2.gz GIZMWKXWYHLPQF-CABCVRRESA-N 2 2 288.395 1.390 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001752789750 1184913100 /nfs/dbraw/zinc/91/31/00/1184913100.db2.gz JYSVMHNCBDEOCQ-AWEZNQCLSA-N 2 2 276.384 1.287 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001752789750 1184913106 /nfs/dbraw/zinc/91/31/06/1184913106.db2.gz JYSVMHNCBDEOCQ-AWEZNQCLSA-N 2 2 276.384 1.287 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752809149 1184919570 /nfs/dbraw/zinc/91/95/70/1184919570.db2.gz PDHGOUPFTUNPLN-CYBMUJFWSA-N 2 2 276.384 1.357 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC(=C)Cl)CC1 ZINC001753074264 1185041526 /nfs/dbraw/zinc/04/15/26/1185041526.db2.gz FSMDAOQFKIIZMF-UHFFFAOYSA-N 2 2 297.830 1.132 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC(=C)Cl)CC1 ZINC001753074264 1185041532 /nfs/dbraw/zinc/04/15/32/1185041532.db2.gz FSMDAOQFKIIZMF-UHFFFAOYSA-N 2 2 297.830 1.132 20 30 CDEDLP C=C(C)C[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001753845212 1185354839 /nfs/dbraw/zinc/35/48/39/1185354839.db2.gz WXNCNJSDEIAWHX-CQSZACIVSA-N 2 2 278.400 1.567 20 30 CDEDLP C#CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755505934 1185973881 /nfs/dbraw/zinc/97/38/81/1185973881.db2.gz FAFJEBIGZKLPPM-ZDUSSCGKSA-N 2 2 290.411 1.434 20 30 CDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985816193 697721832 /nfs/dbraw/zinc/72/18/32/697721832.db2.gz LFTWRDNQQXPNCL-UHFFFAOYSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985816193 697721840 /nfs/dbraw/zinc/72/18/40/697721840.db2.gz LFTWRDNQQXPNCL-UHFFFAOYSA-N 2 2 276.384 1.382 20 30 CDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015689747 697749575 /nfs/dbraw/zinc/74/95/75/697749575.db2.gz IOVGKPRFXMASQQ-QWHCGFSZSA-N 2 2 286.379 1.043 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015689747 697749583 /nfs/dbraw/zinc/74/95/83/697749583.db2.gz IOVGKPRFXMASQQ-QWHCGFSZSA-N 2 2 286.379 1.043 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780445 697805201 /nfs/dbraw/zinc/80/52/01/697805201.db2.gz LVGPQJMLTQDUDW-GASCZTMLSA-N 2 2 288.395 1.525 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780445 697805202 /nfs/dbraw/zinc/80/52/02/697805202.db2.gz LVGPQJMLTQDUDW-GASCZTMLSA-N 2 2 288.395 1.525 20 30 CDEDLP C=CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccncc1 ZINC000819074143 697874666 /nfs/dbraw/zinc/87/46/66/697874666.db2.gz MJZRZFZQOZMEQT-HOTGVXAUSA-N 2 2 275.396 1.744 20 30 CDEDLP C=CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccncc1 ZINC000819074143 697874669 /nfs/dbraw/zinc/87/46/69/697874669.db2.gz MJZRZFZQOZMEQT-HOTGVXAUSA-N 2 2 275.396 1.744 20 30 CDEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])N2CCCCC2)C[C@H](C)O1 ZINC000104159010 698047197 /nfs/dbraw/zinc/04/71/97/698047197.db2.gz ALWPKSXPOGRAOC-OKILXGFUSA-N 2 2 296.459 1.675 20 30 CDEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])N2CCCCC2)C[C@H](C)O1 ZINC000104159010 698047204 /nfs/dbraw/zinc/04/72/04/698047204.db2.gz ALWPKSXPOGRAOC-OKILXGFUSA-N 2 2 296.459 1.675 20 30 CDEDLP C[C@H]([NH2+]CCNc1ccc(C#N)cn1)[C@H]1CCC[NH2+]1 ZINC000925893455 698217117 /nfs/dbraw/zinc/21/71/17/698217117.db2.gz OFUMWDWDHNYQCU-WCQYABFASA-N 2 2 259.357 1.095 20 30 CDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001076504946 698280252 /nfs/dbraw/zinc/28/02/52/698280252.db2.gz ZPRXRTRGYJNTRF-DZGCQCFKSA-N 2 2 288.395 1.369 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001076504946 698280268 /nfs/dbraw/zinc/28/02/68/698280268.db2.gz ZPRXRTRGYJNTRF-DZGCQCFKSA-N 2 2 288.395 1.369 20 30 CDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994298009 698313563 /nfs/dbraw/zinc/31/35/63/698313563.db2.gz KBDJAEKUKJGGQO-KBPBESRZSA-N 2 2 288.395 1.253 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994298009 698313565 /nfs/dbraw/zinc/31/35/65/698313565.db2.gz KBDJAEKUKJGGQO-KBPBESRZSA-N 2 2 288.395 1.253 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001044033908 698320835 /nfs/dbraw/zinc/32/08/35/698320835.db2.gz ZWSZGBBOFLIRCM-GDBMZVCRSA-N 2 2 291.439 1.722 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001044033908 698320839 /nfs/dbraw/zinc/32/08/39/698320839.db2.gz ZWSZGBBOFLIRCM-GDBMZVCRSA-N 2 2 291.439 1.722 20 30 CDEDLP C[C@@H]1CNC(NN=C2C[N@H+](Cc3ccccc3)CC[C@H]2C)=[NH+]1 ZINC000779799902 698358061 /nfs/dbraw/zinc/35/80/61/698358061.db2.gz YLGYINKUADOTES-ZIAGYGMSSA-N 2 2 299.422 1.822 20 30 CDEDLP C[C@@H]1CNC(NN=C2C[N@@H+](Cc3ccccc3)CC[C@H]2C)=[NH+]1 ZINC000779799902 698358066 /nfs/dbraw/zinc/35/80/66/698358066.db2.gz YLGYINKUADOTES-ZIAGYGMSSA-N 2 2 299.422 1.822 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001043351090 698744226 /nfs/dbraw/zinc/74/42/26/698744226.db2.gz BQYNPWTZMKQDPP-UHFFFAOYSA-N 2 2 284.363 1.667 20 30 CDEDLP C#CCCCOc1ccc[nH+]c1NC[C@@](C)(O)C[NH+](C)C ZINC000820683247 698774024 /nfs/dbraw/zinc/77/40/24/698774024.db2.gz XNPVRZIEKUBBLK-MRXNPFEDSA-N 2 2 291.395 1.598 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420345 698826010 /nfs/dbraw/zinc/82/60/10/698826010.db2.gz ODCNYRQNRJLMLL-JSGCOSHPSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033420345 698826011 /nfs/dbraw/zinc/82/60/11/698826011.db2.gz ODCNYRQNRJLMLL-JSGCOSHPSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420345 698826013 /nfs/dbraw/zinc/82/60/13/698826013.db2.gz ODCNYRQNRJLMLL-JSGCOSHPSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001354 698832040 /nfs/dbraw/zinc/83/20/40/698832040.db2.gz VYRBNVFUSGTTDO-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001354 698832042 /nfs/dbraw/zinc/83/20/42/698832042.db2.gz VYRBNVFUSGTTDO-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014940099 698871780 /nfs/dbraw/zinc/87/17/80/698871780.db2.gz HZXZBWWWAXERNF-CYBMUJFWSA-N 2 2 282.347 1.390 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014940099 698871781 /nfs/dbraw/zinc/87/17/81/698871781.db2.gz HZXZBWWWAXERNF-CYBMUJFWSA-N 2 2 282.347 1.390 20 30 CDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000999700734 698916283 /nfs/dbraw/zinc/91/62/83/698916283.db2.gz YHKDQQNVVLXBOC-UHFFFAOYSA-N 2 2 290.411 1.842 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000381385438 698941819 /nfs/dbraw/zinc/94/18/19/698941819.db2.gz LPCMHXGWWIUCKP-UHFFFAOYSA-N 2 2 261.325 1.640 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000381385438 698941820 /nfs/dbraw/zinc/94/18/20/698941820.db2.gz LPCMHXGWWIUCKP-UHFFFAOYSA-N 2 2 261.325 1.640 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664570 1163838898 /nfs/dbraw/zinc/83/88/98/1163838898.db2.gz ULVTVJDIMBQITM-LLVKDONJSA-N 2 2 262.357 1.112 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C2CCN(OC)CC2)CC1 ZINC000924983843 704990778 /nfs/dbraw/zinc/99/07/78/704990778.db2.gz KBKKAMDFONOKLO-UHFFFAOYSA-N 2 2 253.390 1.252 20 30 CDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001000336944 705242945 /nfs/dbraw/zinc/24/29/45/705242945.db2.gz PRIFFIBHJOJMOL-KBPBESRZSA-N 2 2 276.384 1.601 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071989285 848606544 /nfs/dbraw/zinc/60/65/44/848606544.db2.gz OKLNFQBHWVKLRA-KGLIPLIRSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071989285 848606553 /nfs/dbraw/zinc/60/65/53/848606553.db2.gz OKLNFQBHWVKLRA-KGLIPLIRSA-N 2 2 290.411 1.508 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192965 848682424 /nfs/dbraw/zinc/68/24/24/848682424.db2.gz ZTWUKBZIHPAQTE-AWEZNQCLSA-N 2 2 296.374 1.733 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192965 848682430 /nfs/dbraw/zinc/68/24/30/848682430.db2.gz ZTWUKBZIHPAQTE-AWEZNQCLSA-N 2 2 296.374 1.733 20 30 CDEDLP C#C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000809685841 849275727 /nfs/dbraw/zinc/27/57/27/849275727.db2.gz UTEOCPQOQAXBLI-LBPRGKRZSA-N 2 2 251.399 1.952 20 30 CDEDLP C=CC[NH+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001050503257 849606634 /nfs/dbraw/zinc/60/66/34/849606634.db2.gz UYEIXPRENISAKH-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036786332 849682936 /nfs/dbraw/zinc/68/29/36/849682936.db2.gz TZVKHTILTKMNLP-GJZGRUSLSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036786332 849682941 /nfs/dbraw/zinc/68/29/41/849682941.db2.gz TZVKHTILTKMNLP-GJZGRUSLSA-N 2 2 288.395 1.382 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994056566 849856452 /nfs/dbraw/zinc/85/64/52/849856452.db2.gz PZHIMEYZDUBKQU-JKSUJKDBSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994056566 849856455 /nfs/dbraw/zinc/85/64/55/849856455.db2.gz PZHIMEYZDUBKQU-JKSUJKDBSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C(=O)OC)C2)CC1 ZINC000886524314 849911145 /nfs/dbraw/zinc/91/11/45/849911145.db2.gz IJBMPBPHUBWUJT-JSGCOSHPSA-N 2 2 266.385 1.568 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999550985 849973664 /nfs/dbraw/zinc/97/36/64/849973664.db2.gz XKXVPTMAIOPZER-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001054630562 850086189 /nfs/dbraw/zinc/08/61/89/850086189.db2.gz XSBOQJFAZLHBDZ-PWSUYJOCSA-N 2 2 296.802 1.531 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476943 850240578 /nfs/dbraw/zinc/24/05/78/850240578.db2.gz ZKQQKKNOGBOGHX-KGLIPLIRSA-N 2 2 274.368 1.134 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476943 850240584 /nfs/dbraw/zinc/24/05/84/850240584.db2.gz ZKQQKKNOGBOGHX-KGLIPLIRSA-N 2 2 274.368 1.134 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167350512 895408198 /nfs/dbraw/zinc/40/81/98/895408198.db2.gz YGVGZQYDQFDSSD-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800810 914323021 /nfs/dbraw/zinc/32/30/21/914323021.db2.gz LELVFAYVGBBTBI-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(C)C(=O)OCCNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001168070317 906655179 /nfs/dbraw/zinc/65/51/79/906655179.db2.gz KBCCDXJURZNRGC-UHFFFAOYSA-N 2 2 290.367 1.022 20 30 CDEDLP C=C(C[NH+]1CCCC1)C(=O)NCCOc1cc[nH+]cc1 ZINC001183091799 918286928 /nfs/dbraw/zinc/28/69/28/918286928.db2.gz OBLGGSJSKDXCEH-UHFFFAOYSA-N 2 2 275.352 1.229 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001184211221 918950759 /nfs/dbraw/zinc/95/07/59/918950759.db2.gz LOSWOVHQKAYJCS-CYBMUJFWSA-N 2 2 282.347 1.162 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001185967842 919834570 /nfs/dbraw/zinc/83/45/70/919834570.db2.gz AZOLCWCCXNVHGH-ZIAGYGMSSA-N 2 2 276.384 1.601 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194283480 924160389 /nfs/dbraw/zinc/16/03/89/924160389.db2.gz CAOJYTKUYKINRA-CYBMUJFWSA-N 2 2 287.835 1.612 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194283480 924160396 /nfs/dbraw/zinc/16/03/96/924160396.db2.gz CAOJYTKUYKINRA-CYBMUJFWSA-N 2 2 287.835 1.612 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194283480 924160404 /nfs/dbraw/zinc/16/04/04/924160404.db2.gz CAOJYTKUYKINRA-CYBMUJFWSA-N 2 2 287.835 1.612 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@@H+]2CCn2cc[nH+]c2)C1=O ZINC001273785766 925870215 /nfs/dbraw/zinc/87/02/15/925870215.db2.gz XTODSGGMFNOSCZ-HNNXBMFYSA-N 2 2 274.368 1.136 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@H+]2CCn2cc[nH+]c2)C1=O ZINC001273785766 925870227 /nfs/dbraw/zinc/87/02/27/925870227.db2.gz XTODSGGMFNOSCZ-HNNXBMFYSA-N 2 2 274.368 1.136 20 30 CDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102451318 937057935 /nfs/dbraw/zinc/05/79/35/937057935.db2.gz VBAPPXCAOLUKGC-MGPQQGTHSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102451318 937057937 /nfs/dbraw/zinc/05/79/37/937057937.db2.gz VBAPPXCAOLUKGC-MGPQQGTHSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102451318 937057939 /nfs/dbraw/zinc/05/79/39/937057939.db2.gz VBAPPXCAOLUKGC-MGPQQGTHSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102451318 937057941 /nfs/dbraw/zinc/05/79/41/937057941.db2.gz VBAPPXCAOLUKGC-MGPQQGTHSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001086366863 927038866 /nfs/dbraw/zinc/03/88/66/927038866.db2.gz OQVRPTRYLFFUEK-CTYIDZIISA-N 2 2 298.390 1.927 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135074433 930033354 /nfs/dbraw/zinc/03/33/54/930033354.db2.gz NKMATISIRMWFQN-STQMWFEESA-N 2 2 278.400 1.412 20 30 CDEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552414 930260490 /nfs/dbraw/zinc/26/04/90/930260490.db2.gz FOVLZCPAQSCTAC-STQMWFEESA-N 2 2 278.400 1.791 20 30 CDEDLP C=CCCC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202666958 930453308 /nfs/dbraw/zinc/45/33/08/930453308.db2.gz DVBYPTMBOWECJL-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135949173 930555211 /nfs/dbraw/zinc/55/52/11/930555211.db2.gz IYIPUMXCCRIQCC-QWHCGFSZSA-N 2 2 278.400 1.412 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246138081 931096267 /nfs/dbraw/zinc/09/62/67/931096267.db2.gz AJFVHPBOJCXUFI-KGLIPLIRSA-N 3 2 251.418 1.805 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111074992 933938167 /nfs/dbraw/zinc/93/81/67/933938167.db2.gz JKEAKFLFNMBTGW-YJNKXOJESA-N 2 2 286.379 1.189 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111074992 933938174 /nfs/dbraw/zinc/93/81/74/933938174.db2.gz JKEAKFLFNMBTGW-YJNKXOJESA-N 2 2 286.379 1.189 20 30 CDEDLP Cc1ccnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1C#N ZINC001158260288 938601551 /nfs/dbraw/zinc/60/15/51/938601551.db2.gz ZYPDPFFZPZHTSD-ZDUSSCGKSA-N 2 2 285.395 1.264 20 30 CDEDLP Cc1ccnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1C#N ZINC001158260288 938601552 /nfs/dbraw/zinc/60/15/52/938601552.db2.gz ZYPDPFFZPZHTSD-ZDUSSCGKSA-N 2 2 285.395 1.264 20 30 CDEDLP N#Cc1cc(F)cnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258615 938601578 /nfs/dbraw/zinc/60/15/78/938601578.db2.gz DPXLOYQYDGKIFZ-CYBMUJFWSA-N 2 2 289.358 1.094 20 30 CDEDLP N#Cc1cc(F)cnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258615 938601580 /nfs/dbraw/zinc/60/15/80/938601580.db2.gz DPXLOYQYDGKIFZ-CYBMUJFWSA-N 2 2 289.358 1.094 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159536846 938738699 /nfs/dbraw/zinc/73/86/99/938738699.db2.gz ADGJXZAFGXHYLP-CYBMUJFWSA-N 2 2 278.400 1.793 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159536846 938738700 /nfs/dbraw/zinc/73/87/00/938738700.db2.gz ADGJXZAFGXHYLP-CYBMUJFWSA-N 2 2 278.400 1.793 20 30 CDEDLP C=CCN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CCCCC1 ZINC001161247966 938883102 /nfs/dbraw/zinc/88/31/02/938883102.db2.gz NYEOFLZLLJNJAB-CJNGLKHVSA-N 2 2 277.412 1.285 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205763471 939933523 /nfs/dbraw/zinc/93/35/23/939933523.db2.gz QCXKOTWZGFGZDT-CYBMUJFWSA-N 2 2 265.307 1.974 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205763471 939933524 /nfs/dbraw/zinc/93/35/24/939933524.db2.gz QCXKOTWZGFGZDT-CYBMUJFWSA-N 2 2 265.307 1.974 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451653 940755455 /nfs/dbraw/zinc/75/54/55/940755455.db2.gz DXJJZJHIMDTWAU-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451653 940755458 /nfs/dbraw/zinc/75/54/58/940755458.db2.gz DXJJZJHIMDTWAU-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438435 942620454 /nfs/dbraw/zinc/62/04/54/942620454.db2.gz PFEVOEBDCRXOLG-AWEZNQCLSA-N 2 2 290.411 1.818 20 30 CDEDLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3OC)C[C@H]2C1 ZINC001231622204 942946789 /nfs/dbraw/zinc/94/67/89/942946789.db2.gz RHTWHIBUESBLDY-HZPDHXFCSA-N 2 2 285.391 1.950 20 30 CDEDLP C[NH+](C)CCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001232842338 943417120 /nfs/dbraw/zinc/41/71/20/943417120.db2.gz YQWRFVKBCGYSOI-UHFFFAOYSA-N 2 2 278.425 1.299 20 30 CDEDLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001235632082 944226858 /nfs/dbraw/zinc/22/68/58/944226858.db2.gz IRCSVTUKGXBNIB-CXAGYDPISA-N 2 2 298.390 1.334 20 30 CDEDLP C[C@@H]([NH3+])C[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001235632082 944226864 /nfs/dbraw/zinc/22/68/64/944226864.db2.gz IRCSVTUKGXBNIB-CXAGYDPISA-N 2 2 298.390 1.334 20 30 CDEDLP CC[C@H](CC#N)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001255172370 947764713 /nfs/dbraw/zinc/76/47/13/947764713.db2.gz ODHDQCDPCZNMKZ-CQSZACIVSA-N 2 2 264.417 1.390 20 30 CDEDLP C=CCOC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246089784 947939818 /nfs/dbraw/zinc/93/98/18/947939818.db2.gz DTFQZKKPOOOYHI-CLRIEMFWSA-N 2 2 256.365 1.790 20 30 CDEDLP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001256620824 948367195 /nfs/dbraw/zinc/36/71/95/948367195.db2.gz DXWPYRLUDFSWOR-WVMKXHBISA-N 2 2 269.389 1.121 20 30 CDEDLP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NO ZINC001256620824 948367204 /nfs/dbraw/zinc/36/72/04/948367204.db2.gz DXWPYRLUDFSWOR-WVMKXHBISA-N 2 2 269.389 1.121 20 30 CDEDLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC[NH2+]1 ZINC001246692933 948406357 /nfs/dbraw/zinc/40/63/57/948406357.db2.gz ITLPZYVDPURDGA-JLLWLGSASA-N 2 2 252.383 1.401 20 30 CDEDLP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC[NH2+]1 ZINC001246692933 948406364 /nfs/dbraw/zinc/40/63/64/948406364.db2.gz ITLPZYVDPURDGA-JLLWLGSASA-N 2 2 252.383 1.401 20 30 CDEDLP C=CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC001256852037 948434522 /nfs/dbraw/zinc/43/45/22/948434522.db2.gz AGTIJFAJOUFZOR-OAHLLOKOSA-N 2 2 289.379 1.758 20 30 CDEDLP C=C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001253598191 951985854 /nfs/dbraw/zinc/98/58/54/951985854.db2.gz PUJMLFLHFXVTSY-QGZVFWFLSA-N 2 2 285.391 1.659 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480645037 954907707 /nfs/dbraw/zinc/90/77/07/954907707.db2.gz FIWHRDQSSKJPJZ-LBPRGKRZSA-N 2 2 296.802 1.533 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001480645037 954907715 /nfs/dbraw/zinc/90/77/15/954907715.db2.gz FIWHRDQSSKJPJZ-LBPRGKRZSA-N 2 2 296.802 1.533 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440124835 963932658 /nfs/dbraw/zinc/93/26/58/963932658.db2.gz ROVFNUMWPMKUKK-NEPJUHHUSA-N 2 2 296.802 1.531 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001357369312 969576492 /nfs/dbraw/zinc/57/64/92/969576492.db2.gz VXHQXRJVHHICRR-QWHCGFSZSA-N 2 2 264.373 1.319 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382121808 977177374 /nfs/dbraw/zinc/17/73/74/977177374.db2.gz PNIVINWHCYYDGO-JTQLQIEISA-N 2 2 270.764 1.141 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000598715247 343881078 /nfs/dbraw/zinc/88/10/78/343881078.db2.gz NNEJGAMEFUCXOF-AWEZNQCLSA-N 2 2 290.411 1.652 20 30 CDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888098 349888657 /nfs/dbraw/zinc/88/86/57/349888657.db2.gz YEAVZNLGHDCCCV-GJZGRUSLSA-N 2 2 259.353 1.496 20 30 CDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888098 349888658 /nfs/dbraw/zinc/88/86/58/349888658.db2.gz YEAVZNLGHDCCCV-GJZGRUSLSA-N 2 2 259.353 1.496 20 30 CDEDLP C[NH+]1CCC([N@H+](CCO)Cc2cc(C#N)cs2)CC1 ZINC000305205593 530049661 /nfs/dbraw/zinc/04/96/61/530049661.db2.gz NZXFJEHQKMQZQN-UHFFFAOYSA-N 2 2 279.409 1.508 20 30 CDEDLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(C#N)cs2)CC1 ZINC000305205593 530049662 /nfs/dbraw/zinc/04/96/62/530049662.db2.gz NZXFJEHQKMQZQN-UHFFFAOYSA-N 2 2 279.409 1.508 20 30 CDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC#N)C2)CC1 ZINC000610250273 346229536 /nfs/dbraw/zinc/22/95/36/346229536.db2.gz LKYDCYDXWYPWSO-AWEZNQCLSA-N 2 2 250.390 1.000 20 30 CDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC#N)C2)CC1 ZINC000610250273 346229539 /nfs/dbraw/zinc/22/95/39/346229539.db2.gz LKYDCYDXWYPWSO-AWEZNQCLSA-N 2 2 250.390 1.000 20 30 CDEDLP CC(C)[C@@H](C#N)N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000611431827 346782145 /nfs/dbraw/zinc/78/21/45/346782145.db2.gz CLSMXIDJTKZATD-HZPDHXFCSA-N 2 2 278.444 1.636 20 30 CDEDLP CC(C)[C@@H](C#N)N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000611431827 346782148 /nfs/dbraw/zinc/78/21/48/346782148.db2.gz CLSMXIDJTKZATD-HZPDHXFCSA-N 2 2 278.444 1.636 20 30 CDEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)n3)CC[C@@H]21 ZINC000602487080 350114152 /nfs/dbraw/zinc/11/41/52/350114152.db2.gz STWYRYXEQLXSLL-BBRMVZONSA-N 2 2 270.380 1.869 20 30 CDEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)n3)CC[C@@H]21 ZINC000602487080 350114157 /nfs/dbraw/zinc/11/41/57/350114157.db2.gz STWYRYXEQLXSLL-BBRMVZONSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C#N)n3)CC[C@@H]21 ZINC000602487080 350114159 /nfs/dbraw/zinc/11/41/59/350114159.db2.gz STWYRYXEQLXSLL-BBRMVZONSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C#N)n3)CC[C@@H]21 ZINC000602487080 350114162 /nfs/dbraw/zinc/11/41/62/350114162.db2.gz STWYRYXEQLXSLL-BBRMVZONSA-N 2 2 270.380 1.869 20 30 CDEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C#N)n1 ZINC000602663427 350140016 /nfs/dbraw/zinc/14/00/16/350140016.db2.gz AIWCKMWMYPHJKF-DOMZBBRYSA-N 2 2 258.369 1.725 20 30 CDEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C#N)n1 ZINC000602663427 350140018 /nfs/dbraw/zinc/14/00/18/350140018.db2.gz AIWCKMWMYPHJKF-DOMZBBRYSA-N 2 2 258.369 1.725 20 30 CDEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(C#N)n1 ZINC000602663427 350140022 /nfs/dbraw/zinc/14/00/22/350140022.db2.gz AIWCKMWMYPHJKF-DOMZBBRYSA-N 2 2 258.369 1.725 20 30 CDEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602663427 350140023 /nfs/dbraw/zinc/14/00/23/350140023.db2.gz AIWCKMWMYPHJKF-DOMZBBRYSA-N 2 2 258.369 1.725 20 30 CDEDLP CCCCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000264068157 362956202 /nfs/dbraw/zinc/95/62/02/362956202.db2.gz BZRJIGDVIGISHH-UHFFFAOYSA-N 2 2 286.383 1.780 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000336253150 363229670 /nfs/dbraw/zinc/22/96/70/363229670.db2.gz RIZMNFTUXGYOTC-GOEBONIOSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000336253150 363229676 /nfs/dbraw/zinc/22/96/76/363229676.db2.gz RIZMNFTUXGYOTC-GOEBONIOSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000336253150 363229682 /nfs/dbraw/zinc/22/96/82/363229682.db2.gz RIZMNFTUXGYOTC-GOEBONIOSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000336253150 363229688 /nfs/dbraw/zinc/22/96/88/363229688.db2.gz RIZMNFTUXGYOTC-GOEBONIOSA-N 2 2 277.412 1.191 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000269766313 359374324 /nfs/dbraw/zinc/37/43/24/359374324.db2.gz FQRUPMMJLZBUGJ-INIZCTEOSA-N 2 2 276.380 1.101 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1=O ZINC000337200635 360021982 /nfs/dbraw/zinc/02/19/82/360021982.db2.gz ZUNVQVXWTMMZHE-JKSUJKDBSA-N 2 2 291.439 1.724 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1=O ZINC000337200635 360021987 /nfs/dbraw/zinc/02/19/87/360021987.db2.gz ZUNVQVXWTMMZHE-JKSUJKDBSA-N 2 2 291.439 1.724 20 30 CDEDLP C=CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093175501 360292559 /nfs/dbraw/zinc/29/25/59/360292559.db2.gz VCMKZYQITIVPGF-UHFFFAOYSA-N 2 2 267.417 1.439 20 30 CDEDLP C=CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093175501 360292562 /nfs/dbraw/zinc/29/25/62/360292562.db2.gz VCMKZYQITIVPGF-UHFFFAOYSA-N 2 2 267.417 1.439 20 30 CDEDLP C=CCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365831324 360477142 /nfs/dbraw/zinc/47/71/42/360477142.db2.gz ANVHYTWNLOOIQP-AWEZNQCLSA-N 2 2 279.428 1.627 20 30 CDEDLP C=CCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365831324 360477147 /nfs/dbraw/zinc/47/71/47/360477147.db2.gz ANVHYTWNLOOIQP-AWEZNQCLSA-N 2 2 279.428 1.627 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000228724123 367450516 /nfs/dbraw/zinc/45/05/16/367450516.db2.gz GAKOTHQCHOHYCH-INIZCTEOSA-N 2 2 276.380 1.101 20 30 CDEDLP CN(C(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000305809104 374442168 /nfs/dbraw/zinc/44/21/68/374442168.db2.gz IAVWHJXUYYJSBU-UHFFFAOYSA-N 2 2 294.443 1.430 20 30 CDEDLP C[N@H+](Cc1ccc(C#N)s1)C1CC[NH+](CCO)CC1 ZINC000353349413 375261477 /nfs/dbraw/zinc/26/14/77/375261477.db2.gz GIRWNRFRBDJVNK-UHFFFAOYSA-N 2 2 279.409 1.508 20 30 CDEDLP C[N@@H+](Cc1ccc(C#N)s1)C1CC[NH+](CCO)CC1 ZINC000353349413 375261478 /nfs/dbraw/zinc/26/14/78/375261478.db2.gz GIRWNRFRBDJVNK-UHFFFAOYSA-N 2 2 279.409 1.508 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448453 376048087 /nfs/dbraw/zinc/04/80/87/376048087.db2.gz MXFXZMZFWCYNIQ-CABCVRRESA-N 2 2 279.428 1.485 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448453 376048090 /nfs/dbraw/zinc/04/80/90/376048090.db2.gz MXFXZMZFWCYNIQ-CABCVRRESA-N 2 2 279.428 1.485 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000289607530 378328337 /nfs/dbraw/zinc/32/83/37/378328337.db2.gz CXHMIBIFBWYUOU-FVQBIDKESA-N 2 2 260.381 1.643 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000289607530 378328342 /nfs/dbraw/zinc/32/83/42/378328342.db2.gz CXHMIBIFBWYUOU-FVQBIDKESA-N 2 2 260.381 1.643 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243999 390671264 /nfs/dbraw/zinc/67/12/64/390671264.db2.gz KQXDUYAGOATKRC-ZDUSSCGKSA-N 2 2 289.383 1.281 20 30 CDEDLP CCNC(NCC[N@H+](C)Cc1ccc(F)cc1)=[NH+]CC ZINC000267344855 391191998 /nfs/dbraw/zinc/19/19/98/391191998.db2.gz QKJPMOAAABQACM-UHFFFAOYSA-N 2 2 280.391 1.833 20 30 CDEDLP CCNC(NCC[N@@H+](C)Cc1ccc(F)cc1)=[NH+]CC ZINC000267344855 391192000 /nfs/dbraw/zinc/19/20/00/391192000.db2.gz QKJPMOAAABQACM-UHFFFAOYSA-N 2 2 280.391 1.833 20 30 CDEDLP COCCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000270426227 391274206 /nfs/dbraw/zinc/27/42/06/391274206.db2.gz BDKHTTNXQLKALU-UHFFFAOYSA-N 2 2 279.384 1.812 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000574031699 391708357 /nfs/dbraw/zinc/70/83/57/391708357.db2.gz OWPKOFDBCQHBHR-CZUORRHYSA-N 2 2 285.391 1.904 20 30 CDEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@@H+]1C ZINC000191398697 130231602 /nfs/dbraw/zinc/23/16/02/130231602.db2.gz XYFUKWGCPRMBCN-GXTWGEPZSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@H+]1C ZINC000191398697 130231605 /nfs/dbraw/zinc/23/16/05/130231605.db2.gz XYFUKWGCPRMBCN-GXTWGEPZSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1C ZINC000191398697 130231607 /nfs/dbraw/zinc/23/16/07/130231607.db2.gz XYFUKWGCPRMBCN-GXTWGEPZSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1C ZINC000191398697 130231610 /nfs/dbraw/zinc/23/16/10/130231610.db2.gz XYFUKWGCPRMBCN-GXTWGEPZSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@@H+]1C ZINC000191398731 130232055 /nfs/dbraw/zinc/23/20/55/130232055.db2.gz XYFUKWGCPRMBCN-JSGCOSHPSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@H+]1C ZINC000191398731 130232056 /nfs/dbraw/zinc/23/20/56/130232056.db2.gz XYFUKWGCPRMBCN-JSGCOSHPSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1C ZINC000191398731 130232057 /nfs/dbraw/zinc/23/20/57/130232057.db2.gz XYFUKWGCPRMBCN-JSGCOSHPSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1C ZINC000191398731 130232058 /nfs/dbraw/zinc/23/20/58/130232058.db2.gz XYFUKWGCPRMBCN-JSGCOSHPSA-N 2 2 260.385 1.811 20 30 CDEDLP CN1CC[NH+]=C1NC[C@H](c1cccs1)[NH+](C)C ZINC000262681237 391811897 /nfs/dbraw/zinc/81/18/97/391811897.db2.gz WEOMRQZHNRJMBJ-SNVBAGLBSA-N 2 2 252.387 1.242 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)nn1 ZINC000657355212 414220100 /nfs/dbraw/zinc/22/01/00/414220100.db2.gz GFBRPFJSJBEASU-ZDUSSCGKSA-N 2 2 263.389 1.286 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)nn1 ZINC000657355212 414220110 /nfs/dbraw/zinc/22/01/10/414220110.db2.gz GFBRPFJSJBEASU-ZDUSSCGKSA-N 2 2 263.389 1.286 20 30 CDEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1OC ZINC000414892274 263102764 /nfs/dbraw/zinc/10/27/64/263102764.db2.gz XUQUNAXYIVWDEN-CYBMUJFWSA-N 2 2 262.353 1.712 20 30 CDEDLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCc1c[nH+]cn1C ZINC000328851833 263880144 /nfs/dbraw/zinc/88/01/44/263880144.db2.gz SCYINIXBAWKGLV-LBPRGKRZSA-N 2 2 280.372 1.030 20 30 CDEDLP C[C@H]1COCC[N@H+]1CCNC(=O)CCc1c[nH+]cn1C ZINC000328851833 263880146 /nfs/dbraw/zinc/88/01/46/263880146.db2.gz SCYINIXBAWKGLV-LBPRGKRZSA-N 2 2 280.372 1.030 20 30 CDEDLP CC[NH+](CC)CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555553958 290224984 /nfs/dbraw/zinc/22/49/84/290224984.db2.gz OICZPMORJSZHOA-UHFFFAOYSA-N 2 2 286.383 1.422 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000577729872 317390819 /nfs/dbraw/zinc/39/08/19/317390819.db2.gz DTHWPZCUGZQTEF-ABAIWWIYSA-N 2 2 296.378 1.173 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000577729872 317390822 /nfs/dbraw/zinc/39/08/22/317390822.db2.gz DTHWPZCUGZQTEF-ABAIWWIYSA-N 2 2 296.378 1.173 20 30 CDEDLP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)NC1CCCC1 ZINC000262116243 328145172 /nfs/dbraw/zinc/14/51/72/328145172.db2.gz LHOWPYCUNUJPDU-UHFFFAOYSA-N 2 2 261.373 1.566 20 30 CDEDLP C=CCNC(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000377623719 329021401 /nfs/dbraw/zinc/02/14/01/329021401.db2.gz JZNWUIRKTMBJST-UHFFFAOYSA-N 2 2 289.379 1.535 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000263237742 330050510 /nfs/dbraw/zinc/05/05/10/330050510.db2.gz KEBTWVKMNVUSHC-STQMWFEESA-N 2 2 282.432 1.355 20 30 CDEDLP Cc1ccc2[nH+]c(CNC(=O)[C@H]([NH3+])CCCC#N)cn2c1 ZINC000424138692 330276827 /nfs/dbraw/zinc/27/68/27/330276827.db2.gz UMJQJUBWZSJSJT-CYBMUJFWSA-N 2 2 285.351 1.280 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000490761973 332113729 /nfs/dbraw/zinc/11/37/29/332113729.db2.gz YNIYYWOMVJMILY-MRXNPFEDSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000490761973 332113730 /nfs/dbraw/zinc/11/37/30/332113730.db2.gz YNIYYWOMVJMILY-MRXNPFEDSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000490916225 332128919 /nfs/dbraw/zinc/12/89/19/332128919.db2.gz RSAJSIVECFLTPD-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000490916225 332128920 /nfs/dbraw/zinc/12/89/20/332128920.db2.gz RSAJSIVECFLTPD-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491307974 332186962 /nfs/dbraw/zinc/18/69/62/332186962.db2.gz RUKLGOARDHGDHO-UHFFFAOYSA-N 2 2 258.365 1.584 20 30 CDEDLP C#CC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491307974 332186963 /nfs/dbraw/zinc/18/69/63/332186963.db2.gz RUKLGOARDHGDHO-UHFFFAOYSA-N 2 2 258.365 1.584 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000491497588 332223825 /nfs/dbraw/zinc/22/38/25/332223825.db2.gz YRXKYSYBBLBBTJ-KRWDZBQOSA-N 2 2 299.418 1.380 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000491497588 332223826 /nfs/dbraw/zinc/22/38/26/332223826.db2.gz YRXKYSYBBLBBTJ-KRWDZBQOSA-N 2 2 299.418 1.380 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H]1CCc2ccccc21 ZINC000491667481 332275561 /nfs/dbraw/zinc/27/55/61/332275561.db2.gz XVNWKLSISLXTOK-SJLPKXTDSA-N 2 2 286.419 1.922 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H]1CCc2ccccc21 ZINC000491667481 332275562 /nfs/dbraw/zinc/27/55/62/332275562.db2.gz XVNWKLSISLXTOK-SJLPKXTDSA-N 2 2 286.419 1.922 20 30 CDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@@H]1CCc2ccccc21 ZINC000491667481 332275564 /nfs/dbraw/zinc/27/55/64/332275564.db2.gz XVNWKLSISLXTOK-SJLPKXTDSA-N 2 2 286.419 1.922 20 30 CDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CC)[C@@H]1CCc2ccccc21 ZINC000491667481 332275565 /nfs/dbraw/zinc/27/55/65/332275565.db2.gz XVNWKLSISLXTOK-SJLPKXTDSA-N 2 2 286.419 1.922 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CC(C)(C)C)CC1 ZINC000491766615 332334687 /nfs/dbraw/zinc/33/46/87/332334687.db2.gz FRYFWVLZICZUIK-UHFFFAOYSA-N 2 2 293.455 1.568 20 30 CDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)C[C@H]1C ZINC000347041743 527832154 /nfs/dbraw/zinc/83/21/54/527832154.db2.gz BJHVPPIWSJORTQ-KGLIPLIRSA-N 2 2 292.427 1.353 20 30 CDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)C[C@H]1C ZINC000347041743 527832157 /nfs/dbraw/zinc/83/21/57/527832157.db2.gz BJHVPPIWSJORTQ-KGLIPLIRSA-N 2 2 292.427 1.353 20 30 CDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)C[C@H]1C ZINC000347041743 527832162 /nfs/dbraw/zinc/83/21/62/527832162.db2.gz BJHVPPIWSJORTQ-KGLIPLIRSA-N 2 2 292.427 1.353 20 30 CDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)C[C@H]1C ZINC000347041743 527832165 /nfs/dbraw/zinc/83/21/65/527832165.db2.gz BJHVPPIWSJORTQ-KGLIPLIRSA-N 2 2 292.427 1.353 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC=C)C1 ZINC000950534447 613194432 /nfs/dbraw/zinc/19/44/32/613194432.db2.gz VLYROKODOAFYJU-INIZCTEOSA-N 2 2 289.423 1.193 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC=C)C1 ZINC000950534447 613194433 /nfs/dbraw/zinc/19/44/33/613194433.db2.gz VLYROKODOAFYJU-INIZCTEOSA-N 2 2 289.423 1.193 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296903 613288344 /nfs/dbraw/zinc/28/83/44/613288344.db2.gz VRCKFRSTATZHPJ-HNNXBMFYSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296903 613288347 /nfs/dbraw/zinc/28/83/47/613288347.db2.gz VRCKFRSTATZHPJ-HNNXBMFYSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000949780368 613294736 /nfs/dbraw/zinc/29/47/36/613294736.db2.gz KKEXEORFDSATEZ-AWEZNQCLSA-N 2 2 265.401 1.189 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000949780368 613294738 /nfs/dbraw/zinc/29/47/38/613294738.db2.gz KKEXEORFDSATEZ-AWEZNQCLSA-N 2 2 265.401 1.189 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972330106 613370052 /nfs/dbraw/zinc/37/00/52/613370052.db2.gz DNYWBFSYXSYXPU-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000972330106 613370053 /nfs/dbraw/zinc/37/00/53/613370053.db2.gz DNYWBFSYXSYXPU-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000972330106 613370054 /nfs/dbraw/zinc/37/00/54/613370054.db2.gz DNYWBFSYXSYXPU-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000972330106 613370055 /nfs/dbraw/zinc/37/00/55/613370055.db2.gz DNYWBFSYXSYXPU-KBPBESRZSA-N 2 2 299.846 1.756 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944444616 613520897 /nfs/dbraw/zinc/52/08/97/613520897.db2.gz KUQBZJBISDLEMF-TZMCWYRMSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944444616 613520900 /nfs/dbraw/zinc/52/09/00/613520900.db2.gz KUQBZJBISDLEMF-TZMCWYRMSA-N 2 2 290.411 1.663 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977536973 613608785 /nfs/dbraw/zinc/60/87/85/613608785.db2.gz SSPMVGCVQQIUJI-CQSZACIVSA-N 2 2 288.395 1.111 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977536973 613608787 /nfs/dbraw/zinc/60/87/87/613608787.db2.gz SSPMVGCVQQIUJI-CQSZACIVSA-N 2 2 288.395 1.111 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000950521504 613707971 /nfs/dbraw/zinc/70/79/71/613707971.db2.gz NKSWNRIBMNYKDX-UHFFFAOYSA-N 2 2 265.401 1.049 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000950521504 613707975 /nfs/dbraw/zinc/70/79/75/613707975.db2.gz NKSWNRIBMNYKDX-UHFFFAOYSA-N 2 2 265.401 1.049 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000952394330 613708432 /nfs/dbraw/zinc/70/84/32/613708432.db2.gz WOBQPORDUDOMMZ-UHFFFAOYSA-N 2 2 265.401 1.049 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000968752932 613864200 /nfs/dbraw/zinc/86/42/00/613864200.db2.gz VSTCPLLETPJOQC-CYBMUJFWSA-N 2 2 288.395 1.138 20 30 CDEDLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCN1O ZINC000895160621 619378829 /nfs/dbraw/zinc/37/88/29/619378829.db2.gz BXIGFSDOBMFFQY-HNNXBMFYSA-N 2 2 295.427 1.753 20 30 CDEDLP CC(C)(C)NC(NCCn1cc[nH+]c1)=[NH+]CC1CC1 ZINC000912507583 630049009 /nfs/dbraw/zinc/04/90/09/630049009.db2.gz XWUMGNOBSOFBDA-UHFFFAOYSA-N 2 2 263.389 1.627 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130165196 1162561341 /nfs/dbraw/zinc/56/13/41/1162561341.db2.gz RQZCFZWNFIGWPW-CYBMUJFWSA-N 2 2 292.427 1.987 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001671368087 1159130997 /nfs/dbraw/zinc/13/09/97/1159130997.db2.gz FVNBRISUKNLRIU-CYBMUJFWSA-N 2 2 290.411 1.844 20 30 CDEDLP CC#CC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976744 1163125952 /nfs/dbraw/zinc/12/59/52/1163125952.db2.gz QJQGMRZTZCCDMQ-UHFFFAOYSA-N 2 2 282.347 1.215 20 30 CDEDLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC#Cc1ccccc1 ZINC001132079836 1163165735 /nfs/dbraw/zinc/16/57/35/1163165735.db2.gz OVBFBDVJCLRDCF-UHFFFAOYSA-N 2 2 296.374 1.031 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132091358 1163167528 /nfs/dbraw/zinc/16/75/28/1163167528.db2.gz WDNGSRVUPKBAEN-DZGCQCFKSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132091358 1163167532 /nfs/dbraw/zinc/16/75/32/1163167532.db2.gz WDNGSRVUPKBAEN-DZGCQCFKSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132091358 1163167535 /nfs/dbraw/zinc/16/75/35/1163167535.db2.gz WDNGSRVUPKBAEN-DZGCQCFKSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132091358 1163167539 /nfs/dbraw/zinc/16/75/39/1163167539.db2.gz WDNGSRVUPKBAEN-DZGCQCFKSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753487877 1185232351 /nfs/dbraw/zinc/23/23/51/1185232351.db2.gz KLBFHODERLEWHA-KBPBESRZSA-N 2 2 278.400 1.895 20 30 CDEDLP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001753785434 1185334871 /nfs/dbraw/zinc/33/48/71/1185334871.db2.gz HIMZQWMLXAJDDK-CQSZACIVSA-N 2 2 290.411 1.889 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001755306493 1185905539 /nfs/dbraw/zinc/90/55/39/1185905539.db2.gz LTZXATFFUKCOKG-UONOGXRCSA-N 2 2 290.411 1.458 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001755306493 1185905546 /nfs/dbraw/zinc/90/55/46/1185905546.db2.gz LTZXATFFUKCOKG-UONOGXRCSA-N 2 2 290.411 1.458 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027970307 705348136 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C#CC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163473286 939274129 /nfs/dbraw/zinc/27/41/29/939274129.db2.gz QQYZTAYMPWOBRO-UHFFFAOYSA-N 2 2 282.347 1.215 20 30 CDEDLP CC#CC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164335430 939457920 /nfs/dbraw/zinc/45/79/20/939457920.db2.gz UOUZNUOHXAANIR-UHFFFAOYSA-N 2 2 288.395 1.242 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835979 940645296 /nfs/dbraw/zinc/64/52/96/940645296.db2.gz HDQUSUAYWPXNRT-LBPRGKRZSA-N 2 2 262.357 1.109 20 30 CDEDLP N#Cc1ccnc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c1 ZINC001218505287 941226248 /nfs/dbraw/zinc/22/62/48/941226248.db2.gz PSABGDZZSRRHNV-ZDUSSCGKSA-N 2 2 281.319 1.164 20 30 CDEDLP CC(C)(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccc(C#N)cc1 ZINC001219986677 941402563 /nfs/dbraw/zinc/40/25/63/941402563.db2.gz GDNVUOLYTDZKIJ-CPUCHLNUSA-N 2 2 298.390 1.131 20 30 CDEDLP C#CC1(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCCCC1 ZINC001221275354 941509028 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C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001316605586 942477257 /nfs/dbraw/zinc/47/72/57/942477257.db2.gz KIAMTXSRNJAKKW-ZDUSSCGKSA-N 2 2 276.384 1.369 20 30 CDEDLP CCCCCCCC[C@@H](O)C[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001245987196 947879130 /nfs/dbraw/zinc/87/91/30/947879130.db2.gz XRIWCQAVDRQPKN-KLHDSHLOSA-N 2 2 284.444 1.674 20 30 CDEDLP C=CCC[C@@H](O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001252591746 951485478 /nfs/dbraw/zinc/48/54/78/951485478.db2.gz ASGLJVZHHDPFEO-CQSZACIVSA-N 2 2 290.411 1.572 20 30 CDEDLP C#CC1([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252947251 951705879 /nfs/dbraw/zinc/70/58/79/951705879.db2.gz ALSMASRSIZIKDG-KRWDZBQOSA-N 2 2 270.376 1.379 20 30 CDEDLP C#CC1([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252947251 951705888 /nfs/dbraw/zinc/70/58/88/951705888.db2.gz ALSMASRSIZIKDG-KRWDZBQOSA-N 2 2 270.376 1.379 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001253408816 951893305 /nfs/dbraw/zinc/89/33/05/951893305.db2.gz ZKJVERKHRAFVFJ-JTQLQIEISA-N 2 2 267.398 1.458 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421002587 963410752 /nfs/dbraw/zinc/41/07/52/963410752.db2.gz IGDBNIZQSFZRME-ZDUSSCGKSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421002587 963410759 /nfs/dbraw/zinc/41/07/59/963410759.db2.gz IGDBNIZQSFZRME-ZDUSSCGKSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001448298288 967064005 /nfs/dbraw/zinc/06/40/05/967064005.db2.gz DLUCIOKDHTVJBF-LBPRGKRZSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391504698 976925831 /nfs/dbraw/zinc/92/58/31/976925831.db2.gz XNDQCIJPIZILRA-CYBMUJFWSA-N 2 2 287.835 1.373 20 30 CDEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457724 1163299856 /nfs/dbraw/zinc/29/98/56/1163299856.db2.gz MIYFYRSUBNPBIN-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457724 1163299864 /nfs/dbraw/zinc/29/98/64/1163299864.db2.gz MIYFYRSUBNPBIN-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132874644 1163498534 /nfs/dbraw/zinc/49/85/34/1163498534.db2.gz KSWQJBRBWBUSAW-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132874644 1163498538 /nfs/dbraw/zinc/49/85/38/1163498538.db2.gz KSWQJBRBWBUSAW-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000591764404 342645629 /nfs/dbraw/zinc/64/56/29/342645629.db2.gz MCYJHVNSWNWXGW-INIZCTEOSA-N 2 2 287.407 1.763 20 30 CDEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000591764404 342645630 /nfs/dbraw/zinc/64/56/30/342645630.db2.gz MCYJHVNSWNWXGW-INIZCTEOSA-N 2 2 287.407 1.763 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000593019659 342758216 /nfs/dbraw/zinc/75/82/16/342758216.db2.gz XBHLNUNJOYKFLP-OCCSQVGLSA-N 2 2 278.400 1.093 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000593019659 342758217 /nfs/dbraw/zinc/75/82/17/342758217.db2.gz XBHLNUNJOYKFLP-OCCSQVGLSA-N 2 2 278.400 1.093 20 30 CDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCCCC#N)CC1 ZINC000588632510 342217354 /nfs/dbraw/zinc/21/73/54/342217354.db2.gz UTTXSXJRGRKIIS-UHFFFAOYSA-N 2 2 294.443 1.603 20 30 CDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCSCC1)c1cccs1 ZINC000104154779 282168800 /nfs/dbraw/zinc/16/88/00/282168800.db2.gz TWUAZWVLAYYZNR-NSHDSACASA-N 2 2 298.481 1.714 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959007 342362375 /nfs/dbraw/zinc/36/23/75/342362375.db2.gz LHEJRBUAKSKDPT-RYUDHWBXSA-N 2 2 262.357 1.280 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959007 342362376 /nfs/dbraw/zinc/36/23/76/342362376.db2.gz LHEJRBUAKSKDPT-RYUDHWBXSA-N 2 2 262.357 1.280 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598600585 343850961 /nfs/dbraw/zinc/85/09/61/343850961.db2.gz UQNRKAWYGPDMPZ-QWHCGFSZSA-N 2 2 276.384 1.510 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598600585 343850963 /nfs/dbraw/zinc/85/09/63/343850963.db2.gz UQNRKAWYGPDMPZ-QWHCGFSZSA-N 2 2 276.384 1.510 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000598723276 343884782 /nfs/dbraw/zinc/88/47/82/343884782.db2.gz FPTMSJOWWIBZRX-LSDHHAIUSA-N 2 2 279.428 1.894 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000598723276 343884783 /nfs/dbraw/zinc/88/47/83/343884783.db2.gz FPTMSJOWWIBZRX-LSDHHAIUSA-N 2 2 279.428 1.894 20 30 CDEDLP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599429083 344056209 /nfs/dbraw/zinc/05/62/09/344056209.db2.gz DXLAXDSKCOAFLR-UHFFFAOYSA-N 2 2 295.346 1.668 20 30 CDEDLP N#Cc1ccccc1NC(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599429083 344056210 /nfs/dbraw/zinc/05/62/10/344056210.db2.gz DXLAXDSKCOAFLR-UHFFFAOYSA-N 2 2 295.346 1.668 20 30 CDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCC#N)CC2)C1 ZINC000609672765 345988547 /nfs/dbraw/zinc/98/85/47/345988547.db2.gz RZKMROVQFUAQNJ-CQSZACIVSA-N 2 2 250.390 1.002 20 30 CDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCC#N)CC2)C1 ZINC000609672765 345988549 /nfs/dbraw/zinc/98/85/49/345988549.db2.gz RZKMROVQFUAQNJ-CQSZACIVSA-N 2 2 250.390 1.002 20 30 CDEDLP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+]1C1CC1 ZINC000610813457 346444959 /nfs/dbraw/zinc/44/49/59/346444959.db2.gz HSVYULAOSXTYSS-TZMCWYRMSA-N 2 2 262.401 1.189 20 30 CDEDLP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+]1C1CC1 ZINC000610813457 346444961 /nfs/dbraw/zinc/44/49/61/346444961.db2.gz HSVYULAOSXTYSS-TZMCWYRMSA-N 2 2 262.401 1.189 20 30 CDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264077191 362959437 /nfs/dbraw/zinc/95/94/37/362959437.db2.gz GDKSLHAUQDHLEB-UHFFFAOYSA-N 2 2 278.400 1.608 20 30 CDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264077191 362959442 /nfs/dbraw/zinc/95/94/42/362959442.db2.gz GDKSLHAUQDHLEB-UHFFFAOYSA-N 2 2 278.400 1.608 20 30 CDEDLP CC(C)CNC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000264083918 362962128 /nfs/dbraw/zinc/96/21/28/362962128.db2.gz IGWAXACDYBECIR-UHFFFAOYSA-N 2 2 271.368 1.933 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264112550 362970544 /nfs/dbraw/zinc/97/05/44/362970544.db2.gz RIHLXPPZXSZKNF-NSHDSACASA-N 2 2 252.387 1.441 20 30 CDEDLP C#CCC[NH+]1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492897597 366185137 /nfs/dbraw/zinc/18/51/37/366185137.db2.gz KFWGJIMRGPMFDP-SNAWJCMRSA-N 2 2 272.352 1.027 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265472497 359331002 /nfs/dbraw/zinc/33/10/02/359331002.db2.gz IMCAMFOXOPFPJY-NSHDSACASA-N 2 2 262.357 1.280 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000571815625 359617582 /nfs/dbraw/zinc/61/75/82/359617582.db2.gz HPRYDACFDWOOIW-ZDUSSCGKSA-N 2 2 267.336 1.676 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000571815625 359617587 /nfs/dbraw/zinc/61/75/87/359617587.db2.gz HPRYDACFDWOOIW-ZDUSSCGKSA-N 2 2 267.336 1.676 20 30 CDEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000330884435 203350370 /nfs/dbraw/zinc/35/03/70/203350370.db2.gz PNSDMYXTACUIKM-WFASDCNBSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000330884435 203350372 /nfs/dbraw/zinc/35/03/72/203350372.db2.gz PNSDMYXTACUIKM-WFASDCNBSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)C[NH+]1CCOCC1 ZINC000174417692 379474476 /nfs/dbraw/zinc/47/44/76/379474476.db2.gz OTHBYLFYGRVDDF-AWEZNQCLSA-N 2 2 267.417 1.874 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(C)C ZINC000491709020 391227957 /nfs/dbraw/zinc/22/79/57/391227957.db2.gz QVZSGWNRLJEMNN-HNNXBMFYSA-N 2 2 280.412 1.651 20 30 CDEDLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000329734161 391765945 /nfs/dbraw/zinc/76/59/45/391765945.db2.gz RFZTVMQTSICKRF-AWEZNQCLSA-N 2 2 292.383 1.520 20 30 CDEDLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000329734161 391765951 /nfs/dbraw/zinc/76/59/51/391765951.db2.gz RFZTVMQTSICKRF-AWEZNQCLSA-N 2 2 292.383 1.520 20 30 CDEDLP C[C@H]1C[NH+]=C(NCC[N@H+](C)Cc2ccc(F)cc2)N1 ZINC000262683080 391812002 /nfs/dbraw/zinc/81/20/02/391812002.db2.gz XEKHSBHQFVPJHI-NSHDSACASA-N 2 2 264.348 1.195 20 30 CDEDLP C[C@H]1C[NH+]=C(NCC[N@@H+](C)Cc2ccc(F)cc2)N1 ZINC000262683080 391812003 /nfs/dbraw/zinc/81/20/03/391812003.db2.gz XEKHSBHQFVPJHI-NSHDSACASA-N 2 2 264.348 1.195 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(F)c1 ZINC000269468780 132175384 /nfs/dbraw/zinc/17/53/84/132175384.db2.gz ZPROJESPEVQAFK-CQSZACIVSA-N 2 2 277.343 1.244 20 30 CDEDLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000113516057 397662861 /nfs/dbraw/zinc/66/28/61/397662861.db2.gz FBQAXBLSYPKJLY-CQSZACIVSA-N 2 2 292.427 1.213 20 30 CDEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000113516057 397662863 /nfs/dbraw/zinc/66/28/63/397662863.db2.gz FBQAXBLSYPKJLY-CQSZACIVSA-N 2 2 292.427 1.213 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652103 413335444 /nfs/dbraw/zinc/33/54/44/413335444.db2.gz GSIXJDGIHIQRRI-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652103 413335454 /nfs/dbraw/zinc/33/54/54/413335454.db2.gz GSIXJDGIHIQRRI-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660652103 413335461 /nfs/dbraw/zinc/33/54/61/413335461.db2.gz GSIXJDGIHIQRRI-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660652103 413335467 /nfs/dbraw/zinc/33/54/67/413335467.db2.gz GSIXJDGIHIQRRI-KRWDZBQOSA-N 2 2 293.455 1.829 20 30 CDEDLP C[N@@H+]1CC[C@H]2CCN(Cc3c[nH+]c4ccc(C#N)cn34)[C@@H]2C1 ZINC000374905555 160325758 /nfs/dbraw/zinc/32/57/58/160325758.db2.gz ZLDOGNUHGNMWNA-GOEBONIOSA-N 2 2 295.390 1.732 20 30 CDEDLP C[N@H+]1CC[C@H]2CCN(Cc3c[nH+]c4ccc(C#N)cn34)[C@@H]2C1 ZINC000374905555 160325761 /nfs/dbraw/zinc/32/57/61/160325761.db2.gz ZLDOGNUHGNMWNA-GOEBONIOSA-N 2 2 295.390 1.732 20 30 CDEDLP Cc1[nH+]c2ccccc2n1CC[NH+]=C(N(C)C)N(C)C ZINC000262311022 328148628 /nfs/dbraw/zinc/14/86/28/328148628.db2.gz PAJARLNCVOXFFS-UHFFFAOYSA-N 2 2 273.384 1.824 20 30 CDEDLP Cc1cnc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)o1 ZINC000267003477 328171217 /nfs/dbraw/zinc/17/12/17/328171217.db2.gz IKUSFIXTRUAVDY-UHFFFAOYSA-N 2 2 288.351 1.882 20 30 CDEDLP Cc1cc(NCC2CC[NH+](C3CC3)CC2)c(C#N)c[nH+]1 ZINC000581813623 324835460 /nfs/dbraw/zinc/83/54/60/324835460.db2.gz ZVNZQEKKYLBJKC-UHFFFAOYSA-N 2 2 270.380 1.970 20 30 CDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N(C)Cc1ccco1 ZINC000262823681 330034096 /nfs/dbraw/zinc/03/40/96/330034096.db2.gz ZBIQYDISTITPMS-UHFFFAOYSA-N 2 2 296.440 1.336 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422856119 330157764 /nfs/dbraw/zinc/15/77/64/330157764.db2.gz DPGATLTZLURZPX-GJZGRUSLSA-N 3 2 251.418 1.757 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000424140439 330280653 /nfs/dbraw/zinc/28/06/53/330280653.db2.gz FZZBPYWTHIUIRP-LLVKDONJSA-N 3 2 284.323 1.227 20 30 CDEDLP Cc1cc(CNC(=O)[C@H]([NH3+])CCCC#N)cc(C)[nH+]1 ZINC000424200369 330326599 /nfs/dbraw/zinc/32/65/99/330326599.db2.gz MBZRHWYVMWAGLV-CYBMUJFWSA-N 2 2 260.341 1.336 20 30 CDEDLP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000442774971 330782117 /nfs/dbraw/zinc/78/21/17/330782117.db2.gz FQBYOFUJBDXUQD-GDBMZVCRSA-N 3 2 290.455 1.827 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000491122619 332152953 /nfs/dbraw/zinc/15/29/53/332152953.db2.gz WYJZHDQKCYHVQE-WBVHZDCISA-N 2 2 285.391 1.161 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000491122619 332152955 /nfs/dbraw/zinc/15/29/55/332152955.db2.gz WYJZHDQKCYHVQE-WBVHZDCISA-N 2 2 285.391 1.161 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCC(C)(C)C2)CC1 ZINC000491569558 332240302 /nfs/dbraw/zinc/24/03/02/332240302.db2.gz WQQNDJKGSGHIQA-HNNXBMFYSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCC(C)(C)C2)CC1 ZINC000491569558 332240304 /nfs/dbraw/zinc/24/03/04/332240304.db2.gz WQQNDJKGSGHIQA-HNNXBMFYSA-N 2 2 291.439 1.274 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001753728121 1159896004 /nfs/dbraw/zinc/89/60/04/1159896004.db2.gz PQWIQEHTWBARPT-KGLIPLIRSA-N 2 2 278.400 1.674 20 30 CDEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699410 482966705 /nfs/dbraw/zinc/96/67/05/482966705.db2.gz LFYSXPUADLNGTH-CVEARBPZSA-N 2 2 264.413 1.833 20 30 CDEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699410 482966707 /nfs/dbraw/zinc/96/67/07/482966707.db2.gz LFYSXPUADLNGTH-CVEARBPZSA-N 2 2 264.413 1.833 20 30 CDEDLP C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182101858 525782414 /nfs/dbraw/zinc/78/24/14/525782414.db2.gz FAIQGAFIDMYEIC-ZDUSSCGKSA-N 2 2 273.380 1.493 20 30 CDEDLP C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cccc2[nH+]ccn21 ZINC000753940748 576868039 /nfs/dbraw/zinc/86/80/39/576868039.db2.gz VIEBXBIKPCPOLG-STQMWFEESA-N 2 2 282.351 1.528 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947757574 613271135 /nfs/dbraw/zinc/27/11/35/613271135.db2.gz CAKBEGBNGTWBJV-KBPBESRZSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947757574 613271136 /nfs/dbraw/zinc/27/11/36/613271136.db2.gz CAKBEGBNGTWBJV-KBPBESRZSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945807255 613335366 /nfs/dbraw/zinc/33/53/66/613335366.db2.gz IOOGJJQDIPIMTJ-KBPBESRZSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945807255 613335367 /nfs/dbraw/zinc/33/53/67/613335367.db2.gz IOOGJJQDIPIMTJ-KBPBESRZSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000969906157 613348688 /nfs/dbraw/zinc/34/86/88/613348688.db2.gz MZSXNKFGCSWOAI-CHWSQXEVSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968597349 613515435 /nfs/dbraw/zinc/51/54/35/613515435.db2.gz WFSOLIYDUNOQTK-DOMZBBRYSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968597349 613515438 /nfs/dbraw/zinc/51/54/38/613515438.db2.gz WFSOLIYDUNOQTK-DOMZBBRYSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000949801668 613711068 /nfs/dbraw/zinc/71/10/68/613711068.db2.gz XIRSPHORICZXIF-OAHLLOKOSA-N 2 2 279.428 1.439 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000949801668 613711071 /nfs/dbraw/zinc/71/10/71/613711071.db2.gz XIRSPHORICZXIF-OAHLLOKOSA-N 2 2 279.428 1.439 20 30 CDEDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925894486 617988793 /nfs/dbraw/zinc/98/87/93/617988793.db2.gz ZCYDXNGYYIQQJK-DGCLKSJQSA-N 2 2 259.357 1.095 20 30 CDEDLP C=C(C)C[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130001427 1162516558 /nfs/dbraw/zinc/51/65/58/1162516558.db2.gz OABBCVACQBODDC-CQSZACIVSA-N 2 2 278.400 1.752 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481404 1162636938 /nfs/dbraw/zinc/63/69/38/1162636938.db2.gz RVGDAPJXFQFWSP-KBPBESRZSA-N 2 2 290.411 1.506 20 30 CDEDLP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490784 1162638777 /nfs/dbraw/zinc/63/87/77/1162638777.db2.gz IKUYTHBXLSDTIK-LBPRGKRZSA-N 2 2 276.384 1.105 20 30 CDEDLP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490784 1162638779 /nfs/dbraw/zinc/63/87/79/1162638779.db2.gz IKUYTHBXLSDTIK-LBPRGKRZSA-N 2 2 276.384 1.105 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001410429217 1161930041 /nfs/dbraw/zinc/93/00/41/1161930041.db2.gz NOPKWAYNAOGDJW-GFCCVEGCSA-N 2 2 298.818 1.542 20 30 CDEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135557939 1164155279 /nfs/dbraw/zinc/15/52/79/1164155279.db2.gz VNXMKDPFRNPMOG-OLZOCXBDSA-N 2 2 278.400 1.791 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001661369338 1172378159 /nfs/dbraw/zinc/37/81/59/1172378159.db2.gz CTUKHLDEGIDCJY-JSGCOSHPSA-N 2 2 290.411 1.806 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001753445147 1184541948 /nfs/dbraw/zinc/54/19/48/1184541948.db2.gz GIZMWKXWYHLPQF-LSDHHAIUSA-N 2 2 288.395 1.390 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001753445147 1184541951 /nfs/dbraw/zinc/54/19/51/1184541951.db2.gz GIZMWKXWYHLPQF-LSDHHAIUSA-N 2 2 288.395 1.390 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001753445146 1184542586 /nfs/dbraw/zinc/54/25/86/1184542586.db2.gz GIZMWKXWYHLPQF-HUUCEWRRSA-N 2 2 288.395 1.390 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001753445146 1184542592 /nfs/dbraw/zinc/54/25/92/1184542592.db2.gz GIZMWKXWYHLPQF-HUUCEWRRSA-N 2 2 288.395 1.390 20 30 CDEDLP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001752004024 1184805993 /nfs/dbraw/zinc/80/59/93/1184805993.db2.gz MGAFEMJXSSYHFB-AWEZNQCLSA-N 2 2 290.411 1.460 20 30 CDEDLP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001752004024 1184805999 /nfs/dbraw/zinc/80/59/99/1184805999.db2.gz MGAFEMJXSSYHFB-AWEZNQCLSA-N 2 2 290.411 1.460 20 30 CDEDLP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752525456 1184874968 /nfs/dbraw/zinc/87/49/68/1184874968.db2.gz BEFJJTYPPXVYCQ-AWEZNQCLSA-N 2 2 290.411 1.699 20 30 CDEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752525456 1184874972 /nfs/dbraw/zinc/87/49/72/1184874972.db2.gz BEFJJTYPPXVYCQ-AWEZNQCLSA-N 2 2 290.411 1.699 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001752670011 1184891373 /nfs/dbraw/zinc/89/13/73/1184891373.db2.gz UGEAJBSJKPDQRL-AVGNSLFASA-N 2 2 276.384 1.544 20 30 CDEDLP CC#CC[N@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001753870280 1185374883 /nfs/dbraw/zinc/37/48/83/1185374883.db2.gz XIMTXAMXCWGCAG-UHFFFAOYSA-N 2 2 276.384 1.077 20 30 CDEDLP CC#CC[N@@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001753870280 1185374888 /nfs/dbraw/zinc/37/48/88/1185374888.db2.gz XIMTXAMXCWGCAG-UHFFFAOYSA-N 2 2 276.384 1.077 20 30 CDEDLP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001754020476 1185428370 /nfs/dbraw/zinc/42/83/70/1185428370.db2.gz PKTRDXQOBJQDMF-JTQLQIEISA-N 2 2 270.764 1.189 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001755309145 1185908241 /nfs/dbraw/zinc/90/82/41/1185908241.db2.gz SQOXPAIBRIKTJG-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001755309145 1185908243 /nfs/dbraw/zinc/90/82/43/1185908243.db2.gz SQOXPAIBRIKTJG-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000987055387 711904709 /nfs/dbraw/zinc/90/47/09/711904709.db2.gz BTCUTLDEPBGOGN-YPMHNXCESA-N 2 2 262.357 1.107 20 30 CDEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001024513587 711920187 /nfs/dbraw/zinc/92/01/87/711920187.db2.gz RELYXPIWKZMQNQ-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001024513587 711920189 /nfs/dbraw/zinc/92/01/89/711920189.db2.gz RELYXPIWKZMQNQ-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513587 711920192 /nfs/dbraw/zinc/92/01/92/711920192.db2.gz RELYXPIWKZMQNQ-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513587 711920193 /nfs/dbraw/zinc/92/01/93/711920193.db2.gz RELYXPIWKZMQNQ-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046557900 711984919 /nfs/dbraw/zinc/98/49/19/711984919.db2.gz PRCSDHQRADPBBR-ZFWWWQNUSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046557900 711984922 /nfs/dbraw/zinc/98/49/22/711984922.db2.gz PRCSDHQRADPBBR-ZFWWWQNUSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046557900 711984923 /nfs/dbraw/zinc/98/49/23/711984923.db2.gz PRCSDHQRADPBBR-ZFWWWQNUSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046557900 711984924 /nfs/dbraw/zinc/98/49/24/711984924.db2.gz PRCSDHQRADPBBR-ZFWWWQNUSA-N 2 2 299.846 1.804 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(Cl)n1C ZINC000883131144 711991686 /nfs/dbraw/zinc/99/16/86/711991686.db2.gz JLNVFOFLYJKJDC-UHFFFAOYSA-N 2 2 254.765 1.118 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(Cl)n1C ZINC000883131144 711991687 /nfs/dbraw/zinc/99/16/87/711991687.db2.gz JLNVFOFLYJKJDC-UHFFFAOYSA-N 2 2 254.765 1.118 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000926489821 711998769 /nfs/dbraw/zinc/99/87/69/711998769.db2.gz KBQDTXKQMFFRCY-CYBMUJFWSA-N 2 2 261.369 1.696 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000926489821 711998770 /nfs/dbraw/zinc/99/87/70/711998770.db2.gz KBQDTXKQMFFRCY-CYBMUJFWSA-N 2 2 261.369 1.696 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027973291 712032820 /nfs/dbraw/zinc/03/28/20/712032820.db2.gz NYLRXHWIYISJPE-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027973291 712032821 /nfs/dbraw/zinc/03/28/21/712032821.db2.gz NYLRXHWIYISJPE-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001017997411 712036141 /nfs/dbraw/zinc/03/61/41/712036141.db2.gz BXZPLOZBUPENFB-OKILXGFUSA-N 2 2 274.368 1.204 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001017997411 712036143 /nfs/dbraw/zinc/03/61/43/712036143.db2.gz BXZPLOZBUPENFB-OKILXGFUSA-N 2 2 274.368 1.204 20 30 CDEDLP C[NH+](C)C1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885953919 712094306 /nfs/dbraw/zinc/09/43/06/712094306.db2.gz JOHYKKMQCCVSCH-AWEZNQCLSA-N 2 2 265.401 1.457 20 30 CDEDLP CCCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303787614 712202563 /nfs/dbraw/zinc/20/25/63/712202563.db2.gz SPDTVIYWHLYJBO-RYUDHWBXSA-N 2 2 270.421 1.189 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+](CCC)CC1)[C@@H]1CCCO1 ZINC000775573801 712230172 /nfs/dbraw/zinc/23/01/72/712230172.db2.gz KLFGKDCUMYVHAC-GJZGRUSLSA-N 2 2 250.386 1.631 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001007534682 712308306 /nfs/dbraw/zinc/30/83/06/712308306.db2.gz MAORYDFJBVCLEF-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001007534682 712308307 /nfs/dbraw/zinc/30/83/07/712308307.db2.gz MAORYDFJBVCLEF-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001007534682 712308309 /nfs/dbraw/zinc/30/83/09/712308309.db2.gz MAORYDFJBVCLEF-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001007534682 712308310 /nfs/dbraw/zinc/30/83/10/712308310.db2.gz MAORYDFJBVCLEF-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001000339176 712403019 /nfs/dbraw/zinc/40/30/19/712403019.db2.gz WIKNCSQSWAJBIJ-HUUCEWRRSA-N 2 2 290.411 1.991 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001044790896 712417635 /nfs/dbraw/zinc/41/76/35/712417635.db2.gz DPDMCSBHUPMPAJ-NWDGAFQWSA-N 2 2 262.357 1.107 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033415571 712685991 /nfs/dbraw/zinc/68/59/91/712685991.db2.gz JJNCOYOCBMNRGJ-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033415571 712685994 /nfs/dbraw/zinc/68/59/94/712685994.db2.gz JJNCOYOCBMNRGJ-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033415571 712685996 /nfs/dbraw/zinc/68/59/96/712685996.db2.gz JJNCOYOCBMNRGJ-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052747490 712739082 /nfs/dbraw/zinc/73/90/82/712739082.db2.gz FTQICGLSBRLMBI-ZDUSSCGKSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052747490 712739085 /nfs/dbraw/zinc/73/90/85/712739085.db2.gz FTQICGLSBRLMBI-ZDUSSCGKSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001030444658 712746830 /nfs/dbraw/zinc/74/68/30/712746830.db2.gz LHUKGFFJOLOOEM-CQSZACIVSA-N 2 2 288.395 1.527 20 30 CDEDLP COc1cccc([C@@H](CNC(=[NH2+])N(C)C)[NH+](C)C)c1 ZINC000170906474 712759659 /nfs/dbraw/zinc/75/96/59/712759659.db2.gz HOFYAOYFINYXJI-CYBMUJFWSA-N 2 2 264.373 1.174 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981583 912436880 /nfs/dbraw/zinc/43/68/80/912436880.db2.gz CBPPEVVIEFWHAK-HIFRSBDPSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981583 912436885 /nfs/dbraw/zinc/43/68/85/912436885.db2.gz CBPPEVVIEFWHAK-HIFRSBDPSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175011817 913427457 /nfs/dbraw/zinc/42/74/57/913427457.db2.gz PBGOAVOUKGZONK-UHFFFAOYSA-N 2 2 264.373 1.025 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992928110 913544116 /nfs/dbraw/zinc/54/41/16/913544116.db2.gz ZWAAIUOPAHBKFG-RRFJBIMHSA-N 2 2 288.395 1.286 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106224400 913667960 /nfs/dbraw/zinc/66/79/60/913667960.db2.gz XKDVLANUTQXJIJ-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106224400 913667967 /nfs/dbraw/zinc/66/79/67/913667967.db2.gz XKDVLANUTQXJIJ-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994207265 914431510 /nfs/dbraw/zinc/43/15/10/914431510.db2.gz KGTIDOIMMRSZLX-TZMCWYRMSA-N 2 2 276.384 1.118 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028130006 901401241 /nfs/dbraw/zinc/40/12/41/901401241.db2.gz IVSKNNOWBIFVQJ-CHWSQXEVSA-N 2 2 286.379 1.043 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028130006 901401248 /nfs/dbraw/zinc/40/12/48/901401248.db2.gz IVSKNNOWBIFVQJ-CHWSQXEVSA-N 2 2 286.379 1.043 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687767 903661636 /nfs/dbraw/zinc/66/16/36/903661636.db2.gz VUPQPUDTJFKAJJ-CYBMUJFWSA-N 2 2 284.363 1.572 20 30 CDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687767 903661642 /nfs/dbraw/zinc/66/16/42/903661642.db2.gz VUPQPUDTJFKAJJ-CYBMUJFWSA-N 2 2 284.363 1.572 20 30 CDEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441497 905698496 /nfs/dbraw/zinc/69/84/96/905698496.db2.gz AGHFXCOALHLTSV-UONOGXRCSA-N 2 2 288.395 1.545 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001087609748 905717213 /nfs/dbraw/zinc/71/72/13/905717213.db2.gz BHGHCNJGDYMTCO-GUIRCDHDSA-N 2 2 288.395 1.668 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001087609748 905717224 /nfs/dbraw/zinc/71/72/24/905717224.db2.gz BHGHCNJGDYMTCO-GUIRCDHDSA-N 2 2 288.395 1.668 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001087609748 905717240 /nfs/dbraw/zinc/71/72/40/905717240.db2.gz BHGHCNJGDYMTCO-GUIRCDHDSA-N 2 2 288.395 1.668 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001087609748 905717258 /nfs/dbraw/zinc/71/72/58/905717258.db2.gz BHGHCNJGDYMTCO-GUIRCDHDSA-N 2 2 288.395 1.668 20 30 CDEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875044 921690964 /nfs/dbraw/zinc/69/09/64/921690964.db2.gz SKGRFHLASRIVBE-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875044 921690971 /nfs/dbraw/zinc/69/09/71/921690971.db2.gz SKGRFHLASRIVBE-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179902756 916086240 /nfs/dbraw/zinc/08/62/40/916086240.db2.gz PRSPIQFOUSBAJV-UHFFFAOYSA-N 2 2 298.818 1.971 20 30 CDEDLP C#CC[NH2+]CCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001180155345 916188249 /nfs/dbraw/zinc/18/82/49/916188249.db2.gz WKXVOZZDLIKMMM-UHFFFAOYSA-N 2 2 276.384 1.160 20 30 CDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180280403 916252820 /nfs/dbraw/zinc/25/28/20/916252820.db2.gz ZHJLRSQJAKPZLR-GJZGRUSLSA-N 2 2 288.395 1.266 20 30 CDEDLP C=CCC[NH+]1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001031844359 916473523 /nfs/dbraw/zinc/47/35/23/916473523.db2.gz LVRYISZNZNJLOU-UHFFFAOYSA-N 2 2 284.363 1.572 20 30 CDEDLP C#CC[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000996794101 918446499 /nfs/dbraw/zinc/44/64/99/918446499.db2.gz AEOWMJULPXSTHP-UHFFFAOYSA-N 2 2 282.347 1.162 20 30 CDEDLP C=CC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997209428 919089586 /nfs/dbraw/zinc/08/95/86/919089586.db2.gz DMBNHDYJFWTVGT-UHFFFAOYSA-N 2 2 262.357 1.027 20 30 CDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185371866 919579148 /nfs/dbraw/zinc/57/91/48/919579148.db2.gz VNDIMBJZALHKBK-KBPBESRZSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186222172 919929854 /nfs/dbraw/zinc/92/98/54/919929854.db2.gz VQNIOJRNCMKKRA-QWHCGFSZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186222172 919929870 /nfs/dbraw/zinc/92/98/70/919929870.db2.gz VQNIOJRNCMKKRA-QWHCGFSZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576335 920084738 /nfs/dbraw/zinc/08/47/38/920084738.db2.gz RDTZNNRDIFTXSB-CQSZACIVSA-N 2 2 290.411 1.889 20 30 CDEDLP C#CC[N@@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139762915 936645086 /nfs/dbraw/zinc/64/50/86/936645086.db2.gz ALPRRRYYOJLCMD-UHFFFAOYSA-N 2 2 288.391 1.463 20 30 CDEDLP C#CC[N@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139762915 936645087 /nfs/dbraw/zinc/64/50/87/936645087.db2.gz ALPRRRYYOJLCMD-UHFFFAOYSA-N 2 2 288.391 1.463 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071989287 936695963 /nfs/dbraw/zinc/69/59/63/936695963.db2.gz OKLNFQBHWVKLRA-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071989287 936695965 /nfs/dbraw/zinc/69/59/65/936695965.db2.gz OKLNFQBHWVKLRA-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190559295 922068113 /nfs/dbraw/zinc/06/81/13/922068113.db2.gz WXISVTXUAFGRQR-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190559295 922068130 /nfs/dbraw/zinc/06/81/30/922068130.db2.gz WXISVTXUAFGRQR-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190559295 922068145 /nfs/dbraw/zinc/06/81/45/922068145.db2.gz WXISVTXUAFGRQR-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190559295 922068161 /nfs/dbraw/zinc/06/81/61/922068161.db2.gz WXISVTXUAFGRQR-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203057910 936739501 /nfs/dbraw/zinc/73/95/01/936739501.db2.gz CJFOIUVMBCALKS-UHFFFAOYSA-N 2 2 262.357 1.109 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033590886 922275241 /nfs/dbraw/zinc/27/52/41/922275241.db2.gz RTVQUFACIYWTDD-CYBMUJFWSA-N 2 2 288.395 1.243 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033590886 922275259 /nfs/dbraw/zinc/27/52/59/922275259.db2.gz RTVQUFACIYWTDD-CYBMUJFWSA-N 2 2 288.395 1.243 20 30 CDEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357938 936786593 /nfs/dbraw/zinc/78/65/93/936786593.db2.gz CEVKSSZLXYJJMF-CQSZACIVSA-N 2 2 290.411 1.676 20 30 CDEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357938 936786594 /nfs/dbraw/zinc/78/65/94/936786594.db2.gz CEVKSSZLXYJJMF-CQSZACIVSA-N 2 2 290.411 1.676 20 30 CDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360652 936786768 /nfs/dbraw/zinc/78/67/68/936786768.db2.gz ZOMVWFBBQMZKSR-AWEZNQCLSA-N 2 2 288.395 1.123 20 30 CDEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360652 936786770 /nfs/dbraw/zinc/78/67/70/936786770.db2.gz ZOMVWFBBQMZKSR-AWEZNQCLSA-N 2 2 288.395 1.123 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079967739 924461734 /nfs/dbraw/zinc/46/17/34/924461734.db2.gz WEIBJNQHKCHLKP-MRVWCRGKSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079967739 924461741 /nfs/dbraw/zinc/46/17/41/924461741.db2.gz WEIBJNQHKCHLKP-MRVWCRGKSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001079967739 924461746 /nfs/dbraw/zinc/46/17/46/924461746.db2.gz WEIBJNQHKCHLKP-MRVWCRGKSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079967739 924461754 /nfs/dbraw/zinc/46/17/54/924461754.db2.gz WEIBJNQHKCHLKP-MRVWCRGKSA-N 2 2 299.846 1.660 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001079992065 924463325 /nfs/dbraw/zinc/46/33/25/924463325.db2.gz XUURBCFJHAWDSO-UMVBOHGHSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001079992065 924463328 /nfs/dbraw/zinc/46/33/28/924463328.db2.gz XUURBCFJHAWDSO-UMVBOHGHSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@H+]2CCC[NH+](C)C)C1=O ZINC001273711875 924808586 /nfs/dbraw/zinc/80/85/86/924808586.db2.gz LMHBXFBSXNNISE-OAHLLOKOSA-N 2 2 265.401 1.191 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@@H+]2CCC[NH+](C)C)C1=O ZINC001273711875 924808594 /nfs/dbraw/zinc/80/85/94/924808594.db2.gz LMHBXFBSXNNISE-OAHLLOKOSA-N 2 2 265.401 1.191 20 30 CDEDLP C=CCCCNC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001199357937 925695894 /nfs/dbraw/zinc/69/58/94/925695894.db2.gz DEZQSOUOJPOESA-UHFFFAOYSA-N 2 2 288.395 1.529 20 30 CDEDLP C=CCCC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001201892349 926416084 /nfs/dbraw/zinc/41/60/84/926416084.db2.gz ARTLNQGFGFKGEP-UHFFFAOYSA-N 2 2 290.411 1.820 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574596 937147920 /nfs/dbraw/zinc/14/79/20/937147920.db2.gz YXPMEFJFTKQHNQ-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574596 937147923 /nfs/dbraw/zinc/14/79/23/937147923.db2.gz YXPMEFJFTKQHNQ-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110641392 927702875 /nfs/dbraw/zinc/70/28/75/927702875.db2.gz OKUBMSWLJAJVME-KFWWJZLASA-N 2 2 288.395 1.640 20 30 CDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110641392 927702893 /nfs/dbraw/zinc/70/28/93/927702893.db2.gz OKUBMSWLJAJVME-KFWWJZLASA-N 2 2 288.395 1.640 20 30 CDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110641392 927702906 /nfs/dbraw/zinc/70/29/06/927702906.db2.gz OKUBMSWLJAJVME-KFWWJZLASA-N 2 2 288.395 1.640 20 30 CDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110641392 927702919 /nfs/dbraw/zinc/70/29/19/927702919.db2.gz OKUBMSWLJAJVME-KFWWJZLASA-N 2 2 288.395 1.640 20 30 CDEDLP C=CCCCCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134393935 929725170 /nfs/dbraw/zinc/72/51/70/929725170.db2.gz SQAWOEBCLBJDQK-UHFFFAOYSA-N 2 2 264.373 1.404 20 30 CDEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135056085 930020719 /nfs/dbraw/zinc/02/07/19/930020719.db2.gz KEPWRLUWVMFAIL-UONOGXRCSA-N 2 2 292.427 1.802 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000883131271 930147273 /nfs/dbraw/zinc/14/72/73/930147273.db2.gz TUXIDINZXNTRNW-UHFFFAOYSA-N 2 2 262.401 1.817 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000883131271 930147283 /nfs/dbraw/zinc/14/72/83/930147283.db2.gz TUXIDINZXNTRNW-UHFFFAOYSA-N 2 2 262.401 1.817 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000885973722 930780308 /nfs/dbraw/zinc/78/03/08/930780308.db2.gz ZFEHQKAMPWJDLC-MRXNPFEDSA-N 2 2 294.439 1.955 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001091227875 932042139 /nfs/dbraw/zinc/04/21/39/932042139.db2.gz SPLZQEIQZSBCEQ-BPCQOVAHSA-N 2 2 288.395 1.500 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C2CC[NH+](CC)CC2)CC1 ZINC001146781577 932301914 /nfs/dbraw/zinc/30/19/14/932301914.db2.gz DMTPDJSEKCRIBD-UHFFFAOYSA-N 2 2 265.401 1.049 20 30 CDEDLP N#Cc1c[nH]c2ncnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c12 ZINC001155052984 937627538 /nfs/dbraw/zinc/62/75/38/937627538.db2.gz IYCPIJWRNKFYSJ-UHFFFAOYSA-N 2 2 293.334 1.482 20 30 CDEDLP C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932621443 933736078 /nfs/dbraw/zinc/73/60/78/933736078.db2.gz KRQUHNFMIRTURT-LSDHHAIUSA-N 2 2 293.455 1.873 20 30 CDEDLP C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932621443 933736084 /nfs/dbraw/zinc/73/60/84/933736084.db2.gz KRQUHNFMIRTURT-LSDHHAIUSA-N 2 2 293.455 1.873 20 30 CDEDLP CC(C)NC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000304660210 935084805 /nfs/dbraw/zinc/08/48/05/935084805.db2.gz AAJWPLWXBZSQIG-UHFFFAOYSA-N 2 2 266.364 1.570 20 30 CDEDLP CC(C)NC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000304660210 935084811 /nfs/dbraw/zinc/08/48/11/935084811.db2.gz AAJWPLWXBZSQIG-UHFFFAOYSA-N 2 2 266.364 1.570 20 30 CDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114884742 935274279 /nfs/dbraw/zinc/27/42/79/935274279.db2.gz AUKCUHBCOFJSJO-YYWXWVFPSA-N 2 2 288.395 1.353 20 30 CDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114884742 935274286 /nfs/dbraw/zinc/27/42/86/935274286.db2.gz AUKCUHBCOFJSJO-YYWXWVFPSA-N 2 2 288.395 1.353 20 30 CDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156682875 938405709 /nfs/dbraw/zinc/40/57/09/938405709.db2.gz LIHLSEBYQLPJBL-CQSZACIVSA-N 2 2 292.427 1.755 20 30 CDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156682875 938405710 /nfs/dbraw/zinc/40/57/10/938405710.db2.gz LIHLSEBYQLPJBL-CQSZACIVSA-N 2 2 292.427 1.755 20 30 CDEDLP Cc1cc(C#N)c(NCC[NH+]2CCC([NH3+])CC2)nc1C ZINC001161867763 938937694 /nfs/dbraw/zinc/93/76/94/938937694.db2.gz NQOKVFJRFHNWNM-UHFFFAOYSA-N 2 2 273.384 1.405 20 30 CDEDLP N#CCc1cc[nH+]c(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1 ZINC001165432592 939564164 /nfs/dbraw/zinc/56/41/64/939564164.db2.gz KGDKOVYZHDDBFS-STQMWFEESA-N 2 2 274.343 1.661 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166402240 939607859 /nfs/dbraw/zinc/60/78/59/939607859.db2.gz MNNJUPNSZIYVNX-CYBMUJFWSA-N 2 2 290.411 1.892 20 30 CDEDLP CC[N@H+](Cc1cc(C#N)n(C)c1)C1CC[NH+](C)CC1 ZINC001207106424 940150364 /nfs/dbraw/zinc/15/03/64/940150364.db2.gz KVPXTKUJHKPGJN-UHFFFAOYSA-N 2 2 260.385 1.813 20 30 CDEDLP CC[N@@H+](Cc1cc(C#N)n(C)c1)C1CC[NH+](C)CC1 ZINC001207106424 940150366 /nfs/dbraw/zinc/15/03/66/940150366.db2.gz KVPXTKUJHKPGJN-UHFFFAOYSA-N 2 2 260.385 1.813 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210051346 940659324 /nfs/dbraw/zinc/65/93/24/940659324.db2.gz IJTGEXQXEOIABK-ZIAGYGMSSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051346 940659327 /nfs/dbraw/zinc/65/93/27/940659327.db2.gz IJTGEXQXEOIABK-ZIAGYGMSSA-N 2 2 288.395 1.192 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210669414 940705372 /nfs/dbraw/zinc/70/53/72/940705372.db2.gz XFALNFTZPWUVQQ-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C[C@H](C#N)c1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001218871201 941282488 /nfs/dbraw/zinc/28/24/88/941282488.db2.gz ISPPRJNYAJHCTK-LLVKDONJSA-N 2 2 272.352 1.333 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228799943 942378650 /nfs/dbraw/zinc/37/86/50/942378650.db2.gz BVGULPJOAXLSGU-HUUCEWRRSA-N 2 2 290.411 1.935 20 30 CDEDLP C#CC[NH+]1CCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232015923 943097946 /nfs/dbraw/zinc/09/79/46/943097946.db2.gz OCEAZJZFPRLUED-UHFFFAOYSA-N 2 2 254.337 1.314 20 30 CDEDLP N#Cc1cc(-c2ccc[nH+]c2N)ccc1N1CC[NH2+]CC1 ZINC001243474943 947125703 /nfs/dbraw/zinc/12/57/03/947125703.db2.gz UPMYEZKYPBECHH-UHFFFAOYSA-N 2 2 279.347 1.612 20 30 CDEDLP N#CC1CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246152465 947994307 /nfs/dbraw/zinc/99/43/07/947994307.db2.gz YYDVCYMCFXFRKF-YMAMQOFZSA-N 3 2 276.428 1.533 20 30 CDEDLP CCCC(C[NH3+])(CCC)[NH2+][C@H]1CCN[C@H](C#N)C1 ZINC001246499728 948211138 /nfs/dbraw/zinc/21/11/38/948211138.db2.gz DGIMPTYWNCVILC-STQMWFEESA-N 2 2 252.406 1.518 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC001253410371 951893483 /nfs/dbraw/zinc/89/34/83/951893483.db2.gz IAVZCBOPSQMMIC-NSHDSACASA-N 2 2 267.398 1.458 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440124837 963932398 /nfs/dbraw/zinc/93/23/98/963932398.db2.gz ROVFNUMWPMKUKK-NWDGAFQWSA-N 2 2 296.802 1.531 20 30 CDEDLP C#CC[NH2+]CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001343393196 963967920 /nfs/dbraw/zinc/96/79/20/963967920.db2.gz FRWBQDAUCSKRQD-UHFFFAOYSA-N 2 2 298.346 1.123 20 30 CDEDLP C=C(CC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001348843998 966202521 /nfs/dbraw/zinc/20/25/21/966202521.db2.gz SYLILLBYFWXHOH-CYBMUJFWSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(CC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001348843998 966202528 /nfs/dbraw/zinc/20/25/28/966202528.db2.gz SYLILLBYFWXHOH-CYBMUJFWSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100706601 968988810 /nfs/dbraw/zinc/98/88/10/968988810.db2.gz ONHDLHKNKDPOPP-UHFFFAOYSA-N 2 2 282.775 1.189 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001371965424 972721382 /nfs/dbraw/zinc/72/13/82/972721382.db2.gz UOVMXKGENRNLJA-ZDUSSCGKSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001371965424 972721393 /nfs/dbraw/zinc/72/13/93/972721393.db2.gz UOVMXKGENRNLJA-ZDUSSCGKSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001371965424 972721405 /nfs/dbraw/zinc/72/14/05/972721405.db2.gz UOVMXKGENRNLJA-ZDUSSCGKSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001371965424 972721416 /nfs/dbraw/zinc/72/14/16/972721416.db2.gz UOVMXKGENRNLJA-ZDUSSCGKSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001376923273 974818533 /nfs/dbraw/zinc/81/85/33/974818533.db2.gz UOGHMIIGPTWONV-ZDUSSCGKSA-N 2 2 296.802 1.606 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001377224133 974933495 /nfs/dbraw/zinc/93/34/95/974933495.db2.gz RHWCMYCGVDWIGL-LLVKDONJSA-N 2 2 273.808 1.129 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001377224133 974933498 /nfs/dbraw/zinc/93/34/98/974933498.db2.gz RHWCMYCGVDWIGL-LLVKDONJSA-N 2 2 273.808 1.129 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001377224133 974933502 /nfs/dbraw/zinc/93/35/02/974933502.db2.gz RHWCMYCGVDWIGL-LLVKDONJSA-N 2 2 273.808 1.129 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001377224133 974933503 /nfs/dbraw/zinc/93/35/03/974933503.db2.gz RHWCMYCGVDWIGL-LLVKDONJSA-N 2 2 273.808 1.129 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001377364323 974987061 /nfs/dbraw/zinc/98/70/61/974987061.db2.gz RLSGKIYWYITIHW-ZDUSSCGKSA-N 2 2 289.851 1.763 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001377364323 974987066 /nfs/dbraw/zinc/98/70/66/974987066.db2.gz RLSGKIYWYITIHW-ZDUSSCGKSA-N 2 2 289.851 1.763 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000594009336 342863008 /nfs/dbraw/zinc/86/30/08/342863008.db2.gz CULVGEXKRRKFKU-CVEARBPZSA-N 2 2 275.396 1.761 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000594009336 342863009 /nfs/dbraw/zinc/86/30/09/342863009.db2.gz CULVGEXKRRKFKU-CVEARBPZSA-N 2 2 275.396 1.761 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594612958 342927582 /nfs/dbraw/zinc/92/75/82/342927582.db2.gz REMJKFJIXNEQAU-OCCSQVGLSA-N 2 2 251.374 1.522 20 30 CDEDLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000619672938 349847427 /nfs/dbraw/zinc/84/74/27/349847427.db2.gz JRUYEQYGXMLBLC-STQMWFEESA-N 2 2 251.374 1.379 20 30 CDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C[N@@H+]1C1CC1 ZINC000598723387 343884897 /nfs/dbraw/zinc/88/48/97/343884897.db2.gz GQWZKELZAYPYIL-BZPMIXESSA-N 2 2 265.401 1.502 20 30 CDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C[N@H+]1C1CC1 ZINC000598723387 343884898 /nfs/dbraw/zinc/88/48/98/343884898.db2.gz GQWZKELZAYPYIL-BZPMIXESSA-N 2 2 265.401 1.502 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000295084562 199337002 /nfs/dbraw/zinc/33/70/02/199337002.db2.gz UFNPREPKQDSWNZ-GFCCVEGCSA-N 2 2 260.385 1.699 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000295084562 199337004 /nfs/dbraw/zinc/33/70/04/199337004.db2.gz UFNPREPKQDSWNZ-GFCCVEGCSA-N 2 2 260.385 1.699 20 30 CDEDLP N#CCC1(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000602802416 344591900 /nfs/dbraw/zinc/59/19/00/344591900.db2.gz SWTVJRJRCPHTEP-CQSZACIVSA-N 2 2 290.411 1.094 20 30 CDEDLP N#CCC1(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000602802416 344591902 /nfs/dbraw/zinc/59/19/02/344591902.db2.gz SWTVJRJRCPHTEP-CQSZACIVSA-N 2 2 290.411 1.094 20 30 CDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCC#N)CC2)C1 ZINC000609672764 345988367 /nfs/dbraw/zinc/98/83/67/345988367.db2.gz RZKMROVQFUAQNJ-AWEZNQCLSA-N 2 2 250.390 1.002 20 30 CDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](CCCC#N)CC2)C1 ZINC000609672764 345988371 /nfs/dbraw/zinc/98/83/71/345988371.db2.gz RZKMROVQFUAQNJ-AWEZNQCLSA-N 2 2 250.390 1.002 20 30 CDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cccc(C#N)n3)C2)CC1 ZINC000611117613 346612955 /nfs/dbraw/zinc/61/29/55/346612955.db2.gz QZMVBCAMMOLASR-AWEZNQCLSA-N 2 2 285.395 1.534 20 30 CDEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cccc(C#N)n3)C2)CC1 ZINC000611117613 346612957 /nfs/dbraw/zinc/61/29/57/346612957.db2.gz QZMVBCAMMOLASR-AWEZNQCLSA-N 2 2 285.395 1.534 20 30 CDEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000264084144 362961293 /nfs/dbraw/zinc/96/12/93/362961293.db2.gz INHVEWAUQWFIPK-AWEZNQCLSA-N 2 2 276.384 1.361 20 30 CDEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000264084144 362961297 /nfs/dbraw/zinc/96/12/97/362961297.db2.gz INHVEWAUQWFIPK-AWEZNQCLSA-N 2 2 276.384 1.361 20 30 CDEDLP CCN(CC)C(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000264093840 362965898 /nfs/dbraw/zinc/96/58/98/362965898.db2.gz LZGLQFCBUAPEHV-UHFFFAOYSA-N 2 2 274.412 1.701 20 30 CDEDLP CCN(CC)C(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000264093840 362965903 /nfs/dbraw/zinc/96/59/03/362965903.db2.gz LZGLQFCBUAPEHV-UHFFFAOYSA-N 2 2 274.412 1.701 20 30 CDEDLP CC(C)(C)NC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000264284866 363021017 /nfs/dbraw/zinc/02/10/17/363021017.db2.gz ONBJRXUAIMKWHD-UHFFFAOYSA-N 2 2 263.389 1.977 20 30 CDEDLP C[C@@H](CNC(=O)N1CCn2cc[nH+]c2C1)[N@H+](C)C1CC1 ZINC000329832207 538692626 /nfs/dbraw/zinc/69/26/26/538692626.db2.gz KIBGLZQKXDRBNT-NSHDSACASA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@@H](CNC(=O)N1CCn2cc[nH+]c2C1)[N@@H+](C)C1CC1 ZINC000329832207 538692635 /nfs/dbraw/zinc/69/26/35/538692635.db2.gz KIBGLZQKXDRBNT-NSHDSACASA-N 2 2 277.372 1.095 20 30 CDEDLP CCNC(NC[C@H](c1cccs1)[NH+](C)C)=[NH+]CC ZINC000058166008 357381541 /nfs/dbraw/zinc/38/15/41/357381541.db2.gz DAIATYQGLZSONG-LLVKDONJSA-N 2 2 268.430 1.926 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000294647766 199121724 /nfs/dbraw/zinc/12/17/24/199121724.db2.gz QJFNORVWBGDOMX-CQSZACIVSA-N 2 2 296.374 1.662 20 30 CDEDLP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000449386897 358521343 /nfs/dbraw/zinc/52/13/43/358521343.db2.gz JTITWEXGLHUPKJ-PCKAHOCUSA-N 2 2 279.428 1.895 20 30 CDEDLP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000449386897 358521345 /nfs/dbraw/zinc/52/13/45/358521345.db2.gz JTITWEXGLHUPKJ-PCKAHOCUSA-N 2 2 279.428 1.895 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)CC[C@H]2CCC[NH+]2C)C1=O ZINC000337225803 360037284 /nfs/dbraw/zinc/03/72/84/360037284.db2.gz OUUZKWMDHRIFHP-KGLIPLIRSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)CC[C@H]2CCC[NH+]2C)C1=O ZINC000337225803 360037286 /nfs/dbraw/zinc/03/72/86/360037286.db2.gz OUUZKWMDHRIFHP-KGLIPLIRSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000337225803 360037290 /nfs/dbraw/zinc/03/72/90/360037290.db2.gz OUUZKWMDHRIFHP-KGLIPLIRSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)CC[C@H]2CCC[N@H+]2C)C1=O ZINC000337225803 360037293 /nfs/dbraw/zinc/03/72/93/360037293.db2.gz OUUZKWMDHRIFHP-KGLIPLIRSA-N 2 2 265.401 1.189 20 30 CDEDLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000581997385 364060497 /nfs/dbraw/zinc/06/04/97/364060497.db2.gz CNDNYDJNVIXCKX-WMZOPIPTSA-N 2 2 298.434 1.819 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)CC1 ZINC000638524321 370720360 /nfs/dbraw/zinc/72/03/60/370720360.db2.gz LRLIZAYWHRPBCF-HIFRSBDPSA-N 2 2 279.428 1.674 20 30 CDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCCNC(=O)C1)C(C)C ZINC000638358077 369514535 /nfs/dbraw/zinc/51/45/35/369514535.db2.gz YVVBROABQAWGAA-CVEARBPZSA-N 2 2 293.455 1.943 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000183835570 372644926 /nfs/dbraw/zinc/64/49/26/372644926.db2.gz FSJIMWCPGPNSMP-ZDUSSCGKSA-N 2 2 258.369 1.795 20 30 CDEDLP N#Cc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000053102189 374352191 /nfs/dbraw/zinc/35/21/91/374352191.db2.gz KDPSCRRXNXGTRA-UHFFFAOYSA-N 2 2 298.434 1.772 20 30 CDEDLP C[N@H+](Cc1ccc(C#N)o1)C1CC[NH+](CCO)CC1 ZINC000353362116 375301500 /nfs/dbraw/zinc/30/15/00/375301500.db2.gz CVJFEUVTBSJTNB-UHFFFAOYSA-N 2 2 263.341 1.040 20 30 CDEDLP C[N@@H+](Cc1ccc(C#N)o1)C1CC[NH+](CCO)CC1 ZINC000353362116 375301506 /nfs/dbraw/zinc/30/15/06/375301506.db2.gz CVJFEUVTBSJTNB-UHFFFAOYSA-N 2 2 263.341 1.040 20 30 CDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1C ZINC000123998642 375887128 /nfs/dbraw/zinc/88/71/28/375887128.db2.gz RGXWDKYGTCRYOZ-XPKDYRNWSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+]1C ZINC000123998642 375887135 /nfs/dbraw/zinc/88/71/35/375887135.db2.gz RGXWDKYGTCRYOZ-XPKDYRNWSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1C ZINC000123998642 375887145 /nfs/dbraw/zinc/88/71/45/375887145.db2.gz RGXWDKYGTCRYOZ-XPKDYRNWSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1C ZINC000123998642 375887150 /nfs/dbraw/zinc/88/71/50/375887150.db2.gz RGXWDKYGTCRYOZ-XPKDYRNWSA-N 2 2 292.427 1.209 20 30 CDEDLP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328942588 376016243 /nfs/dbraw/zinc/01/62/43/376016243.db2.gz IPRSTINFPMWKQJ-LBPRGKRZSA-N 2 2 273.340 1.607 20 30 CDEDLP Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C#N)c[nH+]1 ZINC000574567674 295019222 /nfs/dbraw/zinc/01/92/22/295019222.db2.gz PBOCZHFPAREXPI-ZIAGYGMSSA-N 2 2 258.369 1.968 20 30 CDEDLP N#CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000572512507 377397118 /nfs/dbraw/zinc/39/71/18/377397118.db2.gz WHXCPBWESTZJFM-KGLIPLIRSA-N 2 2 251.374 1.258 20 30 CDEDLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1C#N ZINC000281674437 195330810 /nfs/dbraw/zinc/33/08/10/195330810.db2.gz LVONGJONNDCLGC-OAHLLOKOSA-N 2 2 289.379 1.113 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1=O ZINC000352922779 391315848 /nfs/dbraw/zinc/31/58/48/391315848.db2.gz SFZUKZLFTIZCJW-IZGVIRRGSA-N 2 2 277.412 1.330 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1=O ZINC000352922779 391315849 /nfs/dbraw/zinc/31/58/49/391315849.db2.gz SFZUKZLFTIZCJW-IZGVIRRGSA-N 2 2 277.412 1.330 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1=O ZINC000352922779 391315851 /nfs/dbraw/zinc/31/58/51/391315851.db2.gz SFZUKZLFTIZCJW-IZGVIRRGSA-N 2 2 277.412 1.330 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1=O ZINC000352922779 391315852 /nfs/dbraw/zinc/31/58/52/391315852.db2.gz SFZUKZLFTIZCJW-IZGVIRRGSA-N 2 2 277.412 1.330 20 30 CDEDLP C#Cc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000289074872 391610977 /nfs/dbraw/zinc/61/09/77/391610977.db2.gz CSXZYEOTNNEICM-UHFFFAOYSA-N 2 2 258.365 1.480 20 30 CDEDLP CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000261709473 391682730 /nfs/dbraw/zinc/68/27/30/391682730.db2.gz DLOPQUJFBHKAMR-NSHDSACASA-N 2 2 280.441 1.809 20 30 CDEDLP CC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000261709473 391682731 /nfs/dbraw/zinc/68/27/31/391682731.db2.gz DLOPQUJFBHKAMR-NSHDSACASA-N 2 2 280.441 1.809 20 30 CDEDLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423521563 392963542 /nfs/dbraw/zinc/96/35/42/392963542.db2.gz QXOVUGCXFUWFOS-HOCLYGCPSA-N 2 2 270.380 1.039 20 30 CDEDLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423521565 392963666 /nfs/dbraw/zinc/96/36/66/392963666.db2.gz QXOVUGCXFUWFOS-ZBFHGGJFSA-N 2 2 270.380 1.039 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655292 413337780 /nfs/dbraw/zinc/33/77/80/413337780.db2.gz LYIXYHPPIHSVLP-UKRRQHHQSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655292 413337786 /nfs/dbraw/zinc/33/77/86/413337786.db2.gz LYIXYHPPIHSVLP-UKRRQHHQSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655292 413337796 /nfs/dbraw/zinc/33/77/96/413337796.db2.gz LYIXYHPPIHSVLP-UKRRQHHQSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655292 413337806 /nfs/dbraw/zinc/33/78/06/413337806.db2.gz LYIXYHPPIHSVLP-UKRRQHHQSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000661385783 414044833 /nfs/dbraw/zinc/04/48/33/414044833.db2.gz POBJIVMMUZUIRK-GJZGRUSLSA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000661385783 414044838 /nfs/dbraw/zinc/04/48/38/414044838.db2.gz POBJIVMMUZUIRK-GJZGRUSLSA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000661385783 414044843 /nfs/dbraw/zinc/04/48/43/414044843.db2.gz POBJIVMMUZUIRK-GJZGRUSLSA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000661385783 414044852 /nfs/dbraw/zinc/04/48/52/414044852.db2.gz POBJIVMMUZUIRK-GJZGRUSLSA-N 2 2 270.417 1.214 20 30 CDEDLP C[NH+]=C(NC[C@H](c1cccc(OC)c1)[NH+](C)C)NC1CC1 ZINC000264099632 262870907 /nfs/dbraw/zinc/87/09/07/262870907.db2.gz YMRXCAYJLAJRHC-OAHLLOKOSA-N 2 2 290.411 1.625 20 30 CDEDLP C=CCc1cc(C[NH2+][C@@H](C)C[NH3+])cc(OC)c1O ZINC000414949084 263156390 /nfs/dbraw/zinc/15/63/90/263156390.db2.gz YSCVXBMDVSJQKY-JTQLQIEISA-N 2 2 250.342 1.566 20 30 CDEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414956337 263160713 /nfs/dbraw/zinc/16/07/13/263160713.db2.gz ABUKUOPWUNETJU-HNNXBMFYSA-N 2 2 275.396 1.245 20 30 CDEDLP COC[C@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCC[NH2+]1 ZINC000423423391 277269524 /nfs/dbraw/zinc/26/95/24/277269524.db2.gz ZLBJQANYMIGXRE-IAGOWNOFSA-N 2 2 285.391 1.904 20 30 CDEDLP CNC(NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C)=[NH+]C ZINC000264147232 328157513 /nfs/dbraw/zinc/15/75/13/328157513.db2.gz YDQDRBQYAMUMON-LBPRGKRZSA-N 2 2 294.399 1.101 20 30 CDEDLP C=C(C)CC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583079944 329311079 /nfs/dbraw/zinc/31/10/79/329311079.db2.gz SEMQIKMMMFTOFQ-IHRRRGAJSA-N 2 2 256.390 1.012 20 30 CDEDLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)CCC#N)n1C ZINC000419709261 329744560 /nfs/dbraw/zinc/74/45/60/329744560.db2.gz OOJNIHKTYOSBCS-UHFFFAOYSA-N 2 2 263.389 1.906 20 30 CDEDLP C=CCn1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)nn1 ZINC000424173114 330313557 /nfs/dbraw/zinc/31/35/57/330313557.db2.gz PBUSWOBCCCSRNQ-UHFFFAOYSA-N 2 2 272.356 1.215 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000988750836 1160647961 /nfs/dbraw/zinc/64/79/61/1160647961.db2.gz NEZMDKVITSQGBJ-RYUDHWBXSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000788494787 1162055812 /nfs/dbraw/zinc/05/58/12/1162055812.db2.gz VDKNDDZIIPVFJK-AWEZNQCLSA-N 2 2 286.441 1.003 20 30 CDEDLP C=CC[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000788494787 1162055814 /nfs/dbraw/zinc/05/58/14/1162055814.db2.gz VDKNDDZIIPVFJK-AWEZNQCLSA-N 2 2 286.441 1.003 20 30 CDEDLP C=CC[NH+](CC=C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000158135544 534829663 /nfs/dbraw/zinc/82/96/63/534829663.db2.gz PLSWHBXOTZZPGA-UHFFFAOYSA-N 2 2 287.411 1.402 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000748510853 574519730 /nfs/dbraw/zinc/51/97/30/574519730.db2.gz LYTCXUXRUDCTDN-ZDUSSCGKSA-N 2 2 272.352 1.184 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000748510853 574519731 /nfs/dbraw/zinc/51/97/31/574519731.db2.gz LYTCXUXRUDCTDN-ZDUSSCGKSA-N 2 2 272.352 1.184 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000730096298 574848519 /nfs/dbraw/zinc/84/85/19/574848519.db2.gz ODDKZLLEVIFEHW-UONOGXRCSA-N 2 2 289.379 1.096 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000730096298 574848520 /nfs/dbraw/zinc/84/85/20/574848520.db2.gz ODDKZLLEVIFEHW-UONOGXRCSA-N 2 2 289.379 1.096 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000763953881 576767945 /nfs/dbraw/zinc/76/79/45/576767945.db2.gz VEAHZWQRIUOAON-UHFFFAOYSA-N 2 2 286.379 1.579 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000952394214 613316497 /nfs/dbraw/zinc/31/64/97/613316497.db2.gz TZMOCOIZSRRMBU-UHFFFAOYSA-N 2 2 279.428 1.439 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703581 613332428 /nfs/dbraw/zinc/33/24/28/613332428.db2.gz XAOKAVPOCLWGBM-KBPBESRZSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703581 613332429 /nfs/dbraw/zinc/33/24/29/613332429.db2.gz XAOKAVPOCLWGBM-KBPBESRZSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945807256 613335418 /nfs/dbraw/zinc/33/54/18/613335418.db2.gz IOOGJJQDIPIMTJ-KGLIPLIRSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945807256 613335419 /nfs/dbraw/zinc/33/54/19/613335419.db2.gz IOOGJJQDIPIMTJ-KGLIPLIRSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970743945 613371901 /nfs/dbraw/zinc/37/19/01/613371901.db2.gz CXSARYGBFMQSSX-LBPRGKRZSA-N 2 2 297.830 1.271 20 30 CDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000981458936 613551963 /nfs/dbraw/zinc/55/19/63/613551963.db2.gz KRMQIUUQXFIESD-OAHLLOKOSA-N 2 2 277.412 1.028 20 30 CDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000981458936 613551965 /nfs/dbraw/zinc/55/19/65/613551965.db2.gz KRMQIUUQXFIESD-OAHLLOKOSA-N 2 2 277.412 1.028 20 30 CDEDLP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000981458936 613551968 /nfs/dbraw/zinc/55/19/68/613551968.db2.gz KRMQIUUQXFIESD-OAHLLOKOSA-N 2 2 277.412 1.028 20 30 CDEDLP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000981458936 613551971 /nfs/dbraw/zinc/55/19/71/613551971.db2.gz KRMQIUUQXFIESD-OAHLLOKOSA-N 2 2 277.412 1.028 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972306171 613615571 /nfs/dbraw/zinc/61/55/71/613615571.db2.gz DRVVRGJFRCPLCG-CHWSQXEVSA-N 2 2 288.395 1.548 20 30 CDEDLP 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C#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753113731 1185067972 /nfs/dbraw/zinc/06/79/72/1185067972.db2.gz RICBFQYLKHNFSD-KGLIPLIRSA-N 2 2 274.368 1.048 20 30 CDEDLP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001753845211 1185355622 /nfs/dbraw/zinc/35/56/22/1185355622.db2.gz WXNCNJSDEIAWHX-AWEZNQCLSA-N 2 2 278.400 1.567 20 30 CDEDLP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001754402498 1185609377 /nfs/dbraw/zinc/60/93/77/1185609377.db2.gz KKFDFBJWSXJWLU-ZDUSSCGKSA-N 2 2 278.400 1.603 20 30 CDEDLP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001754402498 1185609378 /nfs/dbraw/zinc/60/93/78/1185609378.db2.gz KKFDFBJWSXJWLU-ZDUSSCGKSA-N 2 2 278.400 1.603 20 30 CDEDLP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001754954946 1185768717 /nfs/dbraw/zinc/76/87/17/1185768717.db2.gz RULNRNXDYWEXQT-SHTZXODSSA-N 2 2 290.411 1.724 20 30 CDEDLP C#CCC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001754993540 1185781935 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1.192 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989612288 908955308 /nfs/dbraw/zinc/95/53/08/908955308.db2.gz KSZTZGSGSGLFCM-NEPJUHHUSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830154 909957686 /nfs/dbraw/zinc/95/76/86/909957686.db2.gz QJBUTPQHIJLXHQ-TZMCWYRMSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830154 909957699 /nfs/dbraw/zinc/95/76/99/909957699.db2.gz QJBUTPQHIJLXHQ-TZMCWYRMSA-N 2 2 274.368 1.061 20 30 CDEDLP C[C@@H](CCCC#N)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001172486345 911690686 /nfs/dbraw/zinc/69/06/86/911690686.db2.gz BJEMEDRXUFGEOB-XIRDDKMYSA-N 2 2 286.423 1.870 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823641 936402887 /nfs/dbraw/zinc/40/28/87/936402887.db2.gz KXXSPEVCNGCGSU-CQSZACIVSA-N 2 2 290.411 1.889 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823641 936402889 /nfs/dbraw/zinc/40/28/89/936402889.db2.gz KXXSPEVCNGCGSU-CQSZACIVSA-N 2 2 290.411 1.889 20 30 CDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182997071 918249260 /nfs/dbraw/zinc/24/92/60/918249260.db2.gz KTVAOJMZCCZFQW-IUODEOHRSA-N 2 2 276.384 1.212 20 30 CDEDLP C#CC[NH2+][C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC000996365945 918252153 /nfs/dbraw/zinc/25/21/53/918252153.db2.gz YQLUGUUUNPLHQD-KBPBESRZSA-N 2 2 288.395 1.294 20 30 CDEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107560249 918453698 /nfs/dbraw/zinc/45/36/98/918453698.db2.gz CPSVKCOYSIIUAC-GDBMZVCRSA-N 2 2 288.395 1.499 20 30 CDEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107560249 918453707 /nfs/dbraw/zinc/45/37/07/918453707.db2.gz CPSVKCOYSIIUAC-GDBMZVCRSA-N 2 2 288.395 1.499 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001000339173 936528160 /nfs/dbraw/zinc/52/81/60/936528160.db2.gz WIKNCSQSWAJBIJ-CABCVRRESA-N 2 2 290.411 1.991 20 30 CDEDLP C#CC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000997044519 918826326 /nfs/dbraw/zinc/82/63/26/918826326.db2.gz HOIYBTDCTRUNAK-ZDUSSCGKSA-N 2 2 274.368 1.048 20 30 CDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202862487 936563848 /nfs/dbraw/zinc/56/38/48/936563848.db2.gz CCYKQKHBEPRJAJ-CYBMUJFWSA-N 2 2 288.395 1.192 20 30 CDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202862487 936563850 /nfs/dbraw/zinc/56/38/50/936563850.db2.gz CCYKQKHBEPRJAJ-CYBMUJFWSA-N 2 2 288.395 1.192 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999320499 919735338 /nfs/dbraw/zinc/73/53/38/919735338.db2.gz ZVYHXSOLYXBCFO-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999320499 919735348 /nfs/dbraw/zinc/73/53/48/919735348.db2.gz ZVYHXSOLYXBCFO-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000999488615 919761705 /nfs/dbraw/zinc/76/17/05/919761705.db2.gz GRCVCLKRRMXMGX-CQSZACIVSA-N 2 2 289.379 1.399 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001185967883 919832477 /nfs/dbraw/zinc/83/24/77/919832477.db2.gz CTRTXYXRIVCKRY-UONOGXRCSA-N 2 2 274.368 1.048 20 30 CDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001072828610 936710779 /nfs/dbraw/zinc/71/07/79/936710779.db2.gz IOPBMLXTEFKTPR-CHWSQXEVSA-N 2 2 286.379 1.234 20 30 CDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001072828610 936710781 /nfs/dbraw/zinc/71/07/81/936710781.db2.gz IOPBMLXTEFKTPR-CHWSQXEVSA-N 2 2 286.379 1.234 20 30 CDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001072828610 936710782 /nfs/dbraw/zinc/71/07/82/936710782.db2.gz IOPBMLXTEFKTPR-CHWSQXEVSA-N 2 2 286.379 1.234 20 30 CDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001072828610 936710784 /nfs/dbraw/zinc/71/07/84/936710784.db2.gz IOPBMLXTEFKTPR-CHWSQXEVSA-N 2 2 286.379 1.234 20 30 CDEDLP Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1CC#N ZINC001168737164 921896868 /nfs/dbraw/zinc/89/68/68/921896868.db2.gz PZDWRVWYSAIUDB-UHFFFAOYSA-N 2 2 271.368 1.655 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033415573 922203853 /nfs/dbraw/zinc/20/38/53/922203853.db2.gz JJNCOYOCBMNRGJ-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033415573 922203865 /nfs/dbraw/zinc/20/38/65/922203865.db2.gz JJNCOYOCBMNRGJ-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415573 922203889 /nfs/dbraw/zinc/20/38/89/922203889.db2.gz JJNCOYOCBMNRGJ-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551106 923129673 /nfs/dbraw/zinc/12/96/73/923129673.db2.gz NUGJOUIIRWDBDJ-AWEZNQCLSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551106 923129680 /nfs/dbraw/zinc/12/96/80/923129680.db2.gz NUGJOUIIRWDBDJ-AWEZNQCLSA-N 2 2 276.384 1.451 20 30 CDEDLP C#C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCCO1 ZINC000775573631 923442428 /nfs/dbraw/zinc/44/24/28/923442428.db2.gz IKDHAANXMSVHPW-HUUCEWRRSA-N 2 2 250.386 1.630 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215516 936924224 /nfs/dbraw/zinc/92/42/24/936924224.db2.gz VEPFZSVWIICSQR-CQSZACIVSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001082795998 924998030 /nfs/dbraw/zinc/99/80/30/924998030.db2.gz OILHGJPWXAVTPV-GZBFAFLISA-N 2 2 290.411 1.601 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001082795998 924998037 /nfs/dbraw/zinc/99/80/37/924998037.db2.gz OILHGJPWXAVTPV-GZBFAFLISA-N 2 2 290.411 1.601 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001084799069 925431834 /nfs/dbraw/zinc/43/18/34/925431834.db2.gz PPMSJZIMVLKXDU-UKRRQHHQSA-N 2 2 288.395 1.369 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001084799069 925431839 /nfs/dbraw/zinc/43/18/39/925431839.db2.gz PPMSJZIMVLKXDU-UKRRQHHQSA-N 2 2 288.395 1.369 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695277 926289778 /nfs/dbraw/zinc/28/97/78/926289778.db2.gz FNBDEDAYNZITMG-HNNXBMFYSA-N 2 2 289.423 1.171 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695277 926289788 /nfs/dbraw/zinc/28/97/88/926289788.db2.gz FNBDEDAYNZITMG-HNNXBMFYSA-N 2 2 289.423 1.171 20 30 CDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001411233691 927279200 /nfs/dbraw/zinc/27/92/00/927279200.db2.gz GZTKURCKYKUXDB-UHFFFAOYSA-N 2 2 296.802 1.674 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134235858 929656002 /nfs/dbraw/zinc/65/60/02/929656002.db2.gz VVMOUHIDDUDLEZ-RYUDHWBXSA-N 2 2 298.818 1.968 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134743758 929881207 /nfs/dbraw/zinc/88/12/07/929881207.db2.gz CIYXHWNISAKGCW-CHWSQXEVSA-N 2 2 291.395 1.692 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(OC)cccc1OC ZINC000883131377 930146713 /nfs/dbraw/zinc/14/67/13/930146713.db2.gz ZHPOTDGOBLJOMH-UHFFFAOYSA-N 2 2 276.380 1.749 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(OC)cccc1OC ZINC000883131377 930146715 /nfs/dbraw/zinc/14/67/15/930146715.db2.gz ZHPOTDGOBLJOMH-UHFFFAOYSA-N 2 2 276.380 1.749 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)[C@H]2CCCOC2)CC1 ZINC000883187846 930160668 /nfs/dbraw/zinc/16/06/68/930160668.db2.gz XVUYPUQTGCIRQV-GOEBONIOSA-N 2 2 282.428 1.668 20 30 CDEDLP C=CC[C@H](C)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000883429661 930202438 /nfs/dbraw/zinc/20/24/38/930202438.db2.gz BEGUMSFAJLGAPU-LBPRGKRZSA-N 2 2 275.400 1.525 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000884612345 930607286 /nfs/dbraw/zinc/60/72/86/930607286.db2.gz JRDHSDHZYQDGTQ-OAHLLOKOSA-N 2 2 299.422 1.976 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000884612345 930607291 /nfs/dbraw/zinc/60/72/91/930607291.db2.gz JRDHSDHZYQDGTQ-OAHLLOKOSA-N 2 2 299.422 1.976 20 30 CDEDLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1C#N ZINC000817914990 930629634 /nfs/dbraw/zinc/62/96/34/930629634.db2.gz FOWKKHIMGYNKMR-FZMZJTMJSA-N 2 2 259.353 1.654 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C(C)C ZINC001095556455 932716677 /nfs/dbraw/zinc/71/66/77/932716677.db2.gz RZXAFUHJCIHQRL-UGUYLWEFSA-N 2 2 289.423 1.214 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C ZINC001095556455 932716679 /nfs/dbraw/zinc/71/66/79/932716679.db2.gz RZXAFUHJCIHQRL-UGUYLWEFSA-N 2 2 289.423 1.214 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C(C)C ZINC001095556455 932716683 /nfs/dbraw/zinc/71/66/83/932716683.db2.gz RZXAFUHJCIHQRL-UGUYLWEFSA-N 2 2 289.423 1.214 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C(C)C ZINC001095556455 932716688 /nfs/dbraw/zinc/71/66/88/932716688.db2.gz RZXAFUHJCIHQRL-UGUYLWEFSA-N 2 2 289.423 1.214 20 30 CDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976551 933261093 /nfs/dbraw/zinc/26/10/93/933261093.db2.gz QSRLEISMEGAJCI-UPJWGTAASA-N 2 2 285.819 1.412 20 30 CDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976551 933261094 /nfs/dbraw/zinc/26/10/94/933261094.db2.gz QSRLEISMEGAJCI-UPJWGTAASA-N 2 2 285.819 1.412 20 30 CDEDLP CC(C)CCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000303791547 935044240 /nfs/dbraw/zinc/04/42/40/935044240.db2.gz XPUZWJJEGWYQLZ-AWEZNQCLSA-N 2 2 284.448 1.294 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015016991 935555351 /nfs/dbraw/zinc/55/53/51/935555351.db2.gz ZFDFZDUJRZUXPQ-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015016991 935555354 /nfs/dbraw/zinc/55/53/54/935555354.db2.gz ZFDFZDUJRZUXPQ-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015994809 935596881 /nfs/dbraw/zinc/59/68/81/935596881.db2.gz MQIHMFGXYCYFKG-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015994809 935596883 /nfs/dbraw/zinc/59/68/83/935596883.db2.gz MQIHMFGXYCYFKG-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015994809 935596888 /nfs/dbraw/zinc/59/68/88/935596888.db2.gz MQIHMFGXYCYFKG-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015994809 935596892 /nfs/dbraw/zinc/59/68/92/935596892.db2.gz MQIHMFGXYCYFKG-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001018008564 935657487 /nfs/dbraw/zinc/65/74/87/935657487.db2.gz MYOZDXYGXVQXLM-SOUVJXGZSA-N 2 2 288.395 1.695 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001018008564 935657492 /nfs/dbraw/zinc/65/74/92/935657492.db2.gz MYOZDXYGXVQXLM-SOUVJXGZSA-N 2 2 288.395 1.695 20 30 CDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001018300846 935665092 /nfs/dbraw/zinc/66/50/92/935665092.db2.gz JWHQHWUYBZUHAT-XHSDSOJGSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001018300846 935665096 /nfs/dbraw/zinc/66/50/96/935665096.db2.gz JWHQHWUYBZUHAT-XHSDSOJGSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001018300846 935665099 /nfs/dbraw/zinc/66/50/99/935665099.db2.gz JWHQHWUYBZUHAT-XHSDSOJGSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001018300846 935665103 /nfs/dbraw/zinc/66/51/03/935665103.db2.gz JWHQHWUYBZUHAT-XHSDSOJGSA-N 2 2 291.439 1.722 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038237562 935738405 /nfs/dbraw/zinc/73/84/05/935738405.db2.gz 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ZINC001038424619 935745269 /nfs/dbraw/zinc/74/52/69/935745269.db2.gz SJLRRBMYGGVGQY-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038461526 935746350 /nfs/dbraw/zinc/74/63/50/935746350.db2.gz GADNXYUANIVJSQ-AWEZNQCLSA-N 2 2 282.347 1.162 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038461526 935746354 /nfs/dbraw/zinc/74/63/54/935746354.db2.gz GADNXYUANIVJSQ-AWEZNQCLSA-N 2 2 282.347 1.162 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038652221 935751533 /nfs/dbraw/zinc/75/15/33/935751533.db2.gz OEKUGBAZRCSUCX-CYBMUJFWSA-N 2 2 277.368 1.331 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038652221 935751536 /nfs/dbraw/zinc/75/15/36/935751536.db2.gz OEKUGBAZRCSUCX-CYBMUJFWSA-N 2 2 277.368 1.331 20 30 CDEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039301037 935771113 /nfs/dbraw/zinc/77/11/13/935771113.db2.gz COTBRUCSVMFYJE-LQDVMPOASA-N 2 2 288.395 1.640 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246730 935815517 /nfs/dbraw/zinc/81/55/17/935815517.db2.gz HZZHVQFDZJOGMP-ZFWWWQNUSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246730 935815519 /nfs/dbraw/zinc/81/55/19/935815519.db2.gz HZZHVQFDZJOGMP-ZFWWWQNUSA-N 2 2 288.395 1.451 20 30 CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001044647131 935866520 /nfs/dbraw/zinc/86/65/20/935866520.db2.gz IRJMTUYEZQQNMI-OCCSQVGLSA-N 2 2 296.374 1.779 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001044876711 935871840 /nfs/dbraw/zinc/87/18/40/935871840.db2.gz BSOOHNRQWOGETR-STQMWFEESA-N 2 2 262.357 1.038 20 30 CDEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293974 938475907 /nfs/dbraw/zinc/47/59/07/938475907.db2.gz POWWMRZXNGAWBW-CQSZACIVSA-N 2 2 278.400 1.676 20 30 CDEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293974 938475909 /nfs/dbraw/zinc/47/59/09/938475909.db2.gz POWWMRZXNGAWBW-CQSZACIVSA-N 2 2 278.400 1.676 20 30 CDEDLP Cc1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc1C#N ZINC001158260616 938601140 /nfs/dbraw/zinc/60/11/40/938601140.db2.gz GEMVCRFXPDCDFV-ZDUSSCGKSA-N 2 2 285.395 1.264 20 30 CDEDLP Cc1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc1C#N ZINC001158260616 938601141 /nfs/dbraw/zinc/60/11/41/938601141.db2.gz GEMVCRFXPDCDFV-ZDUSSCGKSA-N 2 2 285.395 1.264 20 30 CDEDLP C#CCC[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162909716 939160289 /nfs/dbraw/zinc/16/02/89/939160289.db2.gz CYVURGUIQLLZAL-UHFFFAOYSA-N 2 2 273.380 1.740 20 30 CDEDLP C#CC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165749741 939576296 /nfs/dbraw/zinc/57/62/96/939576296.db2.gz ITKTVAOOPDWXTH-UHFFFAOYSA-N 2 2 296.374 1.686 20 30 CDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205119582 939824924 /nfs/dbraw/zinc/82/49/24/939824924.db2.gz WGNMWPNOWLEUAO-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CCN(CC[N@H+](CC)CCn1cc[nH+]c1)C(=O)OCC ZINC001209025049 940425809 /nfs/dbraw/zinc/42/58/09/940425809.db2.gz YZNJHBNRGPTJAA-UHFFFAOYSA-N 2 2 294.399 1.850 20 30 CDEDLP C=CCN(CC[N@@H+](CC)CCn1cc[nH+]c1)C(=O)OCC ZINC001209025049 940425811 /nfs/dbraw/zinc/42/58/11/940425811.db2.gz YZNJHBNRGPTJAA-UHFFFAOYSA-N 2 2 294.399 1.850 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531254 940827247 /nfs/dbraw/zinc/82/72/47/940827247.db2.gz UWGSYFFHDYMMCC-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP Cc1ncc(C#N)cc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218659198 941255050 /nfs/dbraw/zinc/25/50/50/941255050.db2.gz NWKFGGJXCFGBGU-AWEZNQCLSA-N 2 2 295.346 1.473 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227840041 942236512 /nfs/dbraw/zinc/23/65/12/942236512.db2.gz VKNOJNYUHJKBMK-HUUCEWRRSA-N 2 2 288.395 1.314 20 30 CDEDLP C#CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236939590 944620670 /nfs/dbraw/zinc/62/06/70/944620670.db2.gz SZOUNMKERXAYAW-UHFFFAOYSA-N 2 2 275.371 1.643 20 30 CDEDLP C#CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236939590 944620676 /nfs/dbraw/zinc/62/06/76/944620676.db2.gz SZOUNMKERXAYAW-UHFFFAOYSA-N 2 2 275.371 1.643 20 30 CDEDLP CC[N@H+](Cc1ccnc(C#N)c1)C1CC[NH+](C)CC1 ZINC001237470478 944801032 /nfs/dbraw/zinc/80/10/32/944801032.db2.gz RDUAIRFVUBNFES-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP CC[N@@H+](Cc1ccnc(C#N)c1)C1CC[NH+](C)CC1 ZINC001237470478 944801037 /nfs/dbraw/zinc/80/10/37/944801037.db2.gz RDUAIRFVUBNFES-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001262576454 946728776 /nfs/dbraw/zinc/72/87/76/946728776.db2.gz PWYJXPFQGYEMIV-QWHCGFSZSA-N 2 2 255.406 1.463 20 30 CDEDLP C[C@H](CCCC#N)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246146939 947989282 /nfs/dbraw/zinc/98/92/82/947989282.db2.gz OXXJVPBXTZMIDV-ZIAGYGMSSA-N 3 2 264.417 1.533 20 30 CDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246766059 948430406 /nfs/dbraw/zinc/43/04/06/948430406.db2.gz JQPQZVYMOVEMTB-JYJNAYRXSA-N 2 2 280.412 1.565 20 30 CDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246766059 948430410 /nfs/dbraw/zinc/43/04/10/948430410.db2.gz JQPQZVYMOVEMTB-JYJNAYRXSA-N 2 2 280.412 1.565 20 30 CDEDLP C=CCOC[C@H](O)C[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001252483375 951348409 /nfs/dbraw/zinc/34/84/09/951348409.db2.gz UFFJDHWALCNKIM-QGZVFWFLSA-N 2 2 290.407 1.272 20 30 CDEDLP C#Cc1cccc(C[NH2+]C[C@@H](O)C[NH+](CC)CC)c1 ZINC001253207279 951804281 /nfs/dbraw/zinc/80/42/81/951804281.db2.gz CYIAXOGSRITVFV-MRXNPFEDSA-N 2 2 260.381 1.460 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001253211485 951810861 /nfs/dbraw/zinc/81/08/61/951810861.db2.gz XHHILCVISWOZBL-MRXNPFEDSA-N 2 2 287.407 1.840 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001366738261 957158460 /nfs/dbraw/zinc/15/84/60/957158460.db2.gz MQHOHAMPXXRDBS-CYBMUJFWSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001366738261 957158466 /nfs/dbraw/zinc/15/84/66/957158466.db2.gz MQHOHAMPXXRDBS-CYBMUJFWSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001366738261 957158473 /nfs/dbraw/zinc/15/84/73/957158473.db2.gz MQHOHAMPXXRDBS-CYBMUJFWSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001366738261 957158492 /nfs/dbraw/zinc/15/84/92/957158492.db2.gz MQHOHAMPXXRDBS-CYBMUJFWSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001421218417 963503189 /nfs/dbraw/zinc/50/31/89/963503189.db2.gz HFPVXWUHPDNUPX-AWEZNQCLSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001421218417 963503193 /nfs/dbraw/zinc/50/31/93/963503193.db2.gz HFPVXWUHPDNUPX-AWEZNQCLSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001421218417 963503197 /nfs/dbraw/zinc/50/31/97/963503197.db2.gz HFPVXWUHPDNUPX-AWEZNQCLSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001421218417 963503200 /nfs/dbraw/zinc/50/32/00/963503200.db2.gz HFPVXWUHPDNUPX-AWEZNQCLSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001377481356 975044524 /nfs/dbraw/zinc/04/45/24/975044524.db2.gz WBPQBUMKDBOWCP-CYBMUJFWSA-N 2 2 296.802 1.382 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001377481356 975044531 /nfs/dbraw/zinc/04/45/31/975044531.db2.gz WBPQBUMKDBOWCP-CYBMUJFWSA-N 2 2 296.802 1.382 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001406118424 976043300 /nfs/dbraw/zinc/04/33/00/976043300.db2.gz BDMQVIJCFSUFDH-UHFFFAOYSA-N 2 2 275.824 1.471 20 30 CDEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001381484549 976847965 /nfs/dbraw/zinc/84/79/65/976847965.db2.gz ZDKZWOKNPCGKOA-UHFFFAOYSA-N 2 2 298.818 1.779 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001403961185 977281822 /nfs/dbraw/zinc/28/18/22/977281822.db2.gz OJIDYCBPIMRQEM-LLVKDONJSA-N 2 2 298.818 1.825 20 30 CDEDLP C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)C1=CC[N@H+](C)CC1 ZINC000329686186 361762206 /nfs/dbraw/zinc/76/22/06/361762206.db2.gz ALZQJBLJMPYQPJ-LBPRGKRZSA-N 2 2 291.399 1.416 20 30 CDEDLP C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)C1=CC[N@@H+](C)CC1 ZINC000329686186 361762213 /nfs/dbraw/zinc/76/22/13/361762213.db2.gz ALZQJBLJMPYQPJ-LBPRGKRZSA-N 2 2 291.399 1.416 20 30 CDEDLP COC1CC[NH+](CCNc2cc(C)[nH+]cc2C#N)CC1 ZINC000591821047 342647440 /nfs/dbraw/zinc/64/74/40/342647440.db2.gz GZGLDBYVTQKGFI-UHFFFAOYSA-N 2 2 274.368 1.206 20 30 CDEDLP Cc1cccn2cc(CCNC(=O)[C@@H]([NH3+])CCCC#N)[nH+]c12 ZINC000592199292 342676210 /nfs/dbraw/zinc/67/62/10/342676210.db2.gz ZNCYNVLZPCXNEA-AWEZNQCLSA-N 2 2 299.378 1.323 20 30 CDEDLP N#CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000594611192 342926860 /nfs/dbraw/zinc/92/68/60/342926860.db2.gz DHNGHCRGAQGDJL-AWEZNQCLSA-N 2 2 263.385 1.523 20 30 CDEDLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595889628 343181888 /nfs/dbraw/zinc/18/18/88/343181888.db2.gz APBGOPYDMUFLBL-DOMZBBRYSA-N 2 2 259.353 1.149 20 30 CDEDLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595889628 343181889 /nfs/dbraw/zinc/18/18/89/343181889.db2.gz APBGOPYDMUFLBL-DOMZBBRYSA-N 2 2 259.353 1.149 20 30 CDEDLP N#Cc1ccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000596649247 343370734 /nfs/dbraw/zinc/37/07/34/343370734.db2.gz DDVSUSWSRFDHLW-IAGOWNOFSA-N 2 2 285.391 1.457 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[NH+]1CCCC1 ZINC000602584858 344476923 /nfs/dbraw/zinc/47/69/23/344476923.db2.gz BVYGTJWKZSXDJF-CQSZACIVSA-N 2 2 265.401 1.771 20 30 CDEDLP CC(C)[NH2+]C1(CO)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602834288 344617914 /nfs/dbraw/zinc/61/79/14/344617914.db2.gz AAWQGYRGSQLHLX-UHFFFAOYSA-N 2 2 265.401 1.505 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000602513003 350117471 /nfs/dbraw/zinc/11/74/71/350117471.db2.gz YUPYOUBDIHGKSS-GFCCVEGCSA-N 2 2 256.353 1.527 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000602513003 350117475 /nfs/dbraw/zinc/11/74/75/350117475.db2.gz YUPYOUBDIHGKSS-GFCCVEGCSA-N 2 2 256.353 1.527 20 30 CDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603910152 350326268 /nfs/dbraw/zinc/32/62/68/350326268.db2.gz KVQCVEODEHSZTC-MRVWCRGKSA-N 2 2 284.363 1.036 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NCCn1c(C)[nH+]c2ccccc21 ZINC000264071033 362958145 /nfs/dbraw/zinc/95/81/45/362958145.db2.gz GEUMNFJRIFGGSK-NSHDSACASA-N 2 2 289.383 1.284 20 30 CDEDLP CC(C)(C)NC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264107217 362969209 /nfs/dbraw/zinc/96/92/09/362969209.db2.gz NZISPCMLSJBMTI-UHFFFAOYSA-N 2 2 259.357 1.808 20 30 CDEDLP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000264132746 362975531 /nfs/dbraw/zinc/97/55/31/362975531.db2.gz YKZJCRVBXXFIQU-OAHLLOKOSA-N 2 2 290.411 1.867 20 30 CDEDLP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000264132746 362975535 /nfs/dbraw/zinc/97/55/35/362975535.db2.gz YKZJCRVBXXFIQU-OAHLLOKOSA-N 2 2 290.411 1.867 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000299309873 357019085 /nfs/dbraw/zinc/01/90/85/357019085.db2.gz JJEUXGABBICRBO-KRWDZBQOSA-N 2 2 299.418 1.457 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000449388824 358528995 /nfs/dbraw/zinc/52/89/95/358528995.db2.gz QJXADZUAXMGWRR-MCIONIFRSA-N 2 2 251.374 1.115 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000449388824 358528996 /nfs/dbraw/zinc/52/89/96/358528996.db2.gz QJXADZUAXMGWRR-MCIONIFRSA-N 2 2 251.374 1.115 20 30 CDEDLP C=CCOCCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000348029024 359777246 /nfs/dbraw/zinc/77/72/46/359777246.db2.gz DZUZYNKGAFDJGT-UHFFFAOYSA-N 2 2 276.384 1.500 20 30 CDEDLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329368348 361491785 /nfs/dbraw/zinc/49/17/85/361491785.db2.gz JDLCCFOEWDYJQX-LBPRGKRZSA-N 2 2 291.399 1.250 20 30 CDEDLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329368348 361491787 /nfs/dbraw/zinc/49/17/87/361491787.db2.gz JDLCCFOEWDYJQX-LBPRGKRZSA-N 2 2 291.399 1.250 20 30 CDEDLP CC[C@@H]1CCCC[N@@H+]1CCNC[C@@H](O)C[NH+](C)CCC#N ZINC000583626018 361567116 /nfs/dbraw/zinc/56/71/16/361567116.db2.gz BHCPZHJXTNNDAO-HZPDHXFCSA-N 2 2 296.459 1.047 20 30 CDEDLP CC[C@@H]1CCCC[N@H+]1CCNC[C@@H](O)C[NH+](C)CCC#N ZINC000583626018 361567124 /nfs/dbraw/zinc/56/71/24/361567124.db2.gz BHCPZHJXTNNDAO-HZPDHXFCSA-N 2 2 296.459 1.047 20 30 CDEDLP CC[C@@H]1CCCC[NH+]1CCNC[C@@H](O)C[N@H+](C)CCC#N ZINC000583626018 361567130 /nfs/dbraw/zinc/56/71/30/361567130.db2.gz BHCPZHJXTNNDAO-HZPDHXFCSA-N 2 2 296.459 1.047 20 30 CDEDLP CC[C@@H]1CCCC[NH+]1CCNC[C@@H](O)C[N@@H+](C)CCC#N ZINC000583626018 361567136 /nfs/dbraw/zinc/56/71/36/361567136.db2.gz BHCPZHJXTNNDAO-HZPDHXFCSA-N 2 2 296.459 1.047 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)CC1 ZINC000276568384 193384021 /nfs/dbraw/zinc/38/40/21/193384021.db2.gz IBFXQUCQVGDGIN-AWEZNQCLSA-N 2 2 288.395 1.568 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246222606 376569910 /nfs/dbraw/zinc/56/99/10/376569910.db2.gz QXVDDXPSYJGHIF-KGLIPLIRSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246222606 376569919 /nfs/dbraw/zinc/56/99/19/376569919.db2.gz QXVDDXPSYJGHIF-KGLIPLIRSA-N 2 2 265.401 1.095 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000152989296 390818561 /nfs/dbraw/zinc/81/85/61/390818561.db2.gz BAGDATFJORLFKH-ZBFHGGJFSA-N 3 2 265.445 1.957 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000152989296 390818566 /nfs/dbraw/zinc/81/85/66/390818566.db2.gz BAGDATFJORLFKH-ZBFHGGJFSA-N 3 2 265.445 1.957 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791667 390916617 /nfs/dbraw/zinc/91/66/17/390916617.db2.gz QXVDDXPSYJGHIF-UONOGXRCSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791667 390916618 /nfs/dbraw/zinc/91/66/18/390916618.db2.gz QXVDDXPSYJGHIF-UONOGXRCSA-N 2 2 265.401 1.095 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000295028905 391053777 /nfs/dbraw/zinc/05/37/77/391053777.db2.gz OKFFOZIMMVRTLH-CQSZACIVSA-N 2 2 260.385 1.416 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000295028905 391053782 /nfs/dbraw/zinc/05/37/82/391053782.db2.gz OKFFOZIMMVRTLH-CQSZACIVSA-N 2 2 260.385 1.416 20 30 CDEDLP C(#CC[NH+]1CCSCC1)C[NH+]1CCSCC1 ZINC000351632173 391085510 /nfs/dbraw/zinc/08/55/10/391085510.db2.gz IOYSQNVAFQLUAN-UHFFFAOYSA-N 2 2 256.440 1.087 20 30 CDEDLP CC[NH+]1CCC(NC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329859189 391789971 /nfs/dbraw/zinc/78/99/71/391789971.db2.gz WMQIRWBGYZFGPN-UHFFFAOYSA-N 2 2 277.372 1.097 20 30 CDEDLP C[C@H]1C[NH+]=C(NC[C@H](c2cccc(F)c2)[NH+](C)C)N1 ZINC000262649485 391806916 /nfs/dbraw/zinc/80/69/16/391806916.db2.gz KAFDPJRNOYWMLP-GXFFZTMASA-N 2 2 264.348 1.366 20 30 CDEDLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000234955838 140232853 /nfs/dbraw/zinc/23/28/53/140232853.db2.gz VKQRLPQWLAYBCH-WFASDCNBSA-N 2 2 273.380 1.997 20 30 CDEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000234955838 140232854 /nfs/dbraw/zinc/23/28/54/140232854.db2.gz VKQRLPQWLAYBCH-WFASDCNBSA-N 2 2 273.380 1.997 20 30 CDEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000113516055 397662993 /nfs/dbraw/zinc/66/29/93/397662993.db2.gz FBQAXBLSYPKJLY-AWEZNQCLSA-N 2 2 292.427 1.213 20 30 CDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000113516055 397662994 /nfs/dbraw/zinc/66/29/94/397662994.db2.gz FBQAXBLSYPKJLY-AWEZNQCLSA-N 2 2 292.427 1.213 20 30 CDEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCc1sc(C)nc1C ZINC000157930550 261155229 /nfs/dbraw/zinc/15/52/29/261155229.db2.gz HRHQPMVAMDJYIP-UHFFFAOYSA-N 2 2 292.412 1.322 20 30 CDEDLP C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159955537 261200200 /nfs/dbraw/zinc/20/02/00/261200200.db2.gz MXEAOLPULQQWMT-RQJABVFESA-N 2 2 275.400 1.750 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)C(C)(C)C)CC1 ZINC000490925479 261249973 /nfs/dbraw/zinc/24/99/73/261249973.db2.gz WHFPWIUIOFJJBA-CQSZACIVSA-N 2 2 279.428 1.178 20 30 CDEDLP CNC(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)=[NH+]C ZINC000277284604 263040529 /nfs/dbraw/zinc/04/05/29/263040529.db2.gz KHBOMMJSUZSENS-AWEZNQCLSA-N 2 2 292.452 1.399 20 30 CDEDLP CNC(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)=[NH+]C ZINC000277284604 263040530 /nfs/dbraw/zinc/04/05/30/263040530.db2.gz KHBOMMJSUZSENS-AWEZNQCLSA-N 2 2 292.452 1.399 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371349092 267393163 /nfs/dbraw/zinc/39/31/63/267393163.db2.gz FQFHAHVLQCVLHB-OCCSQVGLSA-N 2 2 271.836 1.697 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371349092 267393166 /nfs/dbraw/zinc/39/31/66/267393166.db2.gz FQFHAHVLQCVLHB-OCCSQVGLSA-N 2 2 271.836 1.697 20 30 CDEDLP COc1ccc(C#N)cc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569073721 294149957 /nfs/dbraw/zinc/14/99/57/294149957.db2.gz ATBXJYKHEIZUAG-UHFFFAOYSA-N 2 2 297.362 1.612 20 30 CDEDLP CO[C@H](C)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000272909765 328201542 /nfs/dbraw/zinc/20/15/42/328201542.db2.gz NTWYMXRFUKGTEV-LLVKDONJSA-N 2 2 265.357 1.420 20 30 CDEDLP N#CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000273214907 328204801 /nfs/dbraw/zinc/20/48/01/328204801.db2.gz UMGDYEBWXYQKSE-UHFFFAOYSA-N 2 2 258.369 1.939 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423157171 330173441 /nfs/dbraw/zinc/17/34/41/330173441.db2.gz UTCXROLICMQMAY-DGAVXFQQSA-N 2 2 254.374 1.077 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)nn1 ZINC000424295786 330335970 /nfs/dbraw/zinc/33/59/70/330335970.db2.gz NJOVPYAIQSQNOG-YRGRVCCFSA-N 2 2 263.389 1.282 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)nn1 ZINC000424295786 330335971 /nfs/dbraw/zinc/33/59/71/330335971.db2.gz NJOVPYAIQSQNOG-YRGRVCCFSA-N 2 2 263.389 1.282 20 30 CDEDLP C=C(CC)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458602724 331253951 /nfs/dbraw/zinc/25/39/51/331253951.db2.gz SZYTYSCJDQZZAO-UHFFFAOYSA-N 2 2 282.432 1.278 20 30 CDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001752824551 1160544687 /nfs/dbraw/zinc/54/46/87/1160544687.db2.gz ZMWSSJWIWDLEHH-INIZCTEOSA-N 2 2 291.439 1.322 20 30 CDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001752824551 1160544689 /nfs/dbraw/zinc/54/46/89/1160544689.db2.gz ZMWSSJWIWDLEHH-INIZCTEOSA-N 2 2 291.439 1.322 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001714558669 1179215420 /nfs/dbraw/zinc/21/54/20/1179215420.db2.gz STMMYWHMIDPWAL-UHFFFAOYSA-N 2 2 261.797 1.129 20 30 CDEDLP [NH2+]=C(NCCc1[nH]c2ccccc2[nH+]1)N1CCSCC1 ZINC000069514420 526800226 /nfs/dbraw/zinc/80/02/26/526800226.db2.gz VXHAGEUDMKCSJM-UHFFFAOYSA-N 2 2 289.408 1.469 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000730106969 574850894 /nfs/dbraw/zinc/85/08/94/574850894.db2.gz WKXIZXZLXGZDEF-HNNXBMFYSA-N 2 2 286.379 1.144 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000730106969 574850896 /nfs/dbraw/zinc/85/08/96/574850896.db2.gz WKXIZXZLXGZDEF-HNNXBMFYSA-N 2 2 286.379 1.144 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@H]2CCCOC2)cc1 ZINC000769878938 575394445 /nfs/dbraw/zinc/39/44/45/575394445.db2.gz RDZJXPHLXNQRJO-AWEZNQCLSA-N 2 2 291.395 1.812 20 30 CDEDLP C[C@@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[N@@H+]1C ZINC000761857100 576598559 /nfs/dbraw/zinc/59/85/59/576598559.db2.gz HGLIONPHZGCSLU-SNVBAGLBSA-N 2 2 271.328 1.154 20 30 CDEDLP C[C@@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[N@H+]1C ZINC000761857100 576598562 /nfs/dbraw/zinc/59/85/62/576598562.db2.gz HGLIONPHZGCSLU-SNVBAGLBSA-N 2 2 271.328 1.154 20 30 CDEDLP Cc1[nH+]c(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c2ccccn12 ZINC000753937930 576867497 /nfs/dbraw/zinc/86/74/97/576867497.db2.gz HVSCXADHRRMSAO-CHWSQXEVSA-N 2 2 296.378 1.837 20 30 CDEDLP N#Cc1cccn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1=O ZINC000758223631 577085561 /nfs/dbraw/zinc/08/55/61/577085561.db2.gz OICSPQOTVOQARR-CQSZACIVSA-N 2 2 283.335 1.211 20 30 CDEDLP N#Cc1cccn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1=O ZINC000758223631 577085565 /nfs/dbraw/zinc/08/55/65/577085565.db2.gz OICSPQOTVOQARR-CQSZACIVSA-N 2 2 283.335 1.211 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097353 613335134 /nfs/dbraw/zinc/33/51/34/613335134.db2.gz GZQNXBSJIFBAFC-ZFWWWQNUSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097353 613335135 /nfs/dbraw/zinc/33/51/35/613335135.db2.gz GZQNXBSJIFBAFC-ZFWWWQNUSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000969317813 613349391 /nfs/dbraw/zinc/34/93/91/613349391.db2.gz IUWONWMUJIWGSE-CYBMUJFWSA-N 2 2 284.363 1.715 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981471990 613693044 /nfs/dbraw/zinc/69/30/44/613693044.db2.gz ARHOSBHCWNPEJV-CQSZACIVSA-N 2 2 288.395 1.166 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981471990 613693045 /nfs/dbraw/zinc/69/30/45/613693045.db2.gz ARHOSBHCWNPEJV-CQSZACIVSA-N 2 2 288.395 1.166 20 30 CDEDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925894488 617989270 /nfs/dbraw/zinc/98/92/70/617989270.db2.gz ZCYDXNGYYIQQJK-YPMHNXCESA-N 2 2 259.357 1.095 20 30 CDEDLP N#C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786476 626094306 /nfs/dbraw/zinc/09/43/06/626094306.db2.gz JRKRFMOPQQWMBF-UONOGXRCSA-N 2 2 263.385 1.381 20 30 CDEDLP N#C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786476 626094307 /nfs/dbraw/zinc/09/43/07/626094307.db2.gz JRKRFMOPQQWMBF-UONOGXRCSA-N 2 2 263.385 1.381 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397563017 1158577690 /nfs/dbraw/zinc/57/76/90/1158577690.db2.gz BNJISEPEVQZHEE-KGLIPLIRSA-N 2 2 253.390 1.315 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397563017 1158577693 /nfs/dbraw/zinc/57/76/93/1158577693.db2.gz BNJISEPEVQZHEE-KGLIPLIRSA-N 2 2 253.390 1.315 20 30 CDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969850 1160123866 /nfs/dbraw/zinc/12/38/66/1160123866.db2.gz GMJBDNKMBILTMC-OKFLDJDMSA-N 2 2 293.411 1.218 20 30 CDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969850 1160123870 /nfs/dbraw/zinc/12/38/70/1160123870.db2.gz GMJBDNKMBILTMC-OKFLDJDMSA-N 2 2 293.411 1.218 20 30 CDEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222494 1163201961 /nfs/dbraw/zinc/20/19/61/1163201961.db2.gz YOURIOBTPCTRGB-KGLIPLIRSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222494 1163201968 /nfs/dbraw/zinc/20/19/68/1163201968.db2.gz YOURIOBTPCTRGB-KGLIPLIRSA-N 2 2 276.384 1.428 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000829581881 1165381029 /nfs/dbraw/zinc/38/10/29/1165381029.db2.gz FDFSYXZMYAOZEH-CYBMUJFWSA-N 2 2 282.347 1.390 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000829581881 1165381035 /nfs/dbraw/zinc/38/10/35/1165381035.db2.gz FDFSYXZMYAOZEH-CYBMUJFWSA-N 2 2 282.347 1.390 20 30 CDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001692152526 1175684208 /nfs/dbraw/zinc/68/42/08/1175684208.db2.gz GRUFNUIWUQMFGW-GJZGRUSLSA-N 2 2 288.395 1.438 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001692152526 1175684217 /nfs/dbraw/zinc/68/42/17/1175684217.db2.gz GRUFNUIWUQMFGW-GJZGRUSLSA-N 2 2 288.395 1.438 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001714558669 1179215416 /nfs/dbraw/zinc/21/54/16/1179215416.db2.gz STMMYWHMIDPWAL-UHFFFAOYSA-N 2 2 261.797 1.129 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001752672131 1184890866 /nfs/dbraw/zinc/89/08/66/1184890866.db2.gz RCJFDAYATDYMTB-MGPQQGTHSA-N 2 2 290.411 1.791 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001752672131 1184890873 /nfs/dbraw/zinc/89/08/73/1184890873.db2.gz RCJFDAYATDYMTB-MGPQQGTHSA-N 2 2 290.411 1.791 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752808031 1184918778 /nfs/dbraw/zinc/91/87/78/1184918778.db2.gz SKRVZCSXDWJIQP-GJZGRUSLSA-N 2 2 290.411 1.848 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001753009762 1184993140 /nfs/dbraw/zinc/99/31/40/1184993140.db2.gz KLPWBKSJXDSUPR-ZIAGYGMSSA-N 2 2 290.411 1.506 20 30 CDEDLP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001753816065 1185342204 /nfs/dbraw/zinc/34/22/04/1185342204.db2.gz QQVBMNNKEWUIRU-LSDHHAIUSA-N 2 2 290.411 1.676 20 30 CDEDLP C=CC[NH2+]C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001754268144 1185542901 /nfs/dbraw/zinc/54/29/01/1185542901.db2.gz LTLASOZQIONYKB-LBPRGKRZSA-N 2 2 276.384 1.042 20 30 CDEDLP C=CCC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001755275912 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C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534342 938633487 /nfs/dbraw/zinc/63/34/87/938633487.db2.gz VARMDOCHGURTBU-OAHLLOKOSA-N 2 2 288.395 1.288 20 30 CDEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158646653 938645887 /nfs/dbraw/zinc/64/58/87/938645887.db2.gz RKFYNSRQIJEYAH-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158646653 938645888 /nfs/dbraw/zinc/64/58/88/938645888.db2.gz RKFYNSRQIJEYAH-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160825948 938830407 /nfs/dbraw/zinc/83/04/07/938830407.db2.gz COKICIHMKFXHAK-UHFFFAOYSA-N 2 2 292.427 1.989 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161314948 938887307 /nfs/dbraw/zinc/88/73/07/938887307.db2.gz LRPNJHYAVVXMQG-CYBMUJFWSA-N 2 2 276.384 1.118 20 30 CDEDLP COCCC1(CNc2cc(CC#N)cc[nH+]2)CC[NH2+]CC1 ZINC001161502717 938907332 /nfs/dbraw/zinc/90/73/32/938907332.db2.gz IISXXBRKKATOPI-UHFFFAOYSA-N 2 2 288.395 1.966 20 30 CDEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970700 940119280 /nfs/dbraw/zinc/11/92/80/940119280.db2.gz CEKVFEURTGAUSV-UHFFFAOYSA-N 2 2 296.802 1.464 20 30 CDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420488 940330429 /nfs/dbraw/zinc/33/04/29/940330429.db2.gz MTCDMGCVUCSBDX-AWEZNQCLSA-N 2 2 296.374 1.780 20 30 CDEDLP C#CCCC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001209263388 940454254 /nfs/dbraw/zinc/45/42/54/940454254.db2.gz KKUDTIGBVUMNEG-UHFFFAOYSA-N 2 2 270.336 1.691 20 30 CDEDLP C#CCCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001209263388 940454255 /nfs/dbraw/zinc/45/42/55/940454255.db2.gz KKUDTIGBVUMNEG-UHFFFAOYSA-N 2 2 270.336 1.691 20 30 CDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210051192 940659420 /nfs/dbraw/zinc/65/94/20/940659420.db2.gz IJTGEXQXEOIABK-KBPBESRZSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051192 940659422 /nfs/dbraw/zinc/65/94/22/940659422.db2.gz IJTGEXQXEOIABK-KBPBESRZSA-N 2 2 288.395 1.192 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302469 940681159 /nfs/dbraw/zinc/68/11/59/940681159.db2.gz CGNFRRATDWQVME-UONOGXRCSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210669415 940705243 /nfs/dbraw/zinc/70/52/43/940705243.db2.gz XFALNFTZPWUVQQ-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216396513 940936452 /nfs/dbraw/zinc/93/64/52/940936452.db2.gz AMUBNHQUWNUJKP-CHWSQXEVSA-N 2 2 288.395 1.147 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222097982 941564523 /nfs/dbraw/zinc/56/45/23/941564523.db2.gz BBRRSGRATNOVEC-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222097982 941564525 /nfs/dbraw/zinc/56/45/25/941564525.db2.gz BBRRSGRATNOVEC-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C#Cc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222502606 941604487 /nfs/dbraw/zinc/60/44/87/941604487.db2.gz NRCONAZOPZUBRY-IRXDYDNUSA-N 2 2 269.392 1.194 20 30 CDEDLP C#Cc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222502606 941604489 /nfs/dbraw/zinc/60/44/89/941604489.db2.gz NRCONAZOPZUBRY-IRXDYDNUSA-N 2 2 269.392 1.194 20 30 CDEDLP C=C(C)C[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224958565 941810201 /nfs/dbraw/zinc/81/02/01/941810201.db2.gz XXWRGYRWVJTMSB-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013334 943715191 /nfs/dbraw/zinc/71/51/91/943715191.db2.gz UIDXBQUZJPGGGS-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013334 943715193 /nfs/dbraw/zinc/71/51/93/943715193.db2.gz UIDXBQUZJPGGGS-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235987005 944352248 /nfs/dbraw/zinc/35/22/48/944352248.db2.gz DAOCIHDRVUZLTD-WBVHZDCISA-N 2 2 284.407 1.960 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235987005 944352256 /nfs/dbraw/zinc/35/22/56/944352256.db2.gz DAOCIHDRVUZLTD-WBVHZDCISA-N 2 2 284.407 1.960 20 30 CDEDLP N#Cc1cccc2c(C[N@H+]3CCC[C@@H]3C[NH3+])c[nH]c21 ZINC001236244555 944435496 /nfs/dbraw/zinc/43/54/96/944435496.db2.gz DSMGMMCWAYMPHJ-CYBMUJFWSA-N 2 2 254.337 1.963 20 30 CDEDLP N#Cc1cccc2c(C[N@@H+]3CCC[C@@H]3C[NH3+])c[nH]c21 ZINC001236244555 944435501 /nfs/dbraw/zinc/43/55/01/944435501.db2.gz DSMGMMCWAYMPHJ-CYBMUJFWSA-N 2 2 254.337 1.963 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001261500307 946147598 /nfs/dbraw/zinc/14/75/98/946147598.db2.gz NSINOCIHVKKAQV-RYUDHWBXSA-N 2 2 275.356 1.137 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252551096 951436975 /nfs/dbraw/zinc/43/69/75/951436975.db2.gz SGKDOIYWKOFWCM-ULQDDVLXSA-N 2 2 287.407 1.382 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001253391897 951875131 /nfs/dbraw/zinc/87/51/31/951875131.db2.gz BOADOMAECIUQNY-QWHCGFSZSA-N 2 2 253.390 1.361 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001253391897 951875136 /nfs/dbraw/zinc/87/51/36/951875136.db2.gz BOADOMAECIUQNY-QWHCGFSZSA-N 2 2 253.390 1.361 20 30 CDEDLP C=C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001253610095 951996750 /nfs/dbraw/zinc/99/67/50/951996750.db2.gz AJYNIWSPQSVKIA-BBWFWOEESA-N 2 2 290.407 1.412 20 30 CDEDLP C=C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001253610095 951996752 /nfs/dbraw/zinc/99/67/52/951996752.db2.gz AJYNIWSPQSVKIA-BBWFWOEESA-N 2 2 290.407 1.412 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001425686044 957599274 /nfs/dbraw/zinc/59/92/74/957599274.db2.gz QOGCSPNWNBAECW-GFCCVEGCSA-N 2 2 298.818 1.542 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001437398658 962861435 /nfs/dbraw/zinc/86/14/35/962861435.db2.gz UBJKNGHVZISYTL-GFCCVEGCSA-N 2 2 298.818 1.590 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421255713 963521601 /nfs/dbraw/zinc/52/16/01/963521601.db2.gz WFDDOYZSFLAOOZ-AWEZNQCLSA-N 2 2 296.802 1.533 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001401374561 975627735 /nfs/dbraw/zinc/62/77/35/975627735.db2.gz ANFNMBUZMWUYCP-ZDUSSCGKSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401374561 975627743 /nfs/dbraw/zinc/62/77/43/975627743.db2.gz ANFNMBUZMWUYCP-ZDUSSCGKSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001401374561 975627747 /nfs/dbraw/zinc/62/77/47/975627747.db2.gz ANFNMBUZMWUYCP-ZDUSSCGKSA-N 2 2 287.835 1.613 20 30 CDEDLP C[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)[C@@H]1C[NH3+] ZINC001576708319 1171495134 /nfs/dbraw/zinc/49/51/34/1171495134.db2.gz CHIQTANFBUKYEN-XJKSGUPXSA-N 2 2 273.380 1.996 20 30 CDEDLP C[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)[C@@H]1C[NH3+] ZINC001576708319 1171495136 /nfs/dbraw/zinc/49/51/36/1171495136.db2.gz CHIQTANFBUKYEN-XJKSGUPXSA-N 2 2 273.380 1.996 20 30 CDEDLP C=CCCSCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000596649159 343370964 /nfs/dbraw/zinc/37/09/64/343370964.db2.gz CAEKGQLMKZCRNT-UONOGXRCSA-N 2 2 270.442 1.652 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000598718515 343882567 /nfs/dbraw/zinc/88/25/67/343882567.db2.gz FQBJKKZWGXGQQD-ZDUSSCGKSA-N 2 2 264.373 1.554 20 30 CDEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000602485264 344449070 /nfs/dbraw/zinc/44/90/70/344449070.db2.gz WZQNLSLFCDBESX-BRWVUGGUSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@H](CCC#N)C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000602485264 344449073 /nfs/dbraw/zinc/44/90/73/344449073.db2.gz WZQNLSLFCDBESX-BRWVUGGUSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000602672751 344522759 /nfs/dbraw/zinc/52/27/59/344522759.db2.gz HQNYRFQCJPOQKN-KBPBESRZSA-N 2 2 253.390 1.363 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000602672751 344522761 /nfs/dbraw/zinc/52/27/61/344522761.db2.gz HQNYRFQCJPOQKN-KBPBESRZSA-N 2 2 253.390 1.363 20 30 CDEDLP N#CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000566232286 370654046 /nfs/dbraw/zinc/65/40/46/370654046.db2.gz MCGXLPUXMDCJNX-JKSUJKDBSA-N 2 2 273.380 1.373 20 30 CDEDLP N#CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000566232286 370654049 /nfs/dbraw/zinc/65/40/49/370654049.db2.gz MCGXLPUXMDCJNX-JKSUJKDBSA-N 2 2 273.380 1.373 20 30 CDEDLP CCNC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264077781 362959778 /nfs/dbraw/zinc/95/97/78/362959778.db2.gz HVJBQBSLMHPESQ-UHFFFAOYSA-N 2 2 257.341 1.356 20 30 CDEDLP CCCNC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264101504 362966749 /nfs/dbraw/zinc/96/67/49/362966749.db2.gz OEJYRDBEQBXDRT-UHFFFAOYSA-N 2 2 259.357 1.810 20 30 CDEDLP CC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000264100109 362966852 /nfs/dbraw/zinc/96/68/52/362966852.db2.gz NVWGFSBMTBALIF-CYBMUJFWSA-N 2 2 262.401 1.821 20 30 CDEDLP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000264100109 362966857 /nfs/dbraw/zinc/96/68/57/362966857.db2.gz NVWGFSBMTBALIF-CYBMUJFWSA-N 2 2 262.401 1.821 20 30 CDEDLP C#CCC[NH+]1CCN(CCCn2cc[nH+]c2C)CC1 ZINC000272066842 359444816 /nfs/dbraw/zinc/44/48/16/359444816.db2.gz XYLVYWPCGQBASL-UHFFFAOYSA-N 2 2 260.385 1.223 20 30 CDEDLP C#CCCN1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000272066842 359444820 /nfs/dbraw/zinc/44/48/20/359444820.db2.gz XYLVYWPCGQBASL-UHFFFAOYSA-N 2 2 260.385 1.223 20 30 CDEDLP C#CCn1ccc(C[N@H+](CC)CCCn2cc[nH+]c2)n1 ZINC000279667330 359590891 /nfs/dbraw/zinc/59/08/91/359590891.db2.gz DNYWJYJASQQCPP-UHFFFAOYSA-N 2 2 271.368 1.625 20 30 CDEDLP C#CCn1ccc(C[N@@H+](CC)CCCn2cc[nH+]c2)n1 ZINC000279667330 359590895 /nfs/dbraw/zinc/59/08/95/359590895.db2.gz DNYWJYJASQQCPP-UHFFFAOYSA-N 2 2 271.368 1.625 20 30 CDEDLP C=CCOCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000348043380 359793991 /nfs/dbraw/zinc/79/39/91/359793991.db2.gz GVMFCLWQFPEHQC-IAGOWNOFSA-N 2 2 295.471 1.537 20 30 CDEDLP C=CCOCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000348043380 359793994 /nfs/dbraw/zinc/79/39/94/359793994.db2.gz GVMFCLWQFPEHQC-IAGOWNOFSA-N 2 2 295.471 1.537 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](C[N@@H+](C)CC)C2)C1=O ZINC000337187051 360030200 /nfs/dbraw/zinc/03/02/00/360030200.db2.gz PHRLECFPXUCGNB-KBPBESRZSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](C[N@H+](C)CC)C2)C1=O ZINC000337187051 360030206 /nfs/dbraw/zinc/03/02/06/360030206.db2.gz PHRLECFPXUCGNB-KBPBESRZSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)CC)C2)C1=O ZINC000337187051 360030210 /nfs/dbraw/zinc/03/02/10/360030210.db2.gz PHRLECFPXUCGNB-KBPBESRZSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)CC)C2)C1=O ZINC000337187051 360030216 /nfs/dbraw/zinc/03/02/16/360030216.db2.gz PHRLECFPXUCGNB-KBPBESRZSA-N 2 2 265.401 1.047 20 30 CDEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190944167 373425345 /nfs/dbraw/zinc/42/53/45/373425345.db2.gz PUDIGHDCQVKMOP-CQSZACIVSA-N 2 2 276.384 1.097 20 30 CDEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190944167 373425351 /nfs/dbraw/zinc/42/53/51/373425351.db2.gz PUDIGHDCQVKMOP-CQSZACIVSA-N 2 2 276.384 1.097 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000292828958 374310510 /nfs/dbraw/zinc/31/05/10/374310510.db2.gz QXXVEPNWZMHVKG-HNNXBMFYSA-N 2 2 258.369 1.424 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000292828958 374310521 /nfs/dbraw/zinc/31/05/21/374310521.db2.gz QXXVEPNWZMHVKG-HNNXBMFYSA-N 2 2 258.369 1.424 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000292828958 374310523 /nfs/dbraw/zinc/31/05/23/374310523.db2.gz QXXVEPNWZMHVKG-HNNXBMFYSA-N 2 2 258.369 1.424 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000292828958 374310531 /nfs/dbraw/zinc/31/05/31/374310531.db2.gz QXXVEPNWZMHVKG-HNNXBMFYSA-N 2 2 258.369 1.424 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420353973 376335046 /nfs/dbraw/zinc/33/50/46/376335046.db2.gz CQDLHROSKGLDEG-GFCCVEGCSA-N 2 2 253.390 1.150 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718451 376803675 /nfs/dbraw/zinc/80/36/75/376803675.db2.gz MXFXZMZFWCYNIQ-HUUCEWRRSA-N 2 2 279.428 1.485 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718451 376803678 /nfs/dbraw/zinc/80/36/78/376803678.db2.gz MXFXZMZFWCYNIQ-HUUCEWRRSA-N 2 2 279.428 1.485 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246935999 377017636 /nfs/dbraw/zinc/01/76/36/377017636.db2.gz NLYPOKSTMSQWQE-CVEARBPZSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246935999 377017646 /nfs/dbraw/zinc/01/76/46/377017646.db2.gz NLYPOKSTMSQWQE-CVEARBPZSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246935999 377017654 /nfs/dbraw/zinc/01/76/54/377017654.db2.gz NLYPOKSTMSQWQE-CVEARBPZSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246935999 377017663 /nfs/dbraw/zinc/01/76/63/377017663.db2.gz NLYPOKSTMSQWQE-CVEARBPZSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CC[C@H]1[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CCCC1(C)C ZINC000571773057 377519290 /nfs/dbraw/zinc/51/92/90/377519290.db2.gz XTEXOFQZMIGYEP-JKSUJKDBSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@H]1[NH+](C[C@@H](O)C[N@H+](C)CCOC)CCCC1(C)C ZINC000571773057 377519296 /nfs/dbraw/zinc/51/92/96/377519296.db2.gz XTEXOFQZMIGYEP-JKSUJKDBSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@H]1[N@H+](C[C@@H](O)C[NH+](C)CCOC)CCCC1(C)C ZINC000571773057 377519302 /nfs/dbraw/zinc/51/93/02/377519302.db2.gz XTEXOFQZMIGYEP-JKSUJKDBSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@H]1[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CCCC1(C)C ZINC000571773057 377519308 /nfs/dbraw/zinc/51/93/08/377519308.db2.gz XTEXOFQZMIGYEP-JKSUJKDBSA-N 2 2 298.471 1.992 20 30 CDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)o1 ZINC000174409124 379473485 /nfs/dbraw/zinc/47/34/85/379473485.db2.gz HESCDYZQLMVIHZ-CYBMUJFWSA-N 2 2 289.379 1.742 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000238054602 533197037 /nfs/dbraw/zinc/19/70/37/533197037.db2.gz DVJDTZYGYXZKFH-INIZCTEOSA-N 2 2 288.391 1.245 20 30 CDEDLP CC1CCN(C(=[NH2+])NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000303252764 391102068 /nfs/dbraw/zinc/10/20/68/391102068.db2.gz BVHXSSRNFPFSAW-UHFFFAOYSA-N 2 2 282.432 1.144 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)[C@H]2CC2(C)C)CC1 ZINC000491440640 391129997 /nfs/dbraw/zinc/12/99/97/391129997.db2.gz QDVKEMHWTUEKEL-HUUCEWRRSA-N 2 2 291.439 1.178 20 30 CDEDLP C[C@@H]1C[NH+]=C(NCC[N@@H+]2CCc3sccc3C2)N1 ZINC000262675598 391810361 /nfs/dbraw/zinc/81/03/61/391810361.db2.gz TWHCNKAPZCKURU-SNVBAGLBSA-N 2 2 264.398 1.044 20 30 CDEDLP C[C@@H]1C[NH+]=C(NCC[N@H+]2CCc3sccc3C2)N1 ZINC000262675598 391810362 /nfs/dbraw/zinc/81/03/62/391810362.db2.gz TWHCNKAPZCKURU-SNVBAGLBSA-N 2 2 264.398 1.044 20 30 CDEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)COC ZINC000661240377 413913713 /nfs/dbraw/zinc/91/37/13/413913713.db2.gz NSCPQSLKLZJMIT-UONOGXRCSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)COC ZINC000661240377 413913719 /nfs/dbraw/zinc/91/37/19/413913719.db2.gz NSCPQSLKLZJMIT-UONOGXRCSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)COC ZINC000661240377 413913725 /nfs/dbraw/zinc/91/37/25/413913725.db2.gz NSCPQSLKLZJMIT-UONOGXRCSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)COC ZINC000661240377 413913733 /nfs/dbraw/zinc/91/37/33/413913733.db2.gz NSCPQSLKLZJMIT-UONOGXRCSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@@H](C)CC[NH+](C)C)nn1 ZINC000657334528 414171983 /nfs/dbraw/zinc/17/19/83/414171983.db2.gz CHTYOXNLTIIQIG-LBPRGKRZSA-N 2 2 251.378 1.284 20 30 CDEDLP C=CCC1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCCC1 ZINC000661847971 414400771 /nfs/dbraw/zinc/40/07/71/414400771.db2.gz GZHRHCWCISLPTE-UHFFFAOYSA-N 2 2 265.401 1.239 20 30 CDEDLP C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCSCC1 ZINC000330308880 228123131 /nfs/dbraw/zinc/12/31/31/228123131.db2.gz MOGAGRHDWRUIGN-NEPJUHHUSA-N 2 2 294.424 1.592 20 30 CDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480020 266295253 /nfs/dbraw/zinc/29/52/53/266295253.db2.gz PIFJPURWSUSCPT-HUUCEWRRSA-N 2 2 281.444 1.683 20 30 CDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480020 266295255 /nfs/dbraw/zinc/29/52/55/266295255.db2.gz PIFJPURWSUSCPT-HUUCEWRRSA-N 2 2 281.444 1.683 20 30 CDEDLP CC(C)[N@H+](C)CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555553091 290224894 /nfs/dbraw/zinc/22/48/94/290224894.db2.gz AWHDEJXYZNIMCQ-UHFFFAOYSA-N 2 2 286.383 1.421 20 30 CDEDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555553091 290224896 /nfs/dbraw/zinc/22/48/96/290224896.db2.gz AWHDEJXYZNIMCQ-UHFFFAOYSA-N 2 2 286.383 1.421 20 30 CDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000262171604 328146290 /nfs/dbraw/zinc/14/62/90/328146290.db2.gz VHHQXFZXAIMDTK-UHFFFAOYSA-N 2 2 278.425 1.434 20 30 CDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000262171604 328146291 /nfs/dbraw/zinc/14/62/91/328146291.db2.gz VHHQXFZXAIMDTK-UHFFFAOYSA-N 2 2 278.425 1.434 20 30 CDEDLP C=CCNC(=O)C[NH2+]Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000574993936 330126044 /nfs/dbraw/zinc/12/60/44/330126044.db2.gz HHRYKIGMEARROR-UHFFFAOYSA-N 2 2 286.379 1.850 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000328127066 330322540 /nfs/dbraw/zinc/32/25/40/330322540.db2.gz UROSGSGKOUYDKR-RRFJBIMHSA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000328127066 330322541 /nfs/dbraw/zinc/32/25/41/330322541.db2.gz UROSGSGKOUYDKR-RRFJBIMHSA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000328127066 330322542 /nfs/dbraw/zinc/32/25/42/330322542.db2.gz UROSGSGKOUYDKR-RRFJBIMHSA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000328127066 330322543 /nfs/dbraw/zinc/32/25/43/330322543.db2.gz UROSGSGKOUYDKR-RRFJBIMHSA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@H]2CC)CC1 ZINC000490923658 332129741 /nfs/dbraw/zinc/12/97/41/332129741.db2.gz LMUUNQGNBLTNOU-HUUCEWRRSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@H]2CC)CC1 ZINC000490923658 332129742 /nfs/dbraw/zinc/12/97/42/332129742.db2.gz LMUUNQGNBLTNOU-HUUCEWRRSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000491473747 332217823 /nfs/dbraw/zinc/21/78/23/332217823.db2.gz HHSHRYZYJJXUPK-MRXNPFEDSA-N 2 2 293.455 1.616 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCC)C2CCC2)CC1 ZINC000491642752 332261677 /nfs/dbraw/zinc/26/16/77/332261677.db2.gz YHLCAHMYJSDTKO-INIZCTEOSA-N 2 2 291.439 1.322 20 30 CDEDLP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001752518587 1159818271 /nfs/dbraw/zinc/81/82/71/1159818271.db2.gz VYNWWBKEZQNAAS-AWEZNQCLSA-N 2 2 288.395 1.146 20 30 CDEDLP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001752518587 1159818279 /nfs/dbraw/zinc/81/82/79/1159818279.db2.gz VYNWWBKEZQNAAS-AWEZNQCLSA-N 2 2 288.395 1.146 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329836948 538694266 /nfs/dbraw/zinc/69/42/66/538694266.db2.gz LXSXSPBJIGOATP-UHFFFAOYSA-N 2 2 289.383 1.263 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377364320 974987310 /nfs/dbraw/zinc/98/73/10/974987310.db2.gz RLSGKIYWYITIHW-CYBMUJFWSA-N 2 2 289.851 1.763 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377364320 974987313 /nfs/dbraw/zinc/98/73/13/974987313.db2.gz RLSGKIYWYITIHW-CYBMUJFWSA-N 2 2 289.851 1.763 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000730275908 574907353 /nfs/dbraw/zinc/90/73/53/574907353.db2.gz BIGRSJWBMVXVDR-XHSDSOJGSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000730275908 574907356 /nfs/dbraw/zinc/90/73/56/574907356.db2.gz BIGRSJWBMVXVDR-XHSDSOJGSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000730275908 574907359 /nfs/dbraw/zinc/90/73/59/574907359.db2.gz BIGRSJWBMVXVDR-XHSDSOJGSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000730275908 574907362 /nfs/dbraw/zinc/90/73/62/574907362.db2.gz BIGRSJWBMVXVDR-XHSDSOJGSA-N 2 2 291.439 1.463 20 30 CDEDLP COc1ccc(C(N)=[NH+]OCCCn2cc[nH+]c2C)cc1 ZINC000769565483 575360473 /nfs/dbraw/zinc/36/04/73/575360473.db2.gz YFQUEWADRMOYSP-UHFFFAOYSA-N 2 2 288.351 1.927 20 30 CDEDLP C#CCC[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000764243260 575894996 /nfs/dbraw/zinc/89/49/96/575894996.db2.gz YWFBFSPGCQQWFI-UHFFFAOYSA-N 2 2 251.399 1.509 20 30 CDEDLP C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC[N@@H+]1C ZINC000753930847 576866504 /nfs/dbraw/zinc/86/65/04/576866504.db2.gz XAJCWYLBDVTGRO-WXHSDQCUSA-N 2 2 263.389 1.317 20 30 CDEDLP C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC[N@H+]1C ZINC000753930847 576866506 /nfs/dbraw/zinc/86/65/06/576866506.db2.gz XAJCWYLBDVTGRO-WXHSDQCUSA-N 2 2 263.389 1.317 20 30 CDEDLP CN(C)c1ccc(C=[NH+]NC2=[NH+][C@H]3CCCC[C@H]3N2)cc1 ZINC000753936688 576867404 /nfs/dbraw/zinc/86/74/04/576867404.db2.gz UCJKYKFXOCOOCN-GASCZTMLSA-N 2 2 285.395 1.947 20 30 CDEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000748435011 576912514 /nfs/dbraw/zinc/91/25/14/576912514.db2.gz DWMXJKYWYAZQBG-INIZCTEOSA-N 2 2 291.439 1.180 20 30 CDEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000748435011 576912515 /nfs/dbraw/zinc/91/25/15/576912515.db2.gz DWMXJKYWYAZQBG-INIZCTEOSA-N 2 2 291.439 1.180 20 30 CDEDLP C[N@@H+]1CCCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000758120972 577072532 /nfs/dbraw/zinc/07/25/32/577072532.db2.gz XDYJEAIHQTWABW-STQMWFEESA-N 2 2 263.389 1.318 20 30 CDEDLP C[N@H+]1CCCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000758120972 577072535 /nfs/dbraw/zinc/07/25/35/577072535.db2.gz XDYJEAIHQTWABW-STQMWFEESA-N 2 2 263.389 1.318 20 30 CDEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981222533 612959169 /nfs/dbraw/zinc/95/91/69/612959169.db2.gz COGKDCNRYMKHLU-KGLIPLIRSA-N 2 2 296.374 1.598 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000981283364 613153950 /nfs/dbraw/zinc/15/39/50/613153950.db2.gz SQCACYZMGHXBGN-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000981283364 613153952 /nfs/dbraw/zinc/15/39/52/613153952.db2.gz SQCACYZMGHXBGN-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000981283364 613153954 /nfs/dbraw/zinc/15/39/54/613153954.db2.gz SQCACYZMGHXBGN-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000981283364 613153955 /nfs/dbraw/zinc/15/39/55/613153955.db2.gz SQCACYZMGHXBGN-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459563 613218003 /nfs/dbraw/zinc/21/80/03/613218003.db2.gz MSNLVZHPDGFNDU-HZPDHXFCSA-N 2 2 291.439 1.178 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459563 613218004 /nfs/dbraw/zinc/21/80/04/613218004.db2.gz MSNLVZHPDGFNDU-HZPDHXFCSA-N 2 2 291.439 1.178 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091200 613271169 /nfs/dbraw/zinc/27/11/69/613271169.db2.gz VLETVVBEYUPLET-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091200 613271170 /nfs/dbraw/zinc/27/11/70/613271170.db2.gz VLETVVBEYUPLET-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974738439 613300106 /nfs/dbraw/zinc/30/01/06/613300106.db2.gz VWLIDYJUBKPVFL-HNNXBMFYSA-N 2 2 296.374 1.636 20 30 CDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974738439 613300107 /nfs/dbraw/zinc/30/01/07/613300107.db2.gz VWLIDYJUBKPVFL-HNNXBMFYSA-N 2 2 296.374 1.636 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977588141 613380943 /nfs/dbraw/zinc/38/09/43/613380943.db2.gz LZLFJDDFZSVDEL-OLZOCXBDSA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977588141 613380944 /nfs/dbraw/zinc/38/09/44/613380944.db2.gz LZLFJDDFZSVDEL-OLZOCXBDSA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588141 613380945 /nfs/dbraw/zinc/38/09/45/613380945.db2.gz LZLFJDDFZSVDEL-OLZOCXBDSA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588141 613380946 /nfs/dbraw/zinc/38/09/46/613380946.db2.gz LZLFJDDFZSVDEL-OLZOCXBDSA-N 2 2 299.846 1.517 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000949011617 613706960 /nfs/dbraw/zinc/70/69/60/613706960.db2.gz FGKRXAPMEOPHAB-UHFFFAOYSA-N 2 2 293.455 1.970 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000949011617 613706962 /nfs/dbraw/zinc/70/69/62/613706962.db2.gz FGKRXAPMEOPHAB-UHFFFAOYSA-N 2 2 293.455 1.970 20 30 CDEDLP C[NH+]1CCN(N=C2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000848399812 617410362 /nfs/dbraw/zinc/41/03/62/617410362.db2.gz YOGVEVBRYQIZFH-CQSZACIVSA-N 2 2 250.390 1.238 20 30 CDEDLP C[NH+]1CCN(N=C2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000848399812 617410368 /nfs/dbraw/zinc/41/03/68/617410368.db2.gz YOGVEVBRYQIZFH-CQSZACIVSA-N 2 2 250.390 1.238 20 30 CDEDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000925622517 617569000 /nfs/dbraw/zinc/56/90/00/617569000.db2.gz POZPNIIBLIUJAA-WFASDCNBSA-N 2 2 259.353 1.819 20 30 CDEDLP C[C@@H]1CC(N=NC2=[NH+]CCN2)C[N@@H+]1Cc1ccccc1 ZINC000841660866 618144768 /nfs/dbraw/zinc/14/47/68/618144768.db2.gz JZZCVMYUQFKJRI-GFCCVEGCSA-N 2 2 271.368 1.186 20 30 CDEDLP C[C@@H]1CC(N=NC2=[NH+]CCN2)C[N@H+]1Cc1ccccc1 ZINC000841660866 618144773 /nfs/dbraw/zinc/14/47/73/618144773.db2.gz JZZCVMYUQFKJRI-GFCCVEGCSA-N 2 2 271.368 1.186 20 30 CDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000515060493 618569888 /nfs/dbraw/zinc/56/98/88/618569888.db2.gz MCSXHBFALJQHMD-BXUZGUMPSA-N 2 2 284.367 1.173 20 30 CDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1C ZINC000515060493 618569897 /nfs/dbraw/zinc/56/98/97/618569897.db2.gz MCSXHBFALJQHMD-BXUZGUMPSA-N 2 2 284.367 1.173 20 30 CDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817919898 677752173 /nfs/dbraw/zinc/75/21/73/677752173.db2.gz WJGMEOCGASUQJT-DOMZBBRYSA-N 2 2 259.353 1.677 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499397 678057348 /nfs/dbraw/zinc/05/73/48/678057348.db2.gz VDRWDOSIKLDALX-CQSZACIVSA-N 2 2 296.374 1.780 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499397 678057351 /nfs/dbraw/zinc/05/73/51/678057351.db2.gz VDRWDOSIKLDALX-CQSZACIVSA-N 2 2 296.374 1.780 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038777336 678078791 /nfs/dbraw/zinc/07/87/91/678078791.db2.gz ZXRLUFDWKYXJFK-GJZGRUSLSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038777336 678078794 /nfs/dbraw/zinc/07/87/94/678078794.db2.gz ZXRLUFDWKYXJFK-GJZGRUSLSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038777336 678078798 /nfs/dbraw/zinc/07/87/98/678078798.db2.gz ZXRLUFDWKYXJFK-GJZGRUSLSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038777336 678078802 /nfs/dbraw/zinc/07/88/02/678078802.db2.gz ZXRLUFDWKYXJFK-GJZGRUSLSA-N 2 2 277.412 1.073 20 30 CDEDLP CCC1(CC)CCN(C(NCC[NH+]2CCC2)=[NH+]C)C1 ZINC000261810952 678078846 /nfs/dbraw/zinc/07/88/46/678078846.db2.gz SNJPBLFOLPNKIA-UHFFFAOYSA-N 2 2 266.433 1.780 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992837212 678103157 /nfs/dbraw/zinc/10/31/57/678103157.db2.gz PJZBQSXBKWJIII-VHDGCEQUSA-N 2 2 288.395 1.355 20 30 CDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001009642885 679674868 /nfs/dbraw/zinc/67/48/68/679674868.db2.gz LRKKQPQUSJINCA-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001009642885 679674871 /nfs/dbraw/zinc/67/48/71/679674871.db2.gz LRKKQPQUSJINCA-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001009642885 679674874 /nfs/dbraw/zinc/67/48/74/679674874.db2.gz LRKKQPQUSJINCA-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001009642885 679674876 /nfs/dbraw/zinc/67/48/76/679674876.db2.gz LRKKQPQUSJINCA-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001072029098 679680831 /nfs/dbraw/zinc/68/08/31/679680831.db2.gz FOLMJIOCSMUGBZ-TZMCWYRMSA-N 2 2 288.395 1.253 20 30 CDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001072029098 679680833 /nfs/dbraw/zinc/68/08/33/679680833.db2.gz FOLMJIOCSMUGBZ-TZMCWYRMSA-N 2 2 288.395 1.253 20 30 CDEDLP CC[C@H](C)[NH2+][C@@H](CNC(NC)=[NH+]C)c1ccco1 ZINC000849023345 679682281 /nfs/dbraw/zinc/68/22/81/679682281.db2.gz MEIVBCFLKGKKGS-QWRGUYRKSA-N 2 2 252.362 1.504 20 30 CDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985480068 677875452 /nfs/dbraw/zinc/87/54/52/677875452.db2.gz GEDPESVXAXIIHY-ZIAGYGMSSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985480068 677875455 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CDEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453637 678342719 /nfs/dbraw/zinc/34/27/19/678342719.db2.gz YIJBNUVWVUPWKQ-AWEZNQCLSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453637 678342723 /nfs/dbraw/zinc/34/27/23/678342723.db2.gz YIJBNUVWVUPWKQ-AWEZNQCLSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413192 678407136 /nfs/dbraw/zinc/40/71/36/678407136.db2.gz FAGQGMLSFNRLDS-OLZOCXBDSA-N 2 2 288.395 1.548 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413192 678407139 /nfs/dbraw/zinc/40/71/39/678407139.db2.gz FAGQGMLSFNRLDS-OLZOCXBDSA-N 2 2 288.395 1.548 20 30 CDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989784049 678678831 /nfs/dbraw/zinc/67/88/31/678678831.db2.gz RXSAFPNGVKRYOJ-UHFFFAOYSA-N 2 2 276.384 1.384 20 30 CDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989784049 678678832 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C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001022310924 678849275 /nfs/dbraw/zinc/84/92/75/678849275.db2.gz KVFNRZDMIKSCSB-MELADBBJSA-N 2 2 288.395 1.258 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989586355 678989754 /nfs/dbraw/zinc/98/97/54/678989754.db2.gz MZDPNGMMWIHRHF-UHFFFAOYSA-N 2 2 276.384 1.073 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989586355 678989756 /nfs/dbraw/zinc/98/97/56/678989756.db2.gz MZDPNGMMWIHRHF-UHFFFAOYSA-N 2 2 276.384 1.073 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001042722698 679023060 /nfs/dbraw/zinc/02/30/60/679023060.db2.gz ATBJPQQDHYNYFY-UHFFFAOYSA-N 2 2 291.439 1.417 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674772 679063435 /nfs/dbraw/zinc/06/34/35/679063435.db2.gz ILZUAXPIPCWQBN-UHFFFAOYSA-N 2 2 296.802 1.628 20 30 CDEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674772 679063436 /nfs/dbraw/zinc/06/34/36/679063436.db2.gz ILZUAXPIPCWQBN-UHFFFAOYSA-N 2 2 296.802 1.628 20 30 CDEDLP C=CCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000849009748 679109019 /nfs/dbraw/zinc/10/90/19/679109019.db2.gz ISVVBJBPHKSKHY-UHFFFAOYSA-N 2 2 270.340 1.376 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001033159881 679142503 /nfs/dbraw/zinc/14/25/03/679142503.db2.gz AXBOHNWYGJFDIQ-HOTGVXAUSA-N 2 2 289.423 1.193 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC(=C)C)C1 ZINC001033159881 679142504 /nfs/dbraw/zinc/14/25/04/679142504.db2.gz AXBOHNWYGJFDIQ-HOTGVXAUSA-N 2 2 289.423 1.193 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC(=C)C)C1 ZINC001033159881 679142505 /nfs/dbraw/zinc/14/25/05/679142505.db2.gz AXBOHNWYGJFDIQ-HOTGVXAUSA-N 2 2 289.423 1.193 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867114 679158431 /nfs/dbraw/zinc/15/84/31/679158431.db2.gz PCYUHTSBVHNDHY-ZFWWWQNUSA-N 2 2 288.395 1.071 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867114 679158434 /nfs/dbraw/zinc/15/84/34/679158434.db2.gz PCYUHTSBVHNDHY-ZFWWWQNUSA-N 2 2 288.395 1.071 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301939 679205678 /nfs/dbraw/zinc/20/56/78/679205678.db2.gz SRDTVTMWJKMNLD-CQSZACIVSA-N 2 2 265.401 1.236 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301939 679205680 /nfs/dbraw/zinc/20/56/80/679205680.db2.gz SRDTVTMWJKMNLD-CQSZACIVSA-N 2 2 265.401 1.236 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592463 679206477 /nfs/dbraw/zinc/20/64/77/679206477.db2.gz ZWRCIQASAJOIIG-ZDUSSCGKSA-N 2 2 290.411 1.796 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008343509 679442884 /nfs/dbraw/zinc/44/28/84/679442884.db2.gz OCTUUWFCTPDJLL-AWEZNQCLSA-N 2 2 291.395 1.721 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008343509 679442887 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C=CC[NH+]1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030441940 679541414 /nfs/dbraw/zinc/54/14/14/679541414.db2.gz HRXCKCKRNIMGIA-AWEZNQCLSA-N 2 2 265.401 1.236 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2cnccc2o1 ZINC000883131186 679616249 /nfs/dbraw/zinc/61/62/49/679616249.db2.gz MMHUEQNNJSIWBM-UHFFFAOYSA-N 2 2 257.337 1.873 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2cnccc2o1 ZINC000883131186 679616252 /nfs/dbraw/zinc/61/62/52/679616252.db2.gz MMHUEQNNJSIWBM-UHFFFAOYSA-N 2 2 257.337 1.873 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001042034900 679636791 /nfs/dbraw/zinc/63/67/91/679636791.db2.gz NKLOKHTZUPXFHI-UONOGXRCSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001042034900 679636792 /nfs/dbraw/zinc/63/67/92/679636792.db2.gz NKLOKHTZUPXFHI-UONOGXRCSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014936900 679641242 /nfs/dbraw/zinc/64/12/42/679641242.db2.gz 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C=CCC[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001754003608 1185423537 /nfs/dbraw/zinc/42/35/37/1185423537.db2.gz KKMVEBVPSQUOHF-NSHDSACASA-N 2 2 250.346 1.013 20 30 CDEDLP C=CC[NH+]1CCN(c2nc(Cl)nc3c2C[NH2+]CC3)CC1 ZINC001165033421 721863424 /nfs/dbraw/zinc/86/34/24/721863424.db2.gz OAKYHJDKXAQTGQ-UHFFFAOYSA-N 2 2 293.802 1.084 20 30 CDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104835950 899560469 /nfs/dbraw/zinc/56/04/69/899560469.db2.gz LDEJFXCFIFCIKA-CHWSQXEVSA-N 2 2 276.384 1.212 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481703319 901845300 /nfs/dbraw/zinc/84/53/00/901845300.db2.gz DFBCGCMVDZVFDT-HUUCEWRRSA-N 2 2 290.411 1.847 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481703319 901845305 /nfs/dbraw/zinc/84/53/05/901845305.db2.gz DFBCGCMVDZVFDT-HUUCEWRRSA-N 2 2 290.411 1.847 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001567778156 1168965013 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C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001172294889 911593764 /nfs/dbraw/zinc/59/37/64/911593764.db2.gz NMPIULCFKPHTKM-SWLSCSKDSA-N 2 2 259.353 1.149 20 30 CDEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001172294889 911593773 /nfs/dbraw/zinc/59/37/73/911593773.db2.gz NMPIULCFKPHTKM-SWLSCSKDSA-N 2 2 259.353 1.149 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001088857597 911973336 /nfs/dbraw/zinc/97/33/36/911973336.db2.gz VNVTZHNPSFBLFC-MCIONIFRSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001088857597 911973355 /nfs/dbraw/zinc/97/33/55/911973355.db2.gz VNVTZHNPSFBLFC-MCIONIFRSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1C ZINC001088857597 911973371 /nfs/dbraw/zinc/97/33/71/911973371.db2.gz VNVTZHNPSFBLFC-MCIONIFRSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1C ZINC001088857597 911973385 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C=CCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202862433 936563971 /nfs/dbraw/zinc/56/39/71/936563971.db2.gz BJUWCRKSBAYAFQ-CYBMUJFWSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202862433 936563973 /nfs/dbraw/zinc/56/39/73/936563973.db2.gz BJUWCRKSBAYAFQ-CYBMUJFWSA-N 2 2 290.411 1.745 20 30 CDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185218274 919482417 /nfs/dbraw/zinc/48/24/17/919482417.db2.gz ZSICFQBEIZIRLO-KBPBESRZSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185370007 919579478 /nfs/dbraw/zinc/57/94/78/919579478.db2.gz FKTHNLVTSRYRBV-UONOGXRCSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221125 919927843 /nfs/dbraw/zinc/92/78/43/919927843.db2.gz HIZUWPQPOPVRGH-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186221125 919927853 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CDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193622462 923813539 /nfs/dbraw/zinc/81/35/39/923813539.db2.gz NKFYLIYQQGHZIC-ZDUSSCGKSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193622462 923813547 /nfs/dbraw/zinc/81/35/47/923813547.db2.gz NKFYLIYQQGHZIC-ZDUSSCGKSA-N 2 2 287.835 1.613 20 30 CDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080052645 924474860 /nfs/dbraw/zinc/47/48/60/924474860.db2.gz NMHOAVNNKLZIOH-IUODEOHRSA-N 2 2 282.347 1.018 20 30 CDEDLP CC#CC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198373180 925406906 /nfs/dbraw/zinc/40/69/06/925406906.db2.gz NTHOOCFBYMHBNP-UHFFFAOYSA-N 2 2 288.395 1.221 20 30 CDEDLP CC#CC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198373180 925406910 /nfs/dbraw/zinc/40/69/10/925406910.db2.gz NTHOOCFBYMHBNP-UHFFFAOYSA-N 2 2 288.395 1.221 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086400627 927078629 /nfs/dbraw/zinc/07/86/29/927078629.db2.gz PJZWZWPUCJPRQN-AULYBMBSSA-N 2 2 284.363 1.847 20 30 CDEDLP C=C[C@](C)(O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001252579470 929557645 /nfs/dbraw/zinc/55/76/45/929557645.db2.gz VVABNPZIPNOMAA-HNNXBMFYSA-N 2 2 261.369 1.577 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798832 930428488 /nfs/dbraw/zinc/42/84/88/930428488.db2.gz MQTJHUMWEFIDQW-NWDGAFQWSA-N 2 2 264.373 1.401 20 30 CDEDLP C#CCC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170994967 931185603 /nfs/dbraw/zinc/18/56/03/931185603.db2.gz STWWUGAWYXVFLY-UHFFFAOYSA-N 2 2 297.362 1.000 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154062336 937498831 /nfs/dbraw/zinc/49/88/31/937498831.db2.gz JTODHMFMHDCDQE-KGLIPLIRSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154062336 937498834 /nfs/dbraw/zinc/49/88/34/937498834.db2.gz JTODHMFMHDCDQE-KGLIPLIRSA-N 2 2 290.411 1.458 20 30 CDEDLP C=C(C)C[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146509784 932259604 /nfs/dbraw/zinc/25/96/04/932259604.db2.gz UJXZOYXCPABDBF-UHFFFAOYSA-N 2 2 285.351 1.163 20 30 CDEDLP Cc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ccc1C#N ZINC001158260015 938601019 /nfs/dbraw/zinc/60/10/19/938601019.db2.gz BXGHFRGLMFTJNH-AWEZNQCLSA-N 2 2 285.395 1.264 20 30 CDEDLP Cc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ccc1C#N ZINC001158260015 938601022 /nfs/dbraw/zinc/60/10/22/938601022.db2.gz BXGHFRGLMFTJNH-AWEZNQCLSA-N 2 2 285.395 1.264 20 30 CDEDLP C#CCC[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160528182 938796180 /nfs/dbraw/zinc/79/61/80/938796180.db2.gz JWWWZXIWMAZPEZ-OAHLLOKOSA-N 2 2 290.411 1.590 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160820928 938829395 /nfs/dbraw/zinc/82/93/95/938829395.db2.gz ZMDZVXJAMWPWOL-UHFFFAOYSA-N 2 2 292.427 1.989 20 30 CDEDLP C[C@@H]1CC[C@@H](C[NH3+])CN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001164468455 939476657 /nfs/dbraw/zinc/47/66/57/939476657.db2.gz QYAOQFXFNXGYBN-MNOVXSKESA-N 2 2 269.352 1.998 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ncccc1C#N)CC[NH2+]CC2 ZINC001165351402 939550126 /nfs/dbraw/zinc/55/01/26/939550126.db2.gz CSRMBTJZPVXKAA-UHFFFAOYSA-N 2 2 253.309 1.136 20 30 CDEDLP C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953396 939960573 /nfs/dbraw/zinc/96/05/73/939960573.db2.gz XKZSWUNRNWZDGG-HUUCEWRRSA-N 2 2 276.380 1.535 20 30 CDEDLP C=C(C)COc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953396 939960577 /nfs/dbraw/zinc/96/05/77/939960577.db2.gz XKZSWUNRNWZDGG-HUUCEWRRSA-N 2 2 276.380 1.535 20 30 CDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206402940 940033136 /nfs/dbraw/zinc/03/31/36/940033136.db2.gz OUVXOYXRVAFTJD-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206431454 940038074 /nfs/dbraw/zinc/03/80/74/940038074.db2.gz PUWYOECNCNWTGM-AWEZNQCLSA-N 2 2 290.411 1.848 20 30 CDEDLP C=CCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206972201 940119059 /nfs/dbraw/zinc/11/90/59/940119059.db2.gz XSQRCYQOKJTSET-UHFFFAOYSA-N 2 2 276.384 1.287 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208247587 940312610 /nfs/dbraw/zinc/31/26/10/940312610.db2.gz OFWMHYGVPFDBNI-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208247587 940312615 /nfs/dbraw/zinc/31/26/15/940312615.db2.gz OFWMHYGVPFDBNI-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305401 940681515 /nfs/dbraw/zinc/68/15/15/940681515.db2.gz XBQJZFWYHNJHMO-GFCCVEGCSA-N 2 2 262.357 1.109 20 30 CDEDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000402324481 940893720 /nfs/dbraw/zinc/89/37/20/940893720.db2.gz LKDRHNUCIQSMPW-MAZHCROVSA-N 2 2 273.380 1.793 20 30 CDEDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000402324481 940893723 /nfs/dbraw/zinc/89/37/23/940893723.db2.gz LKDRHNUCIQSMPW-MAZHCROVSA-N 2 2 273.380 1.793 20 30 CDEDLP C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000402356935 940894866 /nfs/dbraw/zinc/89/48/66/940894866.db2.gz UNJFQZHJXDMZOW-UHOFOFEASA-N 2 2 273.380 1.651 20 30 CDEDLP C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000402356935 940894868 /nfs/dbraw/zinc/89/48/68/940894868.db2.gz UNJFQZHJXDMZOW-UHOFOFEASA-N 2 2 273.380 1.651 20 30 CDEDLP Cc1ncc(C#N)cc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218659199 941254558 /nfs/dbraw/zinc/25/45/58/941254558.db2.gz NWKFGGJXCFGBGU-CQSZACIVSA-N 2 2 295.346 1.473 20 30 CDEDLP N#Cc1c[nH]c2cc(NC(=O)C3([NH3+])CC[NH2+]CC3)ccc12 ZINC001219044836 941303079 /nfs/dbraw/zinc/30/30/79/941303079.db2.gz NGCFCOKAVUVCPJ-UHFFFAOYSA-N 2 2 283.335 1.059 20 30 CDEDLP C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1cccc(C#N)c1 ZINC001220047217 941407628 /nfs/dbraw/zinc/40/76/28/941407628.db2.gz VTIUPFAAKVFGKG-IINYFYTJSA-N 2 2 283.335 1.029 20 30 CDEDLP C[N@@H+]1CCC[C@@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001254527115 947498171 /nfs/dbraw/zinc/49/81/71/947498171.db2.gz WBJRFBIPRGNJIO-MRXNPFEDSA-N 2 2 299.422 1.560 20 30 CDEDLP C[N@H+]1CCC[C@@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001254527115 947498173 /nfs/dbraw/zinc/49/81/73/947498173.db2.gz WBJRFBIPRGNJIO-MRXNPFEDSA-N 2 2 299.422 1.560 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246068163 947924408 /nfs/dbraw/zinc/92/44/08/947924408.db2.gz ZEFQGYBWJNDUPE-GJZGRUSLSA-N 2 2 284.444 1.757 20 30 CDEDLP CCCCCCCC[C@H](O)C[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246068163 947924412 /nfs/dbraw/zinc/92/44/12/947924412.db2.gz ZEFQGYBWJNDUPE-GJZGRUSLSA-N 2 2 284.444 1.757 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001366043019 956529638 /nfs/dbraw/zinc/52/96/38/956529638.db2.gz OMWFTEKBYWCLKD-CYBMUJFWSA-N 2 2 296.802 1.510 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001437266341 962780978 /nfs/dbraw/zinc/78/09/78/962780978.db2.gz CWSVSMWDONMPTB-LBPRGKRZSA-N 2 2 284.791 1.510 20 30 CDEDLP C[NH+](C)CC#CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001351341065 966916430 /nfs/dbraw/zinc/91/64/30/966916430.db2.gz YYNMNBSDVTUZEH-UHFFFAOYSA-N 2 2 271.324 1.021 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001418464300 973868940 /nfs/dbraw/zinc/86/89/40/973868940.db2.gz VFKXIIDSXSQKRS-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001418464300 973868950 /nfs/dbraw/zinc/86/89/50/973868950.db2.gz VFKXIIDSXSQKRS-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001418464300 973868956 /nfs/dbraw/zinc/86/89/56/973868956.db2.gz VFKXIIDSXSQKRS-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001418464300 973868961 /nfs/dbraw/zinc/86/89/61/973868961.db2.gz VFKXIIDSXSQKRS-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001375833521 974490302 /nfs/dbraw/zinc/49/03/02/974490302.db2.gz BWJVZOGKACQSDH-CQSZACIVSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001375833521 974490304 /nfs/dbraw/zinc/49/03/04/974490304.db2.gz BWJVZOGKACQSDH-CQSZACIVSA-N 2 2 299.846 1.661 20 30 CDEDLP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401646133 975762313 /nfs/dbraw/zinc/76/23/13/975762313.db2.gz WJHAXQXFOWWVNQ-GFCCVEGCSA-N 2 2 297.362 1.118 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001389502379 975874931 /nfs/dbraw/zinc/87/49/31/975874931.db2.gz FJFSQARODFJWFG-CHWSQXEVSA-N 2 2 287.835 1.516 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401777770 975902372 /nfs/dbraw/zinc/90/23/72/975902372.db2.gz HHKRQBYMJAUANK-LBPRGKRZSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401777770 975902379 /nfs/dbraw/zinc/90/23/79/975902379.db2.gz HHKRQBYMJAUANK-LBPRGKRZSA-N 2 2 287.835 1.517 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132533584 1163355637 /nfs/dbraw/zinc/35/56/37/1163355637.db2.gz PACQXUNDIZSMBX-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132533584 1163355646 /nfs/dbraw/zinc/35/56/46/1163355646.db2.gz PACQXUNDIZSMBX-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP N#CC[C@@]1(O)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000592150469 342668731 /nfs/dbraw/zinc/66/87/31/342668731.db2.gz DAMOGIZOTMGMHS-CQSZACIVSA-N 2 2 251.374 1.213 20 30 CDEDLP N#CC[C@@]1(O)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000592150469 342668732 /nfs/dbraw/zinc/66/87/32/342668732.db2.gz DAMOGIZOTMGMHS-CQSZACIVSA-N 2 2 251.374 1.213 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000289889738 361881513 /nfs/dbraw/zinc/88/15/13/361881513.db2.gz MFXWDIWYQBPVJX-SFHVURJKSA-N 2 2 299.418 1.978 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000289889738 361881520 /nfs/dbraw/zinc/88/15/20/361881520.db2.gz MFXWDIWYQBPVJX-SFHVURJKSA-N 2 2 299.418 1.978 20 30 CDEDLP C[NH+](C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000289889738 361881526 /nfs/dbraw/zinc/88/15/26/361881526.db2.gz MFXWDIWYQBPVJX-SFHVURJKSA-N 2 2 299.418 1.978 20 30 CDEDLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000289889738 361881533 /nfs/dbraw/zinc/88/15/33/361881533.db2.gz MFXWDIWYQBPVJX-SFHVURJKSA-N 2 2 299.418 1.978 20 30 CDEDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593971252 342858721 /nfs/dbraw/zinc/85/87/21/342858721.db2.gz GLIZUKIHGKCNOQ-SWLSCSKDSA-N 2 2 261.369 1.521 20 30 CDEDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593971252 342858722 /nfs/dbraw/zinc/85/87/22/342858722.db2.gz GLIZUKIHGKCNOQ-SWLSCSKDSA-N 2 2 261.369 1.521 20 30 CDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000595325374 343036400 /nfs/dbraw/zinc/03/64/00/343036400.db2.gz GUMPHJBXEYEPEG-GOSISDBHSA-N 2 2 299.418 1.755 20 30 CDEDLP N#Cc1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000595325374 343036403 /nfs/dbraw/zinc/03/64/03/343036403.db2.gz GUMPHJBXEYEPEG-GOSISDBHSA-N 2 2 299.418 1.755 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000598592900 343839118 /nfs/dbraw/zinc/83/91/18/343839118.db2.gz MYGUWDRNTKJNDG-CQSZACIVSA-N 2 2 276.384 1.821 20 30 CDEDLP CO[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)[C@@](C)(C[NH3+])C1 ZINC000600888163 349889211 /nfs/dbraw/zinc/88/92/11/349889211.db2.gz ZCMLPFWXNIJSPB-JKSUJKDBSA-N 2 2 273.380 1.539 20 30 CDEDLP CO[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@@](C)(C[NH3+])C1 ZINC000600888163 349889215 /nfs/dbraw/zinc/88/92/15/349889215.db2.gz ZCMLPFWXNIJSPB-JKSUJKDBSA-N 2 2 273.380 1.539 20 30 CDEDLP N#CCC1(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000602828903 344613361 /nfs/dbraw/zinc/61/33/61/344613361.db2.gz STMUTONNXLQQNM-OAHLLOKOSA-N 2 2 277.412 1.867 20 30 CDEDLP N#CCC1(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000602828903 344613362 /nfs/dbraw/zinc/61/33/62/344613362.db2.gz STMUTONNXLQQNM-OAHLLOKOSA-N 2 2 277.412 1.867 20 30 CDEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(OC(F)F)c1 ZINC000610613516 346323237 /nfs/dbraw/zinc/32/32/37/346323237.db2.gz ULRFXAHLZNBKPZ-STQMWFEESA-N 2 2 293.317 1.811 20 30 CDEDLP C=CCNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264063483 362954985 /nfs/dbraw/zinc/95/49/85/362954985.db2.gz AGUUXNYBYIOHNL-UHFFFAOYSA-N 2 2 288.395 1.109 20 30 CDEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000566092707 357241569 /nfs/dbraw/zinc/24/15/69/357241569.db2.gz KKAQAIOVYHVHQD-DOTOQJQBSA-N 2 2 285.391 1.904 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337443507 360136331 /nfs/dbraw/zinc/13/63/31/360136331.db2.gz HEJLFZZCDOSEOC-OAHLLOKOSA-N 2 2 252.402 1.997 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337443507 360136334 /nfs/dbraw/zinc/13/63/34/360136334.db2.gz HEJLFZZCDOSEOC-OAHLLOKOSA-N 2 2 252.402 1.997 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000429698021 360869049 /nfs/dbraw/zinc/86/90/49/360869049.db2.gz LRGGPFHUPBNFNN-STQMWFEESA-N 2 2 259.357 1.234 20 30 CDEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cn3)CC[C@@H]21 ZINC000565159311 365006426 /nfs/dbraw/zinc/00/64/26/365006426.db2.gz XQINBHYYUIZJHY-HOCLYGCPSA-N 2 2 270.380 1.869 20 30 CDEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cn3)CC[C@@H]21 ZINC000565159311 365006429 /nfs/dbraw/zinc/00/64/29/365006429.db2.gz XQINBHYYUIZJHY-HOCLYGCPSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cn3)CC[C@@H]21 ZINC000565159311 365006433 /nfs/dbraw/zinc/00/64/33/365006433.db2.gz XQINBHYYUIZJHY-HOCLYGCPSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cn3)CC[C@@H]21 ZINC000565159311 365006437 /nfs/dbraw/zinc/00/64/37/365006437.db2.gz XQINBHYYUIZJHY-HOCLYGCPSA-N 2 2 270.380 1.869 20 30 CDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3(C#N)CC3)c2cc1C ZINC000573597814 371593907 /nfs/dbraw/zinc/59/39/07/371593907.db2.gz VXZSZSFVYWXDNH-CQSZACIVSA-N 2 2 298.390 1.907 20 30 CDEDLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000328792164 375971671 /nfs/dbraw/zinc/97/16/71/375971671.db2.gz ADLOQSKPMWFGBQ-LBPRGKRZSA-N 2 2 288.351 1.360 20 30 CDEDLP C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000328792164 375971675 /nfs/dbraw/zinc/97/16/75/375971675.db2.gz ADLOQSKPMWFGBQ-LBPRGKRZSA-N 2 2 288.351 1.360 20 30 CDEDLP N#CCSCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000074990751 376923024 /nfs/dbraw/zinc/92/30/24/376923024.db2.gz AXHZHNKQLORQQD-OAHLLOKOSA-N 2 2 297.468 1.677 20 30 CDEDLP N#CCSCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000074990751 376923032 /nfs/dbraw/zinc/92/30/32/376923032.db2.gz AXHZHNKQLORQQD-OAHLLOKOSA-N 2 2 297.468 1.677 20 30 CDEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000120967616 379335110 /nfs/dbraw/zinc/33/51/10/379335110.db2.gz JJKCMMCCAJAECN-CQSZACIVSA-N 2 2 273.380 1.950 20 30 CDEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000120967616 379335128 /nfs/dbraw/zinc/33/51/28/379335128.db2.gz JJKCMMCCAJAECN-CQSZACIVSA-N 2 2 273.380 1.950 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(=O)[nH]n2)CC1 ZINC000278952152 194226820 /nfs/dbraw/zinc/22/68/20/194226820.db2.gz NAXZNAVELDCVEW-LBPRGKRZSA-N 2 2 276.384 1.461 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000104167930 390485693 /nfs/dbraw/zinc/48/56/93/390485693.db2.gz VHSRLSZCGIVZLX-RISCZKNCSA-N 2 2 296.390 1.368 20 30 CDEDLP CN(C)C(=[NH+]Cc1ccccc1-n1cc[nH+]c1)N(C)C ZINC000104176258 391326103 /nfs/dbraw/zinc/32/61/03/391326103.db2.gz CQJJLDWTPJATKI-UHFFFAOYSA-N 2 2 271.368 1.852 20 30 CDEDLP Cc1[nH]c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c[nH+]1 ZINC000330456766 391424857 /nfs/dbraw/zinc/42/48/57/391424857.db2.gz NYOXSQKINYZUKY-VIFPVBQESA-N 2 2 252.362 1.999 20 30 CDEDLP C[NH+]=C(NC1CCC1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261999484 391753118 /nfs/dbraw/zinc/75/31/18/391753118.db2.gz TZFZVEBMEQICGW-TZMCWYRMSA-N 2 2 275.400 1.894 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329783662 391777894 /nfs/dbraw/zinc/77/78/94/391777894.db2.gz VGWYCRBTEZVQIU-DGCLKSJQSA-N 2 2 289.383 1.095 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329783662 391777899 /nfs/dbraw/zinc/77/78/99/391777899.db2.gz VGWYCRBTEZVQIU-DGCLKSJQSA-N 2 2 289.383 1.095 20 30 CDEDLP [O-]C(=[NH+]C[C@H]1CC[N@@H+](C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000329814449 391783879 /nfs/dbraw/zinc/78/38/79/391783879.db2.gz DRQSPIRWSGOMQZ-GFCCVEGCSA-N 2 2 289.383 1.097 20 30 CDEDLP [O-]C(=[NH+]C[C@H]1CC[N@H+](C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000329814449 391783883 /nfs/dbraw/zinc/78/38/83/391783883.db2.gz DRQSPIRWSGOMQZ-GFCCVEGCSA-N 2 2 289.383 1.097 20 30 CDEDLP Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C#N)c[nH+]1 ZINC000520399484 392854481 /nfs/dbraw/zinc/85/44/81/392854481.db2.gz IFBFTLLMARYTAU-AAEUAGOBSA-N 2 2 256.353 1.721 20 30 CDEDLP Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C#N)c[nH+]1 ZINC000520399484 392854486 /nfs/dbraw/zinc/85/44/86/392854486.db2.gz IFBFTLLMARYTAU-AAEUAGOBSA-N 2 2 256.353 1.721 20 30 CDEDLP Cc1cc(N2CC[C@H](OCC[NH+](C)C)C2)c(C#N)c[nH+]1 ZINC000425246994 393003799 /nfs/dbraw/zinc/00/37/99/393003799.db2.gz YXTCSRHKBCJTEA-AWEZNQCLSA-N 2 2 274.368 1.419 20 30 CDEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657454558 414351086 /nfs/dbraw/zinc/35/10/86/414351086.db2.gz LZLGZDADZAHUNH-IUODEOHRSA-N 2 2 261.369 1.900 20 30 CDEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)N[C@@H]1C[C@H]1C ZINC000262825622 262789070 /nfs/dbraw/zinc/78/90/70/262789070.db2.gz QIGBDLLBYUIPEZ-IJLUTSLNSA-N 2 2 280.441 1.924 20 30 CDEDLP COCCOCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000273421437 263016702 /nfs/dbraw/zinc/01/67/02/263016702.db2.gz HGHLZWFKKOBFOF-UHFFFAOYSA-N 2 2 295.383 1.048 20 30 CDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)NCC1CCC1 ZINC000262723724 328151664 /nfs/dbraw/zinc/15/16/64/328151664.db2.gz RDBSJTGWLPMXHK-UHFFFAOYSA-N 2 2 298.394 1.732 20 30 CDEDLP CC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000261911139 329988720 /nfs/dbraw/zinc/98/87/20/329988720.db2.gz YFDSZTBUWSPPFB-YNEHKIRRSA-N 2 2 284.448 1.577 20 30 CDEDLP CC[N@H+](CCNC1=[NH+]CCCN1C)CCC(F)(F)F ZINC000263040533 330040079 /nfs/dbraw/zinc/04/00/79/330040079.db2.gz CHYKEIMTJQMHMO-UHFFFAOYSA-N 2 2 280.338 1.542 20 30 CDEDLP CC[N@@H+](CCNC1=[NH+]CCCN1C)CCC(F)(F)F ZINC000263040533 330040081 /nfs/dbraw/zinc/04/00/81/330040081.db2.gz CHYKEIMTJQMHMO-UHFFFAOYSA-N 2 2 280.338 1.542 20 30 CDEDLP CSc1ccc([C@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1 ZINC000263094805 330043294 /nfs/dbraw/zinc/04/32/94/330043294.db2.gz JFGOPBKKEYXACF-AWEZNQCLSA-N 2 2 292.452 1.902 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422864061 330158188 /nfs/dbraw/zinc/15/81/88/330158188.db2.gz TUFSLPSSHHSIRS-UHFFFAOYSA-N 3 2 251.418 1.744 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)nn1 ZINC000424295785 330336017 /nfs/dbraw/zinc/33/60/17/330336017.db2.gz NJOVPYAIQSQNOG-SGMGOOAPSA-N 2 2 263.389 1.282 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)nn1 ZINC000424295785 330336018 /nfs/dbraw/zinc/33/60/18/330336018.db2.gz NJOVPYAIQSQNOG-SGMGOOAPSA-N 2 2 263.389 1.282 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC(C)CC2)CC1 ZINC000490841629 332119654 /nfs/dbraw/zinc/11/96/54/332119654.db2.gz WIJUPUNTTZUTQO-UHFFFAOYSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC(C)CC2)CC1 ZINC000490841629 332119655 /nfs/dbraw/zinc/11/96/55/332119655.db2.gz WIJUPUNTTZUTQO-UHFFFAOYSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CCNC(=O)CC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000491677351 332282189 /nfs/dbraw/zinc/28/21/89/332282189.db2.gz YEWCEPUKXMNAOD-UHFFFAOYSA-N 2 2 296.374 1.161 20 30 CDEDLP C#CCNC(=O)CC[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000491723252 332308236 /nfs/dbraw/zinc/30/82/36/332308236.db2.gz BAXPBJLIWXGVRQ-UHFFFAOYSA-N 2 2 284.363 1.225 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000491746685 332324065 /nfs/dbraw/zinc/32/40/65/332324065.db2.gz BVDBIIHUYJGKQI-UHFFFAOYSA-N 2 2 257.341 1.585 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000491776761 332341857 /nfs/dbraw/zinc/34/18/57/332341857.db2.gz COKLNJUZTOFKFC-KRWDZBQOSA-N 2 2 299.418 1.553 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001113339247 1162158128 /nfs/dbraw/zinc/15/81/28/1162158128.db2.gz RLDJSYVNKFHSME-OAHLLOKOSA-N 2 2 281.444 1.827 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C(C)(C)C2)CC1 ZINC000759920488 576444158 /nfs/dbraw/zinc/44/41/58/576444158.db2.gz FEOJJFVFBCPYHG-OAHLLOKOSA-N 2 2 291.439 1.132 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC(C)(C)O)cc1 ZINC000754295568 576890926 /nfs/dbraw/zinc/89/09/26/576890926.db2.gz YSPDHYBOUAOAHS-UHFFFAOYSA-N 2 2 279.384 1.546 20 30 CDEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000972448906 613090314 /nfs/dbraw/zinc/09/03/14/613090314.db2.gz FPNWCWNMLOACAB-KBPBESRZSA-N 2 2 274.368 1.000 20 30 CDEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000972448906 613090316 /nfs/dbraw/zinc/09/03/16/613090316.db2.gz FPNWCWNMLOACAB-KBPBESRZSA-N 2 2 274.368 1.000 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981161766 613150428 /nfs/dbraw/zinc/15/04/28/613150428.db2.gz FXELHWMSCUHBNE-UHFFFAOYSA-N 2 2 291.439 1.418 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981161766 613150430 /nfs/dbraw/zinc/15/04/30/613150430.db2.gz FXELHWMSCUHBNE-UHFFFAOYSA-N 2 2 291.439 1.418 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000980264386 613288812 /nfs/dbraw/zinc/28/88/12/613288812.db2.gz OHVBFQRMYMGGSI-ZDUSSCGKSA-N 2 2 276.384 1.369 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000980264386 613288814 /nfs/dbraw/zinc/28/88/14/613288814.db2.gz OHVBFQRMYMGGSI-ZDUSSCGKSA-N 2 2 276.384 1.369 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703582 613323793 /nfs/dbraw/zinc/32/37/93/613323793.db2.gz XAOKAVPOCLWGBM-KGLIPLIRSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703582 613323795 /nfs/dbraw/zinc/32/37/95/613323795.db2.gz XAOKAVPOCLWGBM-KGLIPLIRSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981548189 613347473 /nfs/dbraw/zinc/34/74/73/613347473.db2.gz OXUVCSNOEGWQGF-ZIAGYGMSSA-N 2 2 276.384 1.476 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971928669 613637892 /nfs/dbraw/zinc/63/78/92/613637892.db2.gz NIKSVVUUJDJGTM-ZDUSSCGKSA-N 2 2 284.363 1.667 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971928669 613637894 /nfs/dbraw/zinc/63/78/94/613637894.db2.gz NIKSVVUUJDJGTM-ZDUSSCGKSA-N 2 2 284.363 1.667 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000957757538 613708398 /nfs/dbraw/zinc/70/83/98/613708398.db2.gz DBOOJECHGQZIJV-ZIAGYGMSSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000978346613 613835737 /nfs/dbraw/zinc/83/57/37/613835737.db2.gz DBDRXEBGRIHPOS-ZSOGYDGISA-N 2 2 296.374 1.657 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000978346613 613835738 /nfs/dbraw/zinc/83/57/38/613835738.db2.gz DBDRXEBGRIHPOS-ZSOGYDGISA-N 2 2 296.374 1.657 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC000961064173 613843095 /nfs/dbraw/zinc/84/30/95/613843095.db2.gz UJVBEZBJFJTABK-JYAVWHMHSA-N 2 2 282.347 1.180 20 30 CDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC000961064173 613843097 /nfs/dbraw/zinc/84/30/97/613843097.db2.gz UJVBEZBJFJTABK-JYAVWHMHSA-N 2 2 282.347 1.180 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970396494 613867099 /nfs/dbraw/zinc/86/70/99/613867099.db2.gz SIOCNDPSSYYLPA-OAHLLOKOSA-N 2 2 296.374 1.862 20 30 CDEDLP C=CC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996860236 679763455 /nfs/dbraw/zinc/76/34/55/679763455.db2.gz PWEXUBLCTIGLJK-UHFFFAOYSA-N 2 2 262.357 1.040 20 30 CDEDLP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001031987208 679764487 /nfs/dbraw/zinc/76/44/87/679764487.db2.gz XPAQCZNGHOVLHM-ZIAGYGMSSA-N 2 2 288.395 1.148 20 30 CDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034272848 679784268 /nfs/dbraw/zinc/78/42/68/679784268.db2.gz XHGOOEDCXCFCRL-HZPDHXFCSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034272848 679784270 /nfs/dbraw/zinc/78/42/70/679784270.db2.gz XHGOOEDCXCFCRL-HZPDHXFCSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034272848 679784273 /nfs/dbraw/zinc/78/42/73/679784273.db2.gz XHGOOEDCXCFCRL-HZPDHXFCSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034272848 679784275 /nfs/dbraw/zinc/78/42/75/679784275.db2.gz XHGOOEDCXCFCRL-HZPDHXFCSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001027597233 679788878 /nfs/dbraw/zinc/78/88/78/679788878.db2.gz GKVYQJTWCCOXTD-HUUCEWRRSA-N 2 2 288.395 1.390 20 30 CDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001027597233 679788880 /nfs/dbraw/zinc/78/88/80/679788880.db2.gz GKVYQJTWCCOXTD-HUUCEWRRSA-N 2 2 288.395 1.390 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000986213567 679837765 /nfs/dbraw/zinc/83/77/65/679837765.db2.gz NHVHDFPXUHGYHB-QWHCGFSZSA-N 2 2 276.384 1.497 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001032629511 679870036 /nfs/dbraw/zinc/87/00/36/679870036.db2.gz ZWXIRDQIYHJKMD-GJZGRUSLSA-N 2 2 289.423 1.027 20 30 CDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001032629511 679870037 /nfs/dbraw/zinc/87/00/37/679870037.db2.gz ZWXIRDQIYHJKMD-GJZGRUSLSA-N 2 2 289.423 1.027 20 30 CDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001032629511 679870038 /nfs/dbraw/zinc/87/00/38/679870038.db2.gz ZWXIRDQIYHJKMD-GJZGRUSLSA-N 2 2 289.423 1.027 20 30 CDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001032629511 679870039 /nfs/dbraw/zinc/87/00/39/679870039.db2.gz ZWXIRDQIYHJKMD-GJZGRUSLSA-N 2 2 289.423 1.027 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001054895930 681530369 /nfs/dbraw/zinc/53/03/69/681530369.db2.gz NBJPBMJNNPZIJP-OLZOCXBDSA-N 2 2 284.363 1.570 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001043875786 681840764 /nfs/dbraw/zinc/84/07/64/681840764.db2.gz NAUJDSHKHWOJTH-CYBMUJFWSA-N 2 2 265.401 1.047 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001043875786 681840768 /nfs/dbraw/zinc/84/07/68/681840768.db2.gz NAUJDSHKHWOJTH-CYBMUJFWSA-N 2 2 265.401 1.047 20 30 CDEDLP CC(=O)[C@](C#N)(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000877982354 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C#CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989739324 682488259 /nfs/dbraw/zinc/48/82/59/682488259.db2.gz SFLOJIQJMUHKMR-MRXNPFEDSA-N 2 2 291.439 1.274 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996458966 682493286 /nfs/dbraw/zinc/49/32/86/682493286.db2.gz YGPVTAZVTPCGHE-LBPRGKRZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001014899956 682623524 /nfs/dbraw/zinc/62/35/24/682623524.db2.gz BESAUYBUDLQQIE-CQSZACIVSA-N 2 2 290.411 1.693 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001014899956 682623526 /nfs/dbraw/zinc/62/35/26/682623526.db2.gz BESAUYBUDLQQIE-CQSZACIVSA-N 2 2 290.411 1.693 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592460 682629047 /nfs/dbraw/zinc/62/90/47/682629047.db2.gz ZWRCIQASAJOIIG-CYBMUJFWSA-N 2 2 290.411 1.796 20 30 CDEDLP C=CC[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031930887 682673388 /nfs/dbraw/zinc/67/33/88/682673388.db2.gz CPJTYWQHFFIVBN-UHFFFAOYSA-N 2 2 277.368 1.189 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001000336951 683139208 /nfs/dbraw/zinc/13/92/08/683139208.db2.gz PRIFFIBHJOJMOL-ZIAGYGMSSA-N 2 2 276.384 1.601 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001032557921 683881340 /nfs/dbraw/zinc/88/13/40/683881340.db2.gz XBUCSVDVYGRMPL-GJZGRUSLSA-N 2 2 289.423 1.169 20 30 CDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001032557921 683881343 /nfs/dbraw/zinc/88/13/43/683881343.db2.gz XBUCSVDVYGRMPL-GJZGRUSLSA-N 2 2 289.423 1.169 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC000986601504 683992206 /nfs/dbraw/zinc/99/22/06/683992206.db2.gz LCBVBTWEERSTHW-QWHCGFSZSA-N 2 2 276.384 1.118 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001014776653 684147086 /nfs/dbraw/zinc/14/70/86/684147086.db2.gz QTAXFOIJCSVCAJ-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(=C)C)C1 ZINC001014776653 684147088 /nfs/dbraw/zinc/14/70/88/684147088.db2.gz QTAXFOIJCSVCAJ-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(=C)C)C1 ZINC001014776653 684147089 /nfs/dbraw/zinc/14/70/89/684147089.db2.gz QTAXFOIJCSVCAJ-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(=C)C)C1 ZINC001014776653 684147091 /nfs/dbraw/zinc/14/70/91/684147091.db2.gz QTAXFOIJCSVCAJ-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033593956 684268249 /nfs/dbraw/zinc/26/82/49/684268249.db2.gz KWBGXHNXPSEVFO-LBPRGKRZSA-N 2 2 276.384 1.406 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033593956 684268251 /nfs/dbraw/zinc/26/82/51/684268251.db2.gz KWBGXHNXPSEVFO-LBPRGKRZSA-N 2 2 276.384 1.406 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994056552 684271289 /nfs/dbraw/zinc/27/12/89/684271289.db2.gz PZHIMEYZDUBKQU-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994056552 684271295 /nfs/dbraw/zinc/27/12/95/684271295.db2.gz PZHIMEYZDUBKQU-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488175 1162638417 /nfs/dbraw/zinc/63/84/17/1162638417.db2.gz NNURVCJCGCCSTH-ZIAGYGMSSA-N 2 2 290.411 1.506 20 30 CDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422515 1158707116 /nfs/dbraw/zinc/70/71/16/1158707116.db2.gz RYELQDUGINSLPE-ZDUSSCGKSA-N 2 2 288.395 1.098 20 30 CDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422515 1158707123 /nfs/dbraw/zinc/70/71/23/1158707123.db2.gz RYELQDUGINSLPE-ZDUSSCGKSA-N 2 2 288.395 1.098 20 30 CDEDLP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133663782 1163839123 /nfs/dbraw/zinc/83/91/23/1163839123.db2.gz HLVUZLXPRIBNEH-NSHDSACASA-N 2 2 262.357 1.112 20 30 CDEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135136455 1164131839 /nfs/dbraw/zinc/13/18/39/1164131839.db2.gz IPYUROIAGAOSAD-KGLIPLIRSA-N 2 2 276.384 1.169 20 30 CDEDLP C#CCC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001753160785 1185093041 /nfs/dbraw/zinc/09/30/41/1185093041.db2.gz AFPAOYFESZTVEN-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CCC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001753160785 1185093045 /nfs/dbraw/zinc/09/30/45/1185093045.db2.gz AFPAOYFESZTVEN-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CCC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001753160785 1185093051 /nfs/dbraw/zinc/09/30/51/1185093051.db2.gz AFPAOYFESZTVEN-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CCC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001753160785 1185093056 /nfs/dbraw/zinc/09/30/56/1185093056.db2.gz AFPAOYFESZTVEN-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001753550994 1185253573 /nfs/dbraw/zinc/25/35/73/1185253573.db2.gz CJCHZTKABOYLGX-HNNXBMFYSA-N 2 2 288.395 1.125 20 30 CDEDLP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CCc1[nH+]ccn1C ZINC001753737720 1185323843 /nfs/dbraw/zinc/32/38/43/1185323843.db2.gz VIQXETDKUUEZQO-AWEZNQCLSA-N 2 2 290.411 1.106 20 30 CDEDLP C#CCC[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001753836326 1185351188 /nfs/dbraw/zinc/35/11/88/1185351188.db2.gz ZAZUANDRMQYHSN-AWEZNQCLSA-N 2 2 276.384 1.027 20 30 CDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001754583424 1185675279 /nfs/dbraw/zinc/67/52/79/1185675279.db2.gz XEKPYADVALOJGD-AWEZNQCLSA-N 2 2 290.411 1.943 20 30 CDEDLP C=C(C)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001755836419 1186084821 /nfs/dbraw/zinc/08/48/21/1186084821.db2.gz TYDXQLJLMDZWOX-AWEZNQCLSA-N 2 2 292.427 1.659 20 30 CDEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135556493 1164154711 /nfs/dbraw/zinc/15/47/11/1164154711.db2.gz GAIPCMOFEVOWJS-NEPJUHHUSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872491 894780850 /nfs/dbraw/zinc/78/08/50/894780850.db2.gz GXAUVHWURHPCHA-UHFFFAOYSA-N 2 2 290.411 1.702 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1CCC[NH2+]C1CCCCC1 ZINC001210122875 895071718 /nfs/dbraw/zinc/07/17/18/895071718.db2.gz UAWRNCDUFNIXEB-AWEZNQCLSA-N 2 2 250.390 1.096 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167354348 895417166 /nfs/dbraw/zinc/41/71/66/895417166.db2.gz IVHNWGMJINHNGZ-CQSZACIVSA-N 2 2 290.411 1.896 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088405416 907116982 /nfs/dbraw/zinc/11/69/82/907116982.db2.gz XASYMAMLIGBYHK-CQSZACIVSA-N 2 2 290.411 1.889 20 30 CDEDLP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)C[N@@H+]1Cc1ccccc1 ZINC001171753930 910929834 /nfs/dbraw/zinc/92/98/34/910929834.db2.gz YPTVMGKXMKBORZ-OIISXLGYSA-N 2 2 284.407 1.447 20 30 CDEDLP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)C[N@H+]1Cc1ccccc1 ZINC001171753930 910929844 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C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203012134 936687287 /nfs/dbraw/zinc/68/72/87/936687287.db2.gz DLVFRUIHDSBUPS-KGLIPLIRSA-N 2 2 288.395 1.545 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001044626806 921985662 /nfs/dbraw/zinc/98/56/62/921985662.db2.gz MJMBYPOEWFGBCW-KGLIPLIRSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044626806 921985670 /nfs/dbraw/zinc/98/56/70/921985670.db2.gz MJMBYPOEWFGBCW-KGLIPLIRSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778468 923236971 /nfs/dbraw/zinc/23/69/71/923236971.db2.gz NLWQPNGKUYWJKM-DZGCQCFKSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778468 923236986 /nfs/dbraw/zinc/23/69/86/923236986.db2.gz NLWQPNGKUYWJKM-DZGCQCFKSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778468 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937481599 /nfs/dbraw/zinc/48/15/99/937481599.db2.gz UFEBXAWBMHYZSS-MGPQQGTHSA-N 2 2 288.395 1.363 20 30 CDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891257 937481600 /nfs/dbraw/zinc/48/16/00/937481600.db2.gz UFEBXAWBMHYZSS-MGPQQGTHSA-N 2 2 288.395 1.363 20 30 CDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891257 937481601 /nfs/dbraw/zinc/48/16/01/937481601.db2.gz UFEBXAWBMHYZSS-MGPQQGTHSA-N 2 2 288.395 1.363 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042920194 935830626 /nfs/dbraw/zinc/83/06/26/935830626.db2.gz VYGCRDVDAISXCZ-OAHLLOKOSA-N 2 2 293.455 1.968 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042920194 935830631 /nfs/dbraw/zinc/83/06/31/935830631.db2.gz VYGCRDVDAISXCZ-OAHLLOKOSA-N 2 2 293.455 1.968 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001122116163 937906629 /nfs/dbraw/zinc/90/66/29/937906629.db2.gz ZJUAFJCDZDXUOS-GFCCVEGCSA-N 2 2 258.325 1.956 20 30 CDEDLP N#CCc1ccc[nH+]c1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163305898 939242753 /nfs/dbraw/zinc/24/27/53/939242753.db2.gz PIQSUFWMIRRMMU-DZGCQCFKSA-N 2 2 272.352 1.471 20 30 CDEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206403686 940032644 /nfs/dbraw/zinc/03/26/44/940032644.db2.gz RXQVNGSGSIWJJF-UHFFFAOYSA-N 2 2 296.802 1.533 20 30 CDEDLP C=CCN1CC[NH+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208190083 940306119 /nfs/dbraw/zinc/30/61/19/940306119.db2.gz DJEKQPXWJVBNDQ-UHFFFAOYSA-N 2 2 265.445 1.912 20 30 CDEDLP C[NH+]1CCN(C2C[NH+](CCCc3cccc(C#N)c3)C2)CC1 ZINC001208854538 940396462 /nfs/dbraw/zinc/39/64/62/940396462.db2.gz QESDZIAJSQOKMZ-UHFFFAOYSA-N 2 2 298.434 1.422 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215709570 940903841 /nfs/dbraw/zinc/90/38/41/940903841.db2.gz AVJQRCACOKZGRD-QLFBSQMISA-N 2 2 290.411 1.847 20 30 CDEDLP C#CCC[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223042422 941653545 /nfs/dbraw/zinc/65/35/45/941653545.db2.gz CGKNZIBZAWEIIQ-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225969307 941935746 /nfs/dbraw/zinc/93/57/46/941935746.db2.gz IWYJRPBFXLYHRT-ZIAGYGMSSA-N 2 2 290.411 1.935 20 30 CDEDLP CC[N@H+](Cc1cccc(C#N)n1)C1CC[NH+](C)CC1 ZINC001232924577 943434758 /nfs/dbraw/zinc/43/47/58/943434758.db2.gz LLYVTLDJPJORQK-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP CC[N@@H+](Cc1cccc(C#N)n1)C1CC[NH+](C)CC1 ZINC001232924577 943434760 /nfs/dbraw/zinc/43/47/60/943434760.db2.gz LLYVTLDJPJORQK-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001235053848 944028287 /nfs/dbraw/zinc/02/82/87/944028287.db2.gz LPOIOFLFVIBCJO-QGZVFWFLSA-N 2 2 295.390 1.177 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001235053848 944028293 /nfs/dbraw/zinc/02/82/93/944028293.db2.gz LPOIOFLFVIBCJO-QGZVFWFLSA-N 2 2 295.390 1.177 20 30 CDEDLP N#CCC[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001277939155 944132390 /nfs/dbraw/zinc/13/23/90/944132390.db2.gz NSGRUCTYWVVTRY-UHFFFAOYSA-N 2 2 258.369 1.826 20 30 CDEDLP C[C@@H]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[NH2+]1 ZINC001246329512 948109156 /nfs/dbraw/zinc/10/91/56/948109156.db2.gz PTGRBYFHMBGOSK-OCCSQVGLSA-N 2 2 259.353 1.667 20 30 CDEDLP CC(C)C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)NO ZINC001256569231 948347440 /nfs/dbraw/zinc/34/74/40/948347440.db2.gz WHJSSUZZMGATIY-ZDUSSCGKSA-N 2 2 285.432 1.759 20 30 CDEDLP O=C1C=C2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2S1 ZINC001246693398 948406998 /nfs/dbraw/zinc/40/69/98/948406998.db2.gz JPNQHPQTLINBTL-HNGCFSAESA-N 2 2 264.394 1.544 20 30 CDEDLP O=C1C=C2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2S1 ZINC001246693398 948407001 /nfs/dbraw/zinc/40/70/01/948407001.db2.gz JPNQHPQTLINBTL-HNGCFSAESA-N 2 2 264.394 1.544 20 30 CDEDLP N#Cc1ccc(C2CCC([NH2+]C3(C[NH3+])COC3)CC2)cc1 ZINC001257010964 948481037 /nfs/dbraw/zinc/48/10/37/948481037.db2.gz OGFYNVVSYNNSHH-UHFFFAOYSA-N 2 2 285.391 1.902 20 30 CDEDLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001491623359 955322604 /nfs/dbraw/zinc/32/26/04/955322604.db2.gz GLPXXKZLVVGCGG-LBPRGKRZSA-N 2 2 297.362 1.118 20 30 CDEDLP C#C[C@H](CCC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001338520531 961854612 /nfs/dbraw/zinc/85/46/12/961854612.db2.gz ROCNHQDQNCDQOH-IAGOWNOFSA-N 2 2 274.408 1.871 20 30 CDEDLP C#C[C@H](CCC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001338520531 961854632 /nfs/dbraw/zinc/85/46/32/961854632.db2.gz ROCNHQDQNCDQOH-IAGOWNOFSA-N 2 2 274.408 1.871 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001505954510 975059592 /nfs/dbraw/zinc/05/95/92/975059592.db2.gz BOCFUNJETCVRQU-CYBMUJFWSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001505954510 975059594 /nfs/dbraw/zinc/05/95/94/975059594.db2.gz BOCFUNJETCVRQU-CYBMUJFWSA-N 2 2 299.846 1.804 20 30 CDEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000438998081 361787687 /nfs/dbraw/zinc/78/76/87/361787687.db2.gz JXZHWQBMXZKTJN-LSDHHAIUSA-N 2 2 279.428 1.661 20 30 CDEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000438998081 361787692 /nfs/dbraw/zinc/78/76/92/361787692.db2.gz JXZHWQBMXZKTJN-LSDHHAIUSA-N 2 2 279.428 1.661 20 30 CDEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000590599371 342579672 /nfs/dbraw/zinc/57/96/72/342579672.db2.gz FVTJGPUEUSIYFF-UHFFFAOYSA-N 2 2 295.346 1.668 20 30 CDEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000590599371 342579673 /nfs/dbraw/zinc/57/96/73/342579673.db2.gz FVTJGPUEUSIYFF-UHFFFAOYSA-N 2 2 295.346 1.668 20 30 CDEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000438998075 361788582 /nfs/dbraw/zinc/78/85/82/361788582.db2.gz JXZHWQBMXZKTJN-CABCVRRESA-N 2 2 279.428 1.661 20 30 CDEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000438998075 361788585 /nfs/dbraw/zinc/78/85/85/361788585.db2.gz JXZHWQBMXZKTJN-CABCVRRESA-N 2 2 279.428 1.661 20 30 CDEDLP CC[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000593461108 342803241 /nfs/dbraw/zinc/80/32/41/342803241.db2.gz HSNGJAYCOGUDQH-ZFWWWQNUSA-N 2 2 292.427 1.163 20 30 CDEDLP CC[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000593461108 342803242 /nfs/dbraw/zinc/80/32/42/342803242.db2.gz HSNGJAYCOGUDQH-ZFWWWQNUSA-N 2 2 292.427 1.163 20 30 CDEDLP CC(C)[C@H](C#N)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000593968478 342858403 /nfs/dbraw/zinc/85/84/03/342858403.db2.gz NQANZPZQCFJUKX-INIZCTEOSA-N 2 2 289.427 1.518 20 30 CDEDLP C[C@H]([NH3+])[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595889630 343181789 /nfs/dbraw/zinc/18/17/89/343181789.db2.gz APBGOPYDMUFLBL-SWLSCSKDSA-N 2 2 259.353 1.149 20 30 CDEDLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595889630 343181791 /nfs/dbraw/zinc/18/17/91/343181791.db2.gz APBGOPYDMUFLBL-SWLSCSKDSA-N 2 2 259.353 1.149 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000295084564 199336244 /nfs/dbraw/zinc/33/62/44/199336244.db2.gz UFNPREPKQDSWNZ-LBPRGKRZSA-N 2 2 260.385 1.699 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000295084564 199336245 /nfs/dbraw/zinc/33/62/45/199336245.db2.gz UFNPREPKQDSWNZ-LBPRGKRZSA-N 2 2 260.385 1.699 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602507392 344458131 /nfs/dbraw/zinc/45/81/31/344458131.db2.gz IBUBEDNEJZRMDW-LSDHHAIUSA-N 2 2 267.417 1.873 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602507392 344458133 /nfs/dbraw/zinc/45/81/33/344458133.db2.gz IBUBEDNEJZRMDW-LSDHHAIUSA-N 2 2 267.417 1.873 20 30 CDEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449393163 362688604 /nfs/dbraw/zinc/68/86/04/362688604.db2.gz BHNPLDJGOWAZKM-AWEZNQCLSA-N 2 2 267.417 1.753 20 30 CDEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449393163 362688610 /nfs/dbraw/zinc/68/86/10/362688610.db2.gz BHNPLDJGOWAZKM-AWEZNQCLSA-N 2 2 267.417 1.753 20 30 CDEDLP COc1cc(C#N)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000611235639 346704085 /nfs/dbraw/zinc/70/40/85/346704085.db2.gz ZJXIOEVBFKJAJD-ZIAGYGMSSA-N 2 2 257.337 1.218 20 30 CDEDLP C[N@@H+]1CC[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037495 179221847 /nfs/dbraw/zinc/22/18/47/179221847.db2.gz XSIVAVFMXNEAHU-FHERZECASA-N 2 2 255.365 1.904 20 30 CDEDLP C[N@H+]1CC[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037495 179221848 /nfs/dbraw/zinc/22/18/48/179221848.db2.gz XSIVAVFMXNEAHU-FHERZECASA-N 2 2 255.365 1.904 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000264090259 362964371 /nfs/dbraw/zinc/96/43/71/362964371.db2.gz KRYBBGUACPHOCL-CQSZACIVSA-N 2 2 260.385 1.770 20 30 CDEDLP Cc1[nH+]cc(C[NH2+]CCc2cccc(C#N)c2)n1C ZINC000580330532 357519155 /nfs/dbraw/zinc/51/91/55/357519155.db2.gz MPBFYVUICJXJPZ-UHFFFAOYSA-N 2 2 254.337 1.933 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](COC)c1ccccc1 ZINC000294905665 199240997 /nfs/dbraw/zinc/24/09/97/199240997.db2.gz FVQSXADHUZYCIJ-INIZCTEOSA-N 2 2 260.381 1.919 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](COC)c1ccccc1 ZINC000294905665 199240998 /nfs/dbraw/zinc/24/09/98/199240998.db2.gz FVQSXADHUZYCIJ-INIZCTEOSA-N 2 2 260.381 1.919 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000248199467 361299379 /nfs/dbraw/zinc/29/93/79/361299379.db2.gz YEFCDBLZKVVCDS-HOCLYGCPSA-N 3 2 265.445 1.957 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000248199467 361299383 /nfs/dbraw/zinc/29/93/83/361299383.db2.gz YEFCDBLZKVVCDS-HOCLYGCPSA-N 3 2 265.445 1.957 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000570890728 364086082 /nfs/dbraw/zinc/08/60/82/364086082.db2.gz AQECDOWIQBBSBZ-ZBFHGGJFSA-N 2 2 282.428 1.499 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000570890728 364086087 /nfs/dbraw/zinc/08/60/87/364086087.db2.gz AQECDOWIQBBSBZ-ZBFHGGJFSA-N 2 2 282.428 1.499 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)CC1 ZINC000638524325 370720671 /nfs/dbraw/zinc/72/06/71/370720671.db2.gz LRLIZAYWHRPBCF-ZFWWWQNUSA-N 2 2 279.428 1.674 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839424 374231558 /nfs/dbraw/zinc/23/15/58/374231558.db2.gz XDYNYADYOYMNFJ-HZPDHXFCSA-N 2 2 271.364 1.511 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839424 374231563 /nfs/dbraw/zinc/23/15/63/374231563.db2.gz XDYNYADYOYMNFJ-HZPDHXFCSA-N 2 2 271.364 1.511 20 30 CDEDLP C=CCOc1cccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1 ZINC000131548515 377667024 /nfs/dbraw/zinc/66/70/24/377667024.db2.gz OAZLIVYEQZYBGX-INIZCTEOSA-N 2 2 278.396 1.654 20 30 CDEDLP C#CCC[NH+]1CCN(c2cc[nH+]cc2C(=O)OCC)CC1 ZINC000280649415 377970301 /nfs/dbraw/zinc/97/03/01/377970301.db2.gz FFKJIQMQOJZXJP-UHFFFAOYSA-N 2 2 287.363 1.404 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000266916890 190290537 /nfs/dbraw/zinc/29/05/37/190290537.db2.gz KSXNFQDFRFCCAJ-UHFFFAOYSA-N 2 2 299.353 1.753 20 30 CDEDLP C[NH+]=C(NC[C@@H](c1cccs1)[NH+](C)C)NC1CC1 ZINC000262108694 391011697 /nfs/dbraw/zinc/01/16/97/391011697.db2.gz KCLPWURQNXYNNK-NSHDSACASA-N 2 2 266.414 1.678 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331934150 391268415 /nfs/dbraw/zinc/26/84/15/391268415.db2.gz HTTMZKILBFSION-GJZGRUSLSA-N 2 2 294.443 1.411 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331934150 391268418 /nfs/dbraw/zinc/26/84/18/391268418.db2.gz HTTMZKILBFSION-GJZGRUSLSA-N 2 2 294.443 1.411 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1F ZINC000404159451 391618983 /nfs/dbraw/zinc/61/89/83/391618983.db2.gz PZAKGBDIMZXESG-AWEZNQCLSA-N 2 2 277.343 1.244 20 30 CDEDLP C=CC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000661378218 414035470 /nfs/dbraw/zinc/03/54/70/414035470.db2.gz APBHHGORUBKSBX-AWEZNQCLSA-N 2 2 265.401 1.049 20 30 CDEDLP C=CC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000661378218 414035480 /nfs/dbraw/zinc/03/54/80/414035480.db2.gz APBHHGORUBKSBX-AWEZNQCLSA-N 2 2 265.401 1.049 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)nn1 ZINC000657333921 414169048 /nfs/dbraw/zinc/16/90/48/414169048.db2.gz DOUZNSXDOWJJHS-CYBMUJFWSA-N 2 2 274.372 1.477 20 30 CDEDLP Cc1[nH+]c2ccccc2n1CCCNC1=[NH+]CCN1C ZINC000285184860 263091040 /nfs/dbraw/zinc/09/10/40/263091040.db2.gz VALZZSOSKXWVHJ-UHFFFAOYSA-N 2 2 271.368 1.626 20 30 CDEDLP C=CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415090359 263272484 /nfs/dbraw/zinc/27/24/84/263272484.db2.gz AHFCOBSKFNEDLR-OAHLLOKOSA-N 2 2 262.353 1.329 20 30 CDEDLP C=CC[C@H](CO)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000341894298 263366969 /nfs/dbraw/zinc/36/69/69/263366969.db2.gz ZXGYAGUHBVXVFN-INIZCTEOSA-N 2 2 289.423 1.820 20 30 CDEDLP Cc1cc(C)c(NC(=O)NCC[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331233630 264173800 /nfs/dbraw/zinc/17/38/00/264173800.db2.gz KENDTPVFDJATMC-UHFFFAOYSA-N 2 2 292.383 1.665 20 30 CDEDLP C=CCCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nn1 ZINC000653570220 424294667 /nfs/dbraw/zinc/29/46/67/424294667.db2.gz GGVGQQPZQDZGOH-GDBMZVCRSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nn1 ZINC000653570220 424294678 /nfs/dbraw/zinc/29/46/78/424294678.db2.gz GGVGQQPZQDZGOH-GDBMZVCRSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nn1 ZINC000653570220 424294686 /nfs/dbraw/zinc/29/46/86/424294686.db2.gz GGVGQQPZQDZGOH-GDBMZVCRSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nn1 ZINC000653570220 424294693 /nfs/dbraw/zinc/29/46/93/424294693.db2.gz GGVGQQPZQDZGOH-GDBMZVCRSA-N 2 2 289.427 1.770 20 30 CDEDLP CCC#C[C@@H](C)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653689937 424431869 /nfs/dbraw/zinc/43/18/69/424431869.db2.gz YZHPRWBAFVANNK-CABCVRRESA-N 2 2 264.413 1.973 20 30 CDEDLP CCC#C[C@@H](C)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653689937 424431874 /nfs/dbraw/zinc/43/18/74/424431874.db2.gz YZHPRWBAFVANNK-CABCVRRESA-N 2 2 264.413 1.973 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccon2)cc1 ZINC000266999974 328171133 /nfs/dbraw/zinc/17/11/33/328171133.db2.gz GTYCVOYTGORDLY-UHFFFAOYSA-N 2 2 274.324 1.573 20 30 CDEDLP C=C(C)C[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000181044392 329225417 /nfs/dbraw/zinc/22/54/17/329225417.db2.gz MMQNFOJNCCHDOW-UHFFFAOYSA-N 2 2 275.400 1.236 20 30 CDEDLP C=C(C)C[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000181044392 329225418 /nfs/dbraw/zinc/22/54/18/329225418.db2.gz MMQNFOJNCCHDOW-UHFFFAOYSA-N 2 2 275.400 1.236 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)C[NH+](C)C ZINC000520797780 329789228 /nfs/dbraw/zinc/78/92/28/329789228.db2.gz JUUWCYFZECNDDJ-CHWSQXEVSA-N 2 2 250.390 1.996 20 30 CDEDLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424138888 330277849 /nfs/dbraw/zinc/27/78/49/330277849.db2.gz QPSUZPFQQPWIBF-ZDUSSCGKSA-N 2 2 299.378 1.482 20 30 CDEDLP C=CCC[C@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449702679 330945112 /nfs/dbraw/zinc/94/51/12/330945112.db2.gz ZSCAXEODWYNYBD-LLVKDONJSA-N 2 2 269.414 1.621 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C(CC)CC)CC1 ZINC000491352418 332195920 /nfs/dbraw/zinc/19/59/20/332195920.db2.gz ZJLNNMBMHYRLDH-UHFFFAOYSA-N 2 2 279.428 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C(CC)CC)CC1 ZINC000491352418 332195922 /nfs/dbraw/zinc/19/59/22/332195922.db2.gz ZJLNNMBMHYRLDH-UHFFFAOYSA-N 2 2 279.428 1.274 20 30 CDEDLP C=CCC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCCC1 ZINC000580633013 335307094 /nfs/dbraw/zinc/30/70/94/335307094.db2.gz TXLZQUSKZHLSKH-AWEZNQCLSA-N 2 2 294.443 1.407 20 30 CDEDLP C=CCC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCCC1 ZINC000580633013 335307095 /nfs/dbraw/zinc/30/70/95/335307095.db2.gz TXLZQUSKZHLSKH-AWEZNQCLSA-N 2 2 294.443 1.407 20 30 CDEDLP COCC#CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739955 482540674 /nfs/dbraw/zinc/54/06/74/482540674.db2.gz LLCKPJZWPVXRKG-UHFFFAOYSA-N 2 2 264.369 1.683 20 30 CDEDLP COCC#CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739955 482540676 /nfs/dbraw/zinc/54/06/76/482540676.db2.gz LLCKPJZWPVXRKG-UHFFFAOYSA-N 2 2 264.369 1.683 20 30 CDEDLP COCC#CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000671739955 482540678 /nfs/dbraw/zinc/54/06/78/482540678.db2.gz LLCKPJZWPVXRKG-UHFFFAOYSA-N 2 2 264.369 1.683 20 30 CDEDLP COCC#CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000671739955 482540679 /nfs/dbraw/zinc/54/06/79/482540679.db2.gz LLCKPJZWPVXRKG-UHFFFAOYSA-N 2 2 264.369 1.683 20 30 CDEDLP C=CCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000671744024 482540993 /nfs/dbraw/zinc/54/09/93/482540993.db2.gz SCUQZAZONSXQHU-CQSZACIVSA-N 2 2 291.395 1.651 20 30 CDEDLP CC1CC[NH+](CCNC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329860827 538714966 /nfs/dbraw/zinc/71/49/66/538714966.db2.gz XPVWGTZFYPOHAQ-UHFFFAOYSA-N 2 2 291.399 1.345 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000730097573 574849374 /nfs/dbraw/zinc/84/93/74/574849374.db2.gz ASYSOFPUPYMALC-PMPSAXMXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000730097573 574849375 /nfs/dbraw/zinc/84/93/75/574849375.db2.gz ASYSOFPUPYMALC-PMPSAXMXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000730097573 574849376 /nfs/dbraw/zinc/84/93/76/574849376.db2.gz ASYSOFPUPYMALC-PMPSAXMXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000730097573 574849377 /nfs/dbraw/zinc/84/93/77/574849377.db2.gz ASYSOFPUPYMALC-PMPSAXMXSA-N 2 2 291.439 1.321 20 30 CDEDLP CC(=[NH+]n1cnnc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735608653 575491799 /nfs/dbraw/zinc/49/17/99/575491799.db2.gz DXMLGCDLXAOWIH-OAHLLOKOSA-N 2 2 285.351 1.403 20 30 CDEDLP CC(=[NH+]n1cnnc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735608653 575491801 /nfs/dbraw/zinc/49/18/01/575491801.db2.gz DXMLGCDLXAOWIH-OAHLLOKOSA-N 2 2 285.351 1.403 20 30 CDEDLP C#CCCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000766894249 576142959 /nfs/dbraw/zinc/14/29/59/576142959.db2.gz BVQMCIMICBYVTN-UHFFFAOYSA-N 2 2 259.353 1.626 20 30 CDEDLP C[C@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[N@@H+]1C1CC1 ZINC000761854213 576598098 /nfs/dbraw/zinc/59/80/98/576598098.db2.gz BSJACXCQJKOZDW-NSHDSACASA-N 2 2 297.366 1.687 20 30 CDEDLP C[C@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[N@H+]1C1CC1 ZINC000761854213 576598099 /nfs/dbraw/zinc/59/80/99/576598099.db2.gz BSJACXCQJKOZDW-NSHDSACASA-N 2 2 297.366 1.687 20 30 CDEDLP C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC[N@@H+]1C ZINC000753930810 576866630 /nfs/dbraw/zinc/86/66/30/576866630.db2.gz XAJCWYLBDVTGRO-RAIGVLPGSA-N 2 2 263.389 1.317 20 30 CDEDLP C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC[N@H+]1C ZINC000753930810 576866632 /nfs/dbraw/zinc/86/66/32/576866632.db2.gz XAJCWYLBDVTGRO-RAIGVLPGSA-N 2 2 263.389 1.317 20 30 CDEDLP CCOCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000747838912 576886739 /nfs/dbraw/zinc/88/67/39/576886739.db2.gz RFLMOOGUPUPEJO-UHFFFAOYSA-N 2 2 279.384 1.812 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CCC)CC1 ZINC000755245565 576937390 /nfs/dbraw/zinc/93/73/90/576937390.db2.gz ONHJLYMDIZDBSF-INIZCTEOSA-N 2 2 291.439 1.418 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CCC)CC1 ZINC000755245565 576937392 /nfs/dbraw/zinc/93/73/92/576937392.db2.gz ONHJLYMDIZDBSF-INIZCTEOSA-N 2 2 291.439 1.418 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947757577 613266304 /nfs/dbraw/zinc/26/63/04/613266304.db2.gz CAKBEGBNGTWBJV-ZIAGYGMSSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947757577 613266307 /nfs/dbraw/zinc/26/63/07/613266307.db2.gz CAKBEGBNGTWBJV-ZIAGYGMSSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969138424 613348869 /nfs/dbraw/zinc/34/88/69/613348869.db2.gz UKJPAXZLHAMXBD-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812094 613499579 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290.411 1.458 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102451317 937057917 /nfs/dbraw/zinc/05/79/17/937057917.db2.gz VBAPPXCAOLUKGC-BFHYXJOUSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102451317 937057919 /nfs/dbraw/zinc/05/79/19/937057919.db2.gz VBAPPXCAOLUKGC-BFHYXJOUSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102451317 937057921 /nfs/dbraw/zinc/05/79/21/937057921.db2.gz VBAPPXCAOLUKGC-BFHYXJOUSA-N 2 2 290.411 1.458 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001086086262 926684662 /nfs/dbraw/zinc/68/46/62/926684662.db2.gz HKSSCEGEUMQEMY-OTVXOJSOSA-N 2 2 296.374 1.374 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086147710 926749196 /nfs/dbraw/zinc/74/91/96/926749196.db2.gz XGALBQLYGPNPTL-BETUJISGSA-N 2 2 284.363 1.618 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086407338 927085974 /nfs/dbraw/zinc/08/59/74/927085974.db2.gz ZRLXTVMYLSCYHX-MGPQQGTHSA-N 2 2 288.395 1.116 20 30 CDEDLP N#Cc1cccc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001169199906 927807523 /nfs/dbraw/zinc/80/75/23/927807523.db2.gz QTIXNBJNRAQVDF-UHFFFAOYSA-N 2 2 297.362 1.120 20 30 CDEDLP C#CCCC[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001275975706 932189632 /nfs/dbraw/zinc/18/96/32/932189632.db2.gz LIVLSVIODSTOCL-KRWDZBQOSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CCCC[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001275975706 932189634 /nfs/dbraw/zinc/18/96/34/932189634.db2.gz LIVLSVIODSTOCL-KRWDZBQOSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CCCC[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275975706 932189636 /nfs/dbraw/zinc/18/96/36/932189636.db2.gz LIVLSVIODSTOCL-KRWDZBQOSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CCCC[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275975706 932189637 /nfs/dbraw/zinc/18/96/37/932189637.db2.gz LIVLSVIODSTOCL-KRWDZBQOSA-N 2 2 291.439 1.276 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707032 932286195 /nfs/dbraw/zinc/28/61/95/932286195.db2.gz MLERNTQFSSIHFG-ZIAGYGMSSA-N 2 2 278.400 1.722 20 30 CDEDLP N#CC1(c2ccccc2)CC([NH2+]C[C@H]([NH3+])C2CC2)C1 ZINC001118059958 937586625 /nfs/dbraw/zinc/58/66/25/937586625.db2.gz SXPVVWZUTXNBNU-PCKAHOCUSA-N 2 2 255.365 1.937 20 30 CDEDLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001149123533 932406688 /nfs/dbraw/zinc/40/66/88/932406688.db2.gz KYJRVYMYJSFFKY-UHFFFAOYSA-N 2 2 297.362 1.038 20 30 CDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096656396 936203115 /nfs/dbraw/zinc/20/31/15/936203115.db2.gz KYIWVEDRCHVUSO-RDBSUJKOSA-N 2 2 274.368 1.181 20 30 CDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096656396 936203119 /nfs/dbraw/zinc/20/31/19/936203119.db2.gz KYIWVEDRCHVUSO-RDBSUJKOSA-N 2 2 274.368 1.181 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001121989568 937896991 /nfs/dbraw/zinc/89/69/91/937896991.db2.gz STRDWUNYBGWCIB-INIZCTEOSA-N 2 2 287.407 1.802 20 30 CDEDLP Cc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(C#N)c1 ZINC001158258693 938600949 /nfs/dbraw/zinc/60/09/49/938600949.db2.gz GVQORLHYAOHUCK-AWEZNQCLSA-N 2 2 285.395 1.264 20 30 CDEDLP Cc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(C#N)c1 ZINC001158258693 938600951 /nfs/dbraw/zinc/60/09/51/938600951.db2.gz GVQORLHYAOHUCK-AWEZNQCLSA-N 2 2 285.395 1.264 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163043876 939183602 /nfs/dbraw/zinc/18/36/02/939183602.db2.gz AMRMTURWJRKIAB-AWEZNQCLSA-N 2 2 292.427 1.803 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001163274951 939237895 /nfs/dbraw/zinc/23/78/95/939237895.db2.gz LJRPRTMXYDKIQV-HNNXBMFYSA-N 2 2 297.443 1.159 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001163274951 939237896 /nfs/dbraw/zinc/23/78/96/939237896.db2.gz LJRPRTMXYDKIQV-HNNXBMFYSA-N 2 2 297.443 1.159 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226679210 942047070 /nfs/dbraw/zinc/04/70/70/942047070.db2.gz GENUGGWZQGHMBB-HUUCEWRRSA-N 2 2 290.411 1.935 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226679210 942047074 /nfs/dbraw/zinc/04/70/74/942047074.db2.gz GENUGGWZQGHMBB-HUUCEWRRSA-N 2 2 290.411 1.935 20 30 CDEDLP Cn1c[nH+]cc1C1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001263330374 943833532 /nfs/dbraw/zinc/83/35/32/943833532.db2.gz JHFMYXSWLBFALD-CYBMUJFWSA-N 2 2 289.383 1.147 20 30 CDEDLP C=CCCCCCC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246063065 947921278 /nfs/dbraw/zinc/92/12/78/947921278.db2.gz HHRHXJLKNUNLIW-CABCVRRESA-N 2 2 282.428 1.533 20 30 CDEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246063065 947921285 /nfs/dbraw/zinc/92/12/85/947921285.db2.gz HHRHXJLKNUNLIW-CABCVRRESA-N 2 2 282.428 1.533 20 30 CDEDLP N#Cc1ccc(C2CCC([NH2+][C@@H]3COC[C@H]3[NH3+])CC2)cc1 ZINC001257011131 948480805 /nfs/dbraw/zinc/48/08/05/948480805.db2.gz VMEOYAIJUSKEFW-BHUNQDJPSA-N 2 2 285.391 1.900 20 30 CDEDLP N#CC1CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252950721 951710772 /nfs/dbraw/zinc/71/07/72/951710772.db2.gz MESILPGLRCSZRY-OFLPRAFFSA-N 2 2 285.391 1.515 20 30 CDEDLP N#CC1CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252950721 951710775 /nfs/dbraw/zinc/71/07/75/951710775.db2.gz MESILPGLRCSZRY-OFLPRAFFSA-N 2 2 285.391 1.515 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001253392722 951878020 /nfs/dbraw/zinc/87/80/20/951878020.db2.gz KTUYYARRVWRAJN-QWHCGFSZSA-N 2 2 253.390 1.361 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](C#N)CC1 ZINC001253392722 951878027 /nfs/dbraw/zinc/87/80/27/951878027.db2.gz KTUYYARRVWRAJN-QWHCGFSZSA-N 2 2 253.390 1.361 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001421864215 955610238 /nfs/dbraw/zinc/61/02/38/955610238.db2.gz KIAYYMXQCZXRCT-UHFFFAOYSA-N 2 2 298.818 1.806 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001421864215 955610245 /nfs/dbraw/zinc/61/02/45/955610245.db2.gz KIAYYMXQCZXRCT-UHFFFAOYSA-N 2 2 298.818 1.806 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365983751 956488097 /nfs/dbraw/zinc/48/80/97/956488097.db2.gz LUUZCYNUDNVLAL-GFCCVEGCSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365983751 956488106 /nfs/dbraw/zinc/48/81/06/956488106.db2.gz LUUZCYNUDNVLAL-GFCCVEGCSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001367404931 957995304 /nfs/dbraw/zinc/99/53/04/957995304.db2.gz HEXBARUDPMVNAS-CYBMUJFWSA-N 2 2 298.818 1.852 20 30 CDEDLP N#CCCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001333419844 958325364 /nfs/dbraw/zinc/32/53/64/958325364.db2.gz CGZIRYZRWODZTD-UHFFFAOYSA-N 2 2 294.443 1.066 20 30 CDEDLP N#CCCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC001333419844 958325372 /nfs/dbraw/zinc/32/53/72/958325372.db2.gz CGZIRYZRWODZTD-UHFFFAOYSA-N 2 2 294.443 1.066 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001419882229 962196238 /nfs/dbraw/zinc/19/62/38/962196238.db2.gz XPGMOSOZJCUUEL-CYBMUJFWSA-N 2 2 298.818 1.825 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@H]2CCOC2)cc1 ZINC001348574525 966070157 /nfs/dbraw/zinc/07/01/57/966070157.db2.gz RPEWQVOEBVSURW-CQSZACIVSA-N 2 2 291.395 1.812 20 30 CDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100293345 967923312 /nfs/dbraw/zinc/92/33/12/967923312.db2.gz OZWIKLOYBVKKMU-UHFFFAOYSA-N 2 2 290.411 1.793 20 30 CDEDLP CC#CC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100446104 968377895 /nfs/dbraw/zinc/37/78/95/968377895.db2.gz PJTUPSJYMGYZQS-UHFFFAOYSA-N 2 2 296.374 1.684 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001378813705 975500686 /nfs/dbraw/zinc/50/06/86/975500686.db2.gz AIPPOSCUWWVCCI-JTQLQIEISA-N 2 2 270.764 1.141 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133134374 1163579636 /nfs/dbraw/zinc/57/96/36/1163579636.db2.gz DGGWLVDAZHDTTN-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP COc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000234797620 342047087 /nfs/dbraw/zinc/04/70/87/342047087.db2.gz ACGJOMBLCLZCAE-UHFFFAOYSA-N 2 2 261.369 1.950 20 30 CDEDLP COc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000234797620 342047088 /nfs/dbraw/zinc/04/70/88/342047088.db2.gz ACGJOMBLCLZCAE-UHFFFAOYSA-N 2 2 261.369 1.950 20 30 CDEDLP Cc1[nH+]c2c(n1C[C@H](O)C[N@H+](C)CCC#N)CCCC2 ZINC000594715086 342946775 /nfs/dbraw/zinc/94/67/75/342946775.db2.gz YFNMZMVORLVKLZ-CYBMUJFWSA-N 2 2 276.384 1.277 20 30 CDEDLP Cc1[nH+]c2c(n1C[C@H](O)C[N@@H+](C)CCC#N)CCCC2 ZINC000594715086 342946776 /nfs/dbraw/zinc/94/67/76/342946776.db2.gz YFNMZMVORLVKLZ-CYBMUJFWSA-N 2 2 276.384 1.277 20 30 CDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000619720295 349870794 /nfs/dbraw/zinc/87/07/94/349870794.db2.gz WPKPDYHJJJPAKP-AWEZNQCLSA-N 2 2 268.401 1.768 20 30 CDEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000602658557 344519753 /nfs/dbraw/zinc/51/97/53/344519753.db2.gz LDFLKVMHZSZWLF-JKSUJKDBSA-N 2 2 279.428 1.970 20 30 CDEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000602658557 344519754 /nfs/dbraw/zinc/51/97/54/344519754.db2.gz LDFLKVMHZSZWLF-JKSUJKDBSA-N 2 2 279.428 1.970 20 30 CDEDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602722828 344564718 /nfs/dbraw/zinc/56/47/18/344564718.db2.gz IAKYLKNMCSUDIG-CYBMUJFWSA-N 2 2 258.369 1.775 20 30 CDEDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602722828 344564720 /nfs/dbraw/zinc/56/47/20/344564720.db2.gz IAKYLKNMCSUDIG-CYBMUJFWSA-N 2 2 258.369 1.775 20 30 CDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CC#N)C1 ZINC000397573966 345225756 /nfs/dbraw/zinc/22/57/56/345225756.db2.gz FRLCGZHULAJVQY-KGLIPLIRSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CC#N)C1 ZINC000397573966 345225757 /nfs/dbraw/zinc/22/57/57/345225757.db2.gz FRLCGZHULAJVQY-KGLIPLIRSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397573966 345225758 /nfs/dbraw/zinc/22/57/58/345225758.db2.gz FRLCGZHULAJVQY-KGLIPLIRSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397573966 345225759 /nfs/dbraw/zinc/22/57/59/345225759.db2.gz FRLCGZHULAJVQY-KGLIPLIRSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[C@H](C#N)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000611432182 346782222 /nfs/dbraw/zinc/78/22/22/346782222.db2.gz RVMGMHPLCCMXAH-AWEZNQCLSA-N 2 2 261.373 1.049 20 30 CDEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(C#N)n3)C2)C1 ZINC000602671777 350141034 /nfs/dbraw/zinc/14/10/34/350141034.db2.gz IIWDSJKRLAMCAR-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(C#N)n3)C2)C1 ZINC000602671777 350141036 /nfs/dbraw/zinc/14/10/36/350141036.db2.gz IIWDSJKRLAMCAR-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(C#N)n3)C2)C1 ZINC000602671777 350141038 /nfs/dbraw/zinc/14/10/38/350141038.db2.gz IIWDSJKRLAMCAR-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(C#N)n3)C2)C1 ZINC000602671777 350141041 /nfs/dbraw/zinc/14/10/41/350141041.db2.gz IIWDSJKRLAMCAR-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP CCNC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264126808 362974570 /nfs/dbraw/zinc/97/45/70/362974570.db2.gz SJJMWYIEQONXDN-GFCCVEGCSA-N 2 2 252.337 1.353 20 30 CDEDLP Cn1c[nH+]cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292242856 198215941 /nfs/dbraw/zinc/21/59/41/198215941.db2.gz QIPUHCILIVPCDV-AWEZNQCLSA-N 2 2 283.335 1.340 20 30 CDEDLP Cn1c[nH+]cc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292242856 198215943 /nfs/dbraw/zinc/21/59/43/198215943.db2.gz QIPUHCILIVPCDV-AWEZNQCLSA-N 2 2 283.335 1.340 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000271711431 191286697 /nfs/dbraw/zinc/28/66/97/191286697.db2.gz PMQOFKPDMDOYDD-OAHLLOKOSA-N 2 2 290.411 1.794 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271711431 191286700 /nfs/dbraw/zinc/28/67/00/191286700.db2.gz PMQOFKPDMDOYDD-OAHLLOKOSA-N 2 2 290.411 1.794 20 30 CDEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000344275436 356980032 /nfs/dbraw/zinc/98/00/32/356980032.db2.gz OLPKCVFOAJIFBV-CYBMUJFWSA-N 2 2 277.368 1.334 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccncc3C#N)C2)CC1 ZINC000592069498 358584809 /nfs/dbraw/zinc/58/48/09/358584809.db2.gz RTTDUNSXIWOHNM-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccncc3C#N)C2)CC1 ZINC000592069498 358584815 /nfs/dbraw/zinc/58/48/15/358584815.db2.gz RTTDUNSXIWOHNM-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)CC2 ZINC000570036853 359274230 /nfs/dbraw/zinc/27/42/30/359274230.db2.gz WJNKYASUKPTULF-HIFRSBDPSA-N 2 2 257.337 1.124 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337278127 360060501 /nfs/dbraw/zinc/06/05/01/360060501.db2.gz SIDKBGNIXREZCB-OAHLLOKOSA-N 2 2 294.443 1.412 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278127 360060504 /nfs/dbraw/zinc/06/05/04/360060504.db2.gz SIDKBGNIXREZCB-OAHLLOKOSA-N 2 2 294.443 1.412 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429538340 360849224 /nfs/dbraw/zinc/84/92/24/360849224.db2.gz OXBPMNJBLCDSGQ-KBPBESRZSA-N 2 2 292.427 1.353 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429538340 360849229 /nfs/dbraw/zinc/84/92/29/360849229.db2.gz OXBPMNJBLCDSGQ-KBPBESRZSA-N 2 2 292.427 1.353 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000353573034 365306580 /nfs/dbraw/zinc/30/65/80/365306580.db2.gz GXHZGBCYOHKGQC-BMFZPTHFSA-N 2 2 260.381 1.958 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353573034 365306590 /nfs/dbraw/zinc/30/65/90/365306590.db2.gz GXHZGBCYOHKGQC-BMFZPTHFSA-N 2 2 260.381 1.958 20 30 CDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000305118846 367049576 /nfs/dbraw/zinc/04/95/76/367049576.db2.gz LSQLIZZBRKNJGA-ZFWWWQNUSA-N 2 2 262.353 1.862 20 30 CDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000305118846 367049585 /nfs/dbraw/zinc/04/95/85/367049585.db2.gz LSQLIZZBRKNJGA-ZFWWWQNUSA-N 2 2 262.353 1.862 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190977577 377950086 /nfs/dbraw/zinc/95/00/86/377950086.db2.gz VIZZVNVKSVEAJD-UHFFFAOYSA-N 2 2 258.369 1.637 20 30 CDEDLP CC(C)(C#N)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119651436 390548465 /nfs/dbraw/zinc/54/84/65/390548465.db2.gz KRZURKVUPPOFAC-OAHLLOKOSA-N 2 2 279.428 1.970 20 30 CDEDLP CC(C)(C#N)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119651436 390548469 /nfs/dbraw/zinc/54/84/69/390548469.db2.gz KRZURKVUPPOFAC-OAHLLOKOSA-N 2 2 279.428 1.970 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156439982 390922196 /nfs/dbraw/zinc/92/21/96/390922196.db2.gz XVVBDJBXUKIFDG-OLZOCXBDSA-N 2 2 262.357 1.068 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156439982 390922197 /nfs/dbraw/zinc/92/21/97/390922197.db2.gz XVVBDJBXUKIFDG-OLZOCXBDSA-N 2 2 262.357 1.068 20 30 CDEDLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000330397103 391414822 /nfs/dbraw/zinc/41/48/22/391414822.db2.gz BQGAAWWQPXNLFI-LBPRGKRZSA-N 2 2 279.388 1.156 20 30 CDEDLP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000330397103 391414825 /nfs/dbraw/zinc/41/48/25/391414825.db2.gz BQGAAWWQPXNLFI-LBPRGKRZSA-N 2 2 279.388 1.156 20 30 CDEDLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC(=O)NC1CC1 ZINC000329921023 391799644 /nfs/dbraw/zinc/79/96/44/391799644.db2.gz FJIGSHNTHURBBZ-SNVBAGLBSA-N 2 2 291.355 1.622 20 30 CDEDLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC(=O)NC1CC1 ZINC000329921023 391799647 /nfs/dbraw/zinc/79/96/47/391799647.db2.gz FJIGSHNTHURBBZ-SNVBAGLBSA-N 2 2 291.355 1.622 20 30 CDEDLP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@@H](C)N1)c1ccco1 ZINC000262673045 391810340 /nfs/dbraw/zinc/81/03/40/391810340.db2.gz RXRWAIGPQMJVJD-NEPJUHHUSA-N 2 2 264.373 1.600 20 30 CDEDLP N#C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000555462136 392259741 /nfs/dbraw/zinc/25/97/41/392259741.db2.gz ICJQMVUTGCJHGZ-HRCADAONSA-N 2 2 277.412 1.723 20 30 CDEDLP N#C[C@H]1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000555462136 392259743 /nfs/dbraw/zinc/25/97/43/392259743.db2.gz ICJQMVUTGCJHGZ-HRCADAONSA-N 2 2 277.412 1.723 20 30 CDEDLP C[C@H](C[NH3+])C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423306847 392960567 /nfs/dbraw/zinc/96/05/67/392960567.db2.gz MDELLVCCEYZCDU-CQSZACIVSA-N 3 2 286.423 1.707 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)/C=C/c1[nH+]ccn1CC ZINC000490936759 261257823 /nfs/dbraw/zinc/25/78/23/261257823.db2.gz RPBGZIYSSCPRFR-HSBSLETESA-N 2 2 287.363 1.557 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)/C=C/c1[nH+]ccn1CC ZINC000490936759 261257826 /nfs/dbraw/zinc/25/78/26/261257826.db2.gz RPBGZIYSSCPRFR-HSBSLETESA-N 2 2 287.363 1.557 20 30 CDEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000491039061 261305316 /nfs/dbraw/zinc/30/53/16/261305316.db2.gz MLBXUZIOZGZFSI-ZIAGYGMSSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000491039061 261305317 /nfs/dbraw/zinc/30/53/17/261305317.db2.gz MLBXUZIOZGZFSI-ZIAGYGMSSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000491039061 261305319 /nfs/dbraw/zinc/30/53/19/261305319.db2.gz MLBXUZIOZGZFSI-ZIAGYGMSSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000491039061 261305320 /nfs/dbraw/zinc/30/53/20/261305320.db2.gz MLBXUZIOZGZFSI-ZIAGYGMSSA-N 2 2 296.436 1.065 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000365368965 262362443 /nfs/dbraw/zinc/36/24/43/262362443.db2.gz UIAOVEANNRDRTF-INIZCTEOSA-N 2 2 293.455 1.733 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000365368965 262362444 /nfs/dbraw/zinc/36/24/44/262362444.db2.gz UIAOVEANNRDRTF-INIZCTEOSA-N 2 2 293.455 1.733 20 30 CDEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCOC)c1ccsc1 ZINC000264132008 262877908 /nfs/dbraw/zinc/87/79/08/262877908.db2.gz YGAGQZYWUYBIOC-ZDUSSCGKSA-N 2 2 298.456 1.682 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000340506851 263178840 /nfs/dbraw/zinc/17/88/40/263178840.db2.gz UMGJGFLGBRJUBT-FHLIZLRMSA-N 2 2 299.418 1.687 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000340506851 263178841 /nfs/dbraw/zinc/17/88/41/263178841.db2.gz UMGJGFLGBRJUBT-FHLIZLRMSA-N 2 2 299.418 1.687 20 30 CDEDLP C=CCOc1ccc(C[N@H+](C)CC[NH3+])cc1OC ZINC000415117623 263274750 /nfs/dbraw/zinc/27/47/50/263274750.db2.gz ZUTRAMSKKFCUCL-UHFFFAOYSA-N 2 2 250.342 1.651 20 30 CDEDLP C=CCOc1ccc(C[N@@H+](C)CC[NH3+])cc1OC ZINC000415117623 263274751 /nfs/dbraw/zinc/27/47/51/263274751.db2.gz ZUTRAMSKKFCUCL-UHFFFAOYSA-N 2 2 250.342 1.651 20 30 CDEDLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423521545 277116261 /nfs/dbraw/zinc/11/62/61/277116261.db2.gz QXOVUGCXFUWFOS-GDBMZVCRSA-N 2 2 270.380 1.039 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267401346 328178324 /nfs/dbraw/zinc/17/83/24/328178324.db2.gz GBIZKOYXATVHFX-CYBMUJFWSA-N 2 2 289.383 1.351 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267401346 328178326 /nfs/dbraw/zinc/17/83/26/328178326.db2.gz GBIZKOYXATVHFX-CYBMUJFWSA-N 2 2 289.383 1.351 20 30 CDEDLP CC1CCN(C(=[NH2+])NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171413351 329075609 /nfs/dbraw/zinc/07/56/09/329075609.db2.gz PUHGJORPHTYHSG-UHFFFAOYSA-N 2 2 282.432 1.144 20 30 CDEDLP CC1CCN(C(=[NH2+])NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171413351 329075611 /nfs/dbraw/zinc/07/56/11/329075611.db2.gz PUHGJORPHTYHSG-UHFFFAOYSA-N 2 2 282.432 1.144 20 30 CDEDLP CC[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)NC1CCCC1 ZINC000171613474 329078021 /nfs/dbraw/zinc/07/80/21/329078021.db2.gz KBOIAXMMDLPBEA-UHFFFAOYSA-N 2 2 296.459 1.595 20 30 CDEDLP CC[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)NC1CCCC1 ZINC000171613474 329078022 /nfs/dbraw/zinc/07/80/22/329078022.db2.gz KBOIAXMMDLPBEA-UHFFFAOYSA-N 2 2 296.459 1.595 20 30 CDEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000429682900 330059376 /nfs/dbraw/zinc/05/93/76/330059376.db2.gz HNZXYHZEBKKBSO-KFWWJZLASA-N 2 2 263.385 1.333 20 30 CDEDLP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000429682900 330059378 /nfs/dbraw/zinc/05/93/78/330059378.db2.gz HNZXYHZEBKKBSO-KFWWJZLASA-N 2 2 263.385 1.333 20 30 CDEDLP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)C[NH+]1CCOCC1 ZINC000442796875 330784404 /nfs/dbraw/zinc/78/44/04/330784404.db2.gz WHOSMGWMUKFERO-MCIONIFRSA-N 2 2 251.374 1.237 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000490780365 332115335 /nfs/dbraw/zinc/11/53/35/332115335.db2.gz KONDJMXVIYJNPH-JKSUJKDBSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000490780365 332115336 /nfs/dbraw/zinc/11/53/36/332115336.db2.gz KONDJMXVIYJNPH-JKSUJKDBSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C2CCCC2)CC1 ZINC000491393675 332203473 /nfs/dbraw/zinc/20/34/73/332203473.db2.gz JIXGCFXKGGZWNW-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C2CCCC2)CC1 ZINC000491393675 332203474 /nfs/dbraw/zinc/20/34/74/332203474.db2.gz JIXGCFXKGGZWNW-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#C[C@H](C)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491692765 332289444 /nfs/dbraw/zinc/28/94/44/332289444.db2.gz JHEHCLLHSHSDOU-HNNXBMFYSA-N 2 2 272.392 1.972 20 30 CDEDLP C#C[C@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491692765 332289445 /nfs/dbraw/zinc/28/94/45/332289445.db2.gz JHEHCLLHSHSDOU-HNNXBMFYSA-N 2 2 272.392 1.972 20 30 CDEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000491771372 332337830 /nfs/dbraw/zinc/33/78/30/332337830.db2.gz QHXXCZWOYSUGBO-HNNXBMFYSA-N 2 2 250.386 1.319 20 30 CDEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000491771372 332337831 /nfs/dbraw/zinc/33/78/31/332337831.db2.gz QHXXCZWOYSUGBO-HNNXBMFYSA-N 2 2 250.386 1.319 20 30 CDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000491771372 332337833 /nfs/dbraw/zinc/33/78/33/332337833.db2.gz QHXXCZWOYSUGBO-HNNXBMFYSA-N 2 2 250.386 1.319 20 30 CDEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000491771372 332337834 /nfs/dbraw/zinc/33/78/34/332337834.db2.gz QHXXCZWOYSUGBO-HNNXBMFYSA-N 2 2 250.386 1.319 20 30 CDEDLP CCn1cc[nH+]c1/C=C\C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000492538543 332402164 /nfs/dbraw/zinc/40/21/64/332402164.db2.gz SPAWFMMJIBIELP-PLNGDYQASA-N 2 2 287.367 1.020 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000730105415 574850521 /nfs/dbraw/zinc/85/05/21/574850521.db2.gz IELQLFOAPJBUQI-PMPSAXMXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000730105415 574850523 /nfs/dbraw/zinc/85/05/23/574850523.db2.gz IELQLFOAPJBUQI-PMPSAXMXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000730105415 574850525 /nfs/dbraw/zinc/85/05/25/574850525.db2.gz IELQLFOAPJBUQI-PMPSAXMXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000730105415 574850527 /nfs/dbraw/zinc/85/05/27/574850527.db2.gz IELQLFOAPJBUQI-PMPSAXMXSA-N 2 2 291.439 1.321 20 30 CDEDLP c1cn(-c2ccc(N=NC3CC[N@@H+]4CCC[C@H]34)nn2)c[nH+]1 ZINC000761856224 576598178 /nfs/dbraw/zinc/59/81/78/576598178.db2.gz ZIRQZNOMCGHODD-GFCCVEGCSA-N 2 2 283.339 1.298 20 30 CDEDLP c1cn(-c2ccc(N=NC3CC[N@H+]4CCC[C@H]34)nn2)c[nH+]1 ZINC000761856224 576598180 /nfs/dbraw/zinc/59/81/80/576598180.db2.gz ZIRQZNOMCGHODD-GFCCVEGCSA-N 2 2 283.339 1.298 20 30 CDEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971788981 613094271 /nfs/dbraw/zinc/09/42/71/613094271.db2.gz UBCAJIYUFOIRIW-ZDUSSCGKSA-N 2 2 282.347 1.342 20 30 CDEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971788981 613094272 /nfs/dbraw/zinc/09/42/72/613094272.db2.gz UBCAJIYUFOIRIW-ZDUSSCGKSA-N 2 2 282.347 1.342 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977645903 613341653 /nfs/dbraw/zinc/34/16/53/613341653.db2.gz LJPPBFJZZPNFPF-ZDUSSCGKSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977645903 613341654 /nfs/dbraw/zinc/34/16/54/613341654.db2.gz LJPPBFJZZPNFPF-ZDUSSCGKSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000970580506 613384898 /nfs/dbraw/zinc/38/48/98/613384898.db2.gz SNUGDBGHNGJQSV-LLVKDONJSA-N 2 2 282.775 1.204 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968543600 613515248 /nfs/dbraw/zinc/51/52/48/613515248.db2.gz DGHICTBIAGKXGU-HIFRSBDPSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968543600 613515252 /nfs/dbraw/zinc/51/52/52/613515252.db2.gz DGHICTBIAGKXGU-HIFRSBDPSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000957132714 613655572 /nfs/dbraw/zinc/65/55/72/613655572.db2.gz XMRNKNKTALNIRR-LSDHHAIUSA-N 2 2 293.455 1.826 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000895884611 619883977 /nfs/dbraw/zinc/88/39/77/619883977.db2.gz LHVAHWCATNOFSF-AWEZNQCLSA-N 2 2 277.412 1.027 20 30 CDEDLP COCC[N@H+](C)CCNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912506565 630047913 /nfs/dbraw/zinc/04/79/13/630047913.db2.gz QGSYYTBBOWKNNG-UHFFFAOYSA-N 2 2 270.421 1.061 20 30 CDEDLP COCC[N@@H+](C)CCNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912506565 630047915 /nfs/dbraw/zinc/04/79/15/630047915.db2.gz QGSYYTBBOWKNNG-UHFFFAOYSA-N 2 2 270.421 1.061 20 30 CDEDLP COCC[N@H+](C)CCNC(NC(C)(C)C)=[NH+]CC(C)C ZINC000912507805 630048943 /nfs/dbraw/zinc/04/89/43/630048943.db2.gz FGGTYSJPHCBKBE-UHFFFAOYSA-N 2 2 286.464 1.554 20 30 CDEDLP COCC[N@@H+](C)CCNC(NC(C)(C)C)=[NH+]CC(C)C ZINC000912507805 630048946 /nfs/dbraw/zinc/04/89/46/630048946.db2.gz FGGTYSJPHCBKBE-UHFFFAOYSA-N 2 2 286.464 1.554 20 30 CDEDLP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855835 694038284 /nfs/dbraw/zinc/03/82/84/694038284.db2.gz QCBIRDAKKVWZTG-INIZCTEOSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855835 694038286 /nfs/dbraw/zinc/03/82/86/694038286.db2.gz QCBIRDAKKVWZTG-INIZCTEOSA-N 2 2 288.395 1.384 20 30 CDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015689749 694118100 /nfs/dbraw/zinc/11/81/00/694118100.db2.gz IOVGKPRFXMASQQ-STQMWFEESA-N 2 2 286.379 1.043 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015689749 694118103 /nfs/dbraw/zinc/11/81/03/694118103.db2.gz IOVGKPRFXMASQQ-STQMWFEESA-N 2 2 286.379 1.043 20 30 CDEDLP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001043141022 688351001 /nfs/dbraw/zinc/35/10/01/688351001.db2.gz VNISKCXYBAQHIN-ZDUSSCGKSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028642162 688372180 /nfs/dbraw/zinc/37/21/80/688372180.db2.gz PQOSMZUXFQVYHH-KGLIPLIRSA-N 2 2 288.395 1.070 20 30 CDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028642162 688372189 /nfs/dbraw/zinc/37/21/89/688372189.db2.gz PQOSMZUXFQVYHH-KGLIPLIRSA-N 2 2 288.395 1.070 20 30 CDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3[nH+]ccn3c1)C2 ZINC000884220956 688392078 /nfs/dbraw/zinc/39/20/78/688392078.db2.gz GPGWGQNXPLGBBC-BGMSHATGSA-N 2 2 295.346 1.412 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007643249 688567293 /nfs/dbraw/zinc/56/72/93/688567293.db2.gz ZFGVWXZHZCXRDF-AWEZNQCLSA-N 2 2 296.374 1.780 20 30 CDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007643249 688567309 /nfs/dbraw/zinc/56/73/09/688567309.db2.gz ZFGVWXZHZCXRDF-AWEZNQCLSA-N 2 2 296.374 1.780 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001038237564 688619576 /nfs/dbraw/zinc/61/95/76/688619576.db2.gz CXDPRHBAXHPAMJ-HUUCEWRRSA-N 2 2 277.412 1.073 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001038237564 688619586 /nfs/dbraw/zinc/61/95/86/688619586.db2.gz CXDPRHBAXHPAMJ-HUUCEWRRSA-N 2 2 277.412 1.073 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001038237564 688619600 /nfs/dbraw/zinc/61/96/00/688619600.db2.gz CXDPRHBAXHPAMJ-HUUCEWRRSA-N 2 2 277.412 1.073 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001038237564 688619607 /nfs/dbraw/zinc/61/96/07/688619607.db2.gz CXDPRHBAXHPAMJ-HUUCEWRRSA-N 2 2 277.412 1.073 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015027825 688683885 /nfs/dbraw/zinc/68/38/85/688683885.db2.gz LRVMNLGLSLLRMD-GFCCVEGCSA-N 2 2 292.383 1.116 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015027825 688683897 /nfs/dbraw/zinc/68/38/97/688683897.db2.gz LRVMNLGLSLLRMD-GFCCVEGCSA-N 2 2 292.383 1.116 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027981110 688777988 /nfs/dbraw/zinc/77/79/88/688777988.db2.gz JMVFEYHCYPZQGA-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027981110 688778001 /nfs/dbraw/zinc/77/80/01/688778001.db2.gz JMVFEYHCYPZQGA-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001030306404 688779194 /nfs/dbraw/zinc/77/91/94/688779194.db2.gz QOKQNGWURSZDBL-ZFWWWQNUSA-N 2 2 277.412 1.237 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001030306404 688779204 /nfs/dbraw/zinc/77/92/04/688779204.db2.gz QOKQNGWURSZDBL-ZFWWWQNUSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001015002254 688865710 /nfs/dbraw/zinc/86/57/10/688865710.db2.gz ZORYUDYJOHDTDT-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001015002254 688865714 /nfs/dbraw/zinc/86/57/14/688865714.db2.gz ZORYUDYJOHDTDT-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001015002212 688868020 /nfs/dbraw/zinc/86/80/20/688868020.db2.gz YYCUDPOJYHBGDF-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001015002212 688868021 /nfs/dbraw/zinc/86/80/21/688868021.db2.gz YYCUDPOJYHBGDF-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039443153 694364023 /nfs/dbraw/zinc/36/40/23/694364023.db2.gz JAWGJOXWZWHYIH-CABCVRRESA-N 2 2 286.379 1.041 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039443153 694364025 /nfs/dbraw/zinc/36/40/25/694364025.db2.gz JAWGJOXWZWHYIH-CABCVRRESA-N 2 2 286.379 1.041 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571578 694438323 /nfs/dbraw/zinc/43/83/23/694438323.db2.gz PEHJTFILDOGIRT-JHJVBQTASA-N 2 2 288.395 1.643 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000884612405 694488484 /nfs/dbraw/zinc/48/84/84/694488484.db2.gz KUQZRDCSBRLBOE-NSHDSACASA-N 2 2 255.325 1.467 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000884612405 694488489 /nfs/dbraw/zinc/48/84/89/694488489.db2.gz KUQZRDCSBRLBOE-NSHDSACASA-N 2 2 255.325 1.467 20 30 CDEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024511348 692167823 /nfs/dbraw/zinc/16/78/23/692167823.db2.gz FRUUKFBWILFJNW-JKSUJKDBSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024511348 692167827 /nfs/dbraw/zinc/16/78/27/692167827.db2.gz FRUUKFBWILFJNW-JKSUJKDBSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024511348 692167840 /nfs/dbraw/zinc/16/78/40/692167840.db2.gz FRUUKFBWILFJNW-JKSUJKDBSA-N 2 2 291.439 1.465 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001049190576 692245924 /nfs/dbraw/zinc/24/59/24/692245924.db2.gz WXCLQEXGRULZMF-OKILXGFUSA-N 2 2 288.395 1.227 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001049190576 692245933 /nfs/dbraw/zinc/24/59/33/692245933.db2.gz WXCLQEXGRULZMF-OKILXGFUSA-N 2 2 288.395 1.227 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039053333 692309104 /nfs/dbraw/zinc/30/91/04/692309104.db2.gz SYPKVZGETMLPFY-OAHLLOKOSA-N 2 2 285.391 1.186 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039053333 692309106 /nfs/dbraw/zinc/30/91/06/692309106.db2.gz SYPKVZGETMLPFY-OAHLLOKOSA-N 2 2 285.391 1.186 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246729 692396118 /nfs/dbraw/zinc/39/61/18/692396118.db2.gz HZZHVQFDZJOGMP-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246729 692396120 /nfs/dbraw/zinc/39/61/20/692396120.db2.gz HZZHVQFDZJOGMP-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)C(C)C ZINC000783978417 692442949 /nfs/dbraw/zinc/44/29/49/692442949.db2.gz YZMLUKKSMDHZLP-CYBMUJFWSA-N 2 2 276.384 1.590 20 30 CDEDLP C=CC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)C(C)C ZINC000783978417 692442952 /nfs/dbraw/zinc/44/29/52/692442952.db2.gz YZMLUKKSMDHZLP-CYBMUJFWSA-N 2 2 276.384 1.590 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C ZINC000986217479 692642383 /nfs/dbraw/zinc/64/23/83/692642383.db2.gz XKMPAGGKVRYICE-NEPJUHHUSA-N 2 2 262.357 1.107 20 30 CDEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)CC#N)C2)CC1 ZINC000929421893 692924743 /nfs/dbraw/zinc/92/47/43/692924743.db2.gz NXVUDZDBYWFLJW-JKSUJKDBSA-N 2 2 279.428 1.705 20 30 CDEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)CC#N)C2)CC1 ZINC000929421893 692924753 /nfs/dbraw/zinc/92/47/53/692924753.db2.gz NXVUDZDBYWFLJW-JKSUJKDBSA-N 2 2 279.428 1.705 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001020296588 693023881 /nfs/dbraw/zinc/02/38/81/693023881.db2.gz WYJIBZVNRIHFLZ-HAQNSBGRSA-N 2 2 268.320 1.047 20 30 CDEDLP C#CCSCC[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000775633026 693161322 /nfs/dbraw/zinc/16/13/22/693161322.db2.gz OUPKUUWSVYXAJM-UHFFFAOYSA-N 2 2 298.452 1.360 20 30 CDEDLP C=CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001026613431 693220138 /nfs/dbraw/zinc/22/01/38/693220138.db2.gz KGHQWGZSXODXSM-UHFFFAOYSA-N 2 2 262.357 1.086 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993540114 693259096 /nfs/dbraw/zinc/25/90/96/693259096.db2.gz UIWGBBRRNXAIJL-BBRMVZONSA-N 2 2 296.374 1.550 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993540114 693259103 /nfs/dbraw/zinc/25/91/03/693259103.db2.gz UIWGBBRRNXAIJL-BBRMVZONSA-N 2 2 296.374 1.550 20 30 CDEDLP C#CC[N@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028539235 693323930 /nfs/dbraw/zinc/32/39/30/693323930.db2.gz REBCNJPARLPQOR-CQSZACIVSA-N 2 2 296.374 1.328 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028539235 693323937 /nfs/dbraw/zinc/32/39/37/693323937.db2.gz REBCNJPARLPQOR-CQSZACIVSA-N 2 2 296.374 1.328 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001044693812 694641313 /nfs/dbraw/zinc/64/13/13/694641313.db2.gz NHCAKWXZOQFOLO-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014995537 693381989 /nfs/dbraw/zinc/38/19/89/693381989.db2.gz JXNKODRPEKDAMF-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014995537 693381994 /nfs/dbraw/zinc/38/19/94/693381994.db2.gz JXNKODRPEKDAMF-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000989726341 694692868 /nfs/dbraw/zinc/69/28/68/694692868.db2.gz NUJQAWXVHOSFJX-PWSUYJOCSA-N 2 2 262.357 1.026 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001000792744 694616298 /nfs/dbraw/zinc/61/62/98/694616298.db2.gz CJVCLELOGSNZOM-LBPRGKRZSA-N 2 2 296.802 1.594 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001018214928 694634211 /nfs/dbraw/zinc/63/42/11/694634211.db2.gz ZLYRRLXINXNZKT-OKILXGFUSA-N 2 2 288.395 1.512 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009345236 694652130 /nfs/dbraw/zinc/65/21/30/694652130.db2.gz HDOJLPDQVLJVCK-AWEZNQCLSA-N 2 2 290.411 1.807 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009345236 694652136 /nfs/dbraw/zinc/65/21/36/694652136.db2.gz HDOJLPDQVLJVCK-AWEZNQCLSA-N 2 2 290.411 1.807 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995748880 694822700 /nfs/dbraw/zinc/82/27/00/694822700.db2.gz SUSBHIUPOCPROO-CYBMUJFWSA-N 2 2 290.411 1.745 20 30 CDEDLP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014423547 694826914 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HCQRQWIRQCCNHJ-INIZCTEOSA-N 2 2 297.443 1.110 20 30 CDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108035507 920320209 /nfs/dbraw/zinc/32/02/09/920320209.db2.gz HCQRQWIRQCCNHJ-INIZCTEOSA-N 2 2 297.443 1.110 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001034786110 922815658 /nfs/dbraw/zinc/81/56/58/922815658.db2.gz JFOZZLTWRHMYEY-HDJSIYSDSA-N 2 2 290.411 1.854 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085700603 926297630 /nfs/dbraw/zinc/29/76/30/926297630.db2.gz SNVGNTHLIURQAT-AWEZNQCLSA-N 2 2 284.363 1.667 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085700603 926297639 /nfs/dbraw/zinc/29/76/39/926297639.db2.gz SNVGNTHLIURQAT-AWEZNQCLSA-N 2 2 284.363 1.667 20 30 CDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386265 928911815 /nfs/dbraw/zinc/91/18/15/928911815.db2.gz STKRJQDDRDZVFU-ILXRZTDVSA-N 2 2 286.379 1.087 20 30 CDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386265 928911830 /nfs/dbraw/zinc/91/18/30/928911830.db2.gz STKRJQDDRDZVFU-ILXRZTDVSA-N 2 2 286.379 1.087 20 30 CDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386265 928911839 /nfs/dbraw/zinc/91/18/39/928911839.db2.gz STKRJQDDRDZVFU-ILXRZTDVSA-N 2 2 286.379 1.087 20 30 CDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386265 928911848 /nfs/dbraw/zinc/91/18/48/928911848.db2.gz STKRJQDDRDZVFU-ILXRZTDVSA-N 2 2 286.379 1.087 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109770994 929039483 /nfs/dbraw/zinc/03/94/83/929039483.db2.gz JKEAKFLFNMBTGW-XGUBFFRZSA-N 2 2 286.379 1.189 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109770994 929039493 /nfs/dbraw/zinc/03/94/93/929039493.db2.gz JKEAKFLFNMBTGW-XGUBFFRZSA-N 2 2 286.379 1.189 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000885973721 930779258 /nfs/dbraw/zinc/77/92/58/930779258.db2.gz ZFEHQKAMPWJDLC-INIZCTEOSA-N 2 2 294.439 1.955 20 30 CDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154005037 937490627 /nfs/dbraw/zinc/49/06/27/937490627.db2.gz VRBMFJUBDDIDRH-GFCCVEGCSA-N 2 2 284.363 1.636 20 30 CDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154005037 937490629 /nfs/dbraw/zinc/49/06/29/937490629.db2.gz VRBMFJUBDDIDRH-GFCCVEGCSA-N 2 2 284.363 1.636 20 30 CDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]c(C)c1F ZINC001171072405 931487264 /nfs/dbraw/zinc/48/72/64/931487264.db2.gz MCQLEELRRNQQTC-LBPRGKRZSA-N 2 2 295.358 1.590 20 30 CDEDLP C=CCn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC001275381514 931759977 /nfs/dbraw/zinc/75/99/77/931759977.db2.gz WKNLIJGRYAFIIH-MRXNPFEDSA-N 2 2 274.412 1.987 20 30 CDEDLP C=CCn1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC001275381514 931759980 /nfs/dbraw/zinc/75/99/80/931759980.db2.gz WKNLIJGRYAFIIH-MRXNPFEDSA-N 2 2 274.412 1.987 20 30 CDEDLP C=CCn1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC001275381514 931759983 /nfs/dbraw/zinc/75/99/83/931759983.db2.gz WKNLIJGRYAFIIH-MRXNPFEDSA-N 2 2 274.412 1.987 20 30 CDEDLP C=CCn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC001275381514 931759989 /nfs/dbraw/zinc/75/99/89/931759989.db2.gz WKNLIJGRYAFIIH-MRXNPFEDSA-N 2 2 274.412 1.987 20 30 CDEDLP C=C[C@H](COC)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001118089869 937589513 /nfs/dbraw/zinc/58/95/13/937589513.db2.gz BIYQSBFUYNDBCU-CVEARBPZSA-N 2 2 278.396 1.270 20 30 CDEDLP C=C[C@H](COC)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001118089869 937589516 /nfs/dbraw/zinc/58/95/16/937589516.db2.gz BIYQSBFUYNDBCU-CVEARBPZSA-N 2 2 278.396 1.270 20 30 CDEDLP Cc1ccc(C#N)c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155052519 937627482 /nfs/dbraw/zinc/62/74/82/937627482.db2.gz CGODVSIZGAQIIZ-UHFFFAOYSA-N 2 2 267.336 1.914 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2[nH]ccc3ncc(C#N)c2-3)CC1 ZINC001157914936 938561953 /nfs/dbraw/zinc/56/19/53/938561953.db2.gz ICQZJKAAHNWTPC-UHFFFAOYSA-N 2 2 283.339 1.029 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(Cl)c(C#N)n2)CC1 ZINC001157914855 938562091 /nfs/dbraw/zinc/56/20/91/938562091.db2.gz NIJIJAXQFNTZII-UHFFFAOYSA-N 2 2 278.747 1.201 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161315660 938887399 /nfs/dbraw/zinc/88/73/99/938887399.db2.gz RPXJCDOMFOYKBT-LBPRGKRZSA-N 2 2 296.802 1.294 20 30 CDEDLP C=CCCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206411536 940033395 /nfs/dbraw/zinc/03/33/95/940033395.db2.gz UIFRRHSAMPRTOK-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210847246 940716708 /nfs/dbraw/zinc/71/67/08/940716708.db2.gz MXFGFSWHGULIMQ-ZDUSSCGKSA-N 2 2 276.384 1.417 20 30 CDEDLP C=CC[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccccc1 ZINC001221360190 941522021 /nfs/dbraw/zinc/52/20/21/941522021.db2.gz HBIHXZBJSQWASO-XUWVNRHRSA-N 2 2 285.391 1.370 20 30 CDEDLP CCC[NH+]1CCC([NH2+]Cc2cncc(C#N)c2)CC1 ZINC000721539150 942577213 /nfs/dbraw/zinc/57/72/13/942577213.db2.gz JYMHONTWKBZOLV-UHFFFAOYSA-N 2 2 258.369 1.917 20 30 CDEDLP C=CCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235768416 944271159 /nfs/dbraw/zinc/27/11/59/944271159.db2.gz CSBUQYWKOAOFFH-KBPBESRZSA-N 2 2 268.401 1.945 20 30 CDEDLP C=CCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235768416 944271165 /nfs/dbraw/zinc/27/11/65/944271165.db2.gz CSBUQYWKOAOFFH-KBPBESRZSA-N 2 2 268.401 1.945 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001261500306 946146643 /nfs/dbraw/zinc/14/66/43/946146643.db2.gz NSINOCIHVKKAQV-NWDGAFQWSA-N 2 2 275.356 1.137 20 30 CDEDLP COCC[N@H+]([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254665777 947577539 /nfs/dbraw/zinc/57/75/39/947577539.db2.gz PZGNYOCWCMTLPX-HIFRSBDPSA-N 2 2 265.401 1.721 20 30 CDEDLP COCC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254665777 947577548 /nfs/dbraw/zinc/57/75/48/947577548.db2.gz PZGNYOCWCMTLPX-HIFRSBDPSA-N 2 2 265.401 1.721 20 30 CDEDLP Cc1cc(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC001254669315 947585224 /nfs/dbraw/zinc/58/52/24/947585224.db2.gz QTDIDCUCNHUBSU-GJZGRUSLSA-N 2 2 285.395 1.908 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141640 948717623 /nfs/dbraw/zinc/71/76/23/948717623.db2.gz DFIRUVIPVSFQDM-GOSISDBHSA-N 2 2 298.434 1.491 20 30 CDEDLP C=CCOc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c(F)c1 ZINC001249128806 949418211 /nfs/dbraw/zinc/41/82/11/949418211.db2.gz FAZUAAYTOGPNRJ-SECBINFHSA-N 2 2 292.314 1.269 20 30 CDEDLP C=CCOC[C@H](O)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001252467405 951312412 /nfs/dbraw/zinc/31/24/12/951312412.db2.gz YBVRCTKVNMZBSO-OAHLLOKOSA-N 2 2 270.417 1.356 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252553139 951443645 /nfs/dbraw/zinc/44/36/45/951443645.db2.gz SBQFVIKREGIZSI-ZOBUZTSGSA-N 2 2 287.407 1.382 20 30 CDEDLP C[C@H]([NH2+]Cc1cccc(OCC#N)c1)[C@@H]1CCC[NH2+]1 ZINC001327840413 955070603 /nfs/dbraw/zinc/07/06/03/955070603.db2.gz PBECOCNEIBBYAJ-WFASDCNBSA-N 2 2 259.353 1.819 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001368177095 958687745 /nfs/dbraw/zinc/68/77/45/958687745.db2.gz LSDUGTPSFJBZST-JSGCOSHPSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001368177095 958687751 /nfs/dbraw/zinc/68/77/51/958687751.db2.gz LSDUGTPSFJBZST-JSGCOSHPSA-N 2 2 287.835 1.660 20 30 CDEDLP C#C[C@@H](CC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335429194 959798664 /nfs/dbraw/zinc/79/86/64/959798664.db2.gz HECZUTNDLKVFGW-JKSUJKDBSA-N 2 2 260.381 1.481 20 30 CDEDLP C#C[C@@H](CC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335429194 959798674 /nfs/dbraw/zinc/79/86/74/959798674.db2.gz HECZUTNDLKVFGW-JKSUJKDBSA-N 2 2 260.381 1.481 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CCc1[nH+]ccn1C ZINC001419223203 961520773 /nfs/dbraw/zinc/52/07/73/961520773.db2.gz RMHKUISFDBAVOY-LBPRGKRZSA-N 2 2 298.818 1.590 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001419495651 961763649 /nfs/dbraw/zinc/76/36/49/961763649.db2.gz QTFLEXBJKUIPRB-NSHDSACASA-N 2 2 284.791 1.368 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001440483724 964076485 /nfs/dbraw/zinc/07/64/85/964076485.db2.gz PTGBDPNARNGJPL-UHFFFAOYSA-N 2 2 298.818 1.724 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001440483724 964076498 /nfs/dbraw/zinc/07/64/98/964076498.db2.gz PTGBDPNARNGJPL-UHFFFAOYSA-N 2 2 298.818 1.724 20 30 CDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391467 968210166 /nfs/dbraw/zinc/21/01/66/968210166.db2.gz MTUBGZFWNWIRCJ-UHFFFAOYSA-N 2 2 290.411 1.793 20 30 CDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391467 968210174 /nfs/dbraw/zinc/21/01/74/968210174.db2.gz MTUBGZFWNWIRCJ-UHFFFAOYSA-N 2 2 290.411 1.793 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001418567881 973975015 /nfs/dbraw/zinc/97/50/15/973975015.db2.gz RLTVTCBSVNGGEV-UHFFFAOYSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001418567881 973975024 /nfs/dbraw/zinc/97/50/24/973975024.db2.gz RLTVTCBSVNGGEV-UHFFFAOYSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001374967667 974193126 /nfs/dbraw/zinc/19/31/26/974193126.db2.gz WTYRRJDLIPXETC-NSHDSACASA-N 2 2 284.791 1.200 20 30 CDEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132542582 1163354703 /nfs/dbraw/zinc/35/47/03/1163354703.db2.gz REOABEJLWZDARJ-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132542582 1163354708 /nfs/dbraw/zinc/35/47/08/1163354708.db2.gz REOABEJLWZDARJ-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC001574961461 1171063550 /nfs/dbraw/zinc/06/35/50/1171063550.db2.gz ZRHCVASTIRXZPY-ZJUUUORDSA-N 2 2 266.345 1.087 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257680 342098759 /nfs/dbraw/zinc/09/87/59/342098759.db2.gz CDEOAFIFXJXEHJ-AWEZNQCLSA-N 2 2 289.383 1.282 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257680 342098760 /nfs/dbraw/zinc/09/87/60/342098760.db2.gz CDEOAFIFXJXEHJ-AWEZNQCLSA-N 2 2 289.383 1.282 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000592957219 342749924 /nfs/dbraw/zinc/74/99/24/342749924.db2.gz LTNNCNZSWXAJDT-OAHLLOKOSA-N 2 2 286.379 1.140 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157509595 342355118 /nfs/dbraw/zinc/35/51/18/342355118.db2.gz HTEASOFRWYSVBI-CQSZACIVSA-N 2 2 294.443 1.411 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157509595 342355119 /nfs/dbraw/zinc/35/51/19/342355119.db2.gz HTEASOFRWYSVBI-CQSZACIVSA-N 2 2 294.443 1.411 20 30 CDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598721220 343883540 /nfs/dbraw/zinc/88/35/40/343883540.db2.gz TYODXHSTCWJURI-KGLIPLIRSA-N 2 2 267.417 1.751 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000602675962 344525727 /nfs/dbraw/zinc/52/57/27/344525727.db2.gz XSHMNPCLHPXZBV-UONOGXRCSA-N 2 2 253.390 1.363 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000602675962 344525729 /nfs/dbraw/zinc/52/57/29/344525729.db2.gz XSHMNPCLHPXZBV-UONOGXRCSA-N 2 2 253.390 1.363 20 30 CDEDLP COc1cc(C#N)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000611235638 346704192 /nfs/dbraw/zinc/70/41/92/346704192.db2.gz ZJXIOEVBFKJAJD-OKILXGFUSA-N 2 2 257.337 1.218 20 30 CDEDLP COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000611235638 346704193 /nfs/dbraw/zinc/70/41/93/346704193.db2.gz ZJXIOEVBFKJAJD-OKILXGFUSA-N 2 2 257.337 1.218 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641784396 365851839 /nfs/dbraw/zinc/85/18/39/365851839.db2.gz CKPLHVBYBUNYQJ-IRXDYDNUSA-N 2 2 295.471 1.727 20 30 CDEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000602515659 350117497 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C=CCN1CC[C@H]([NH+](C)CC[C@H]2CCCC[N@@H+]2C)C1=O ZINC000337184322 360029665 /nfs/dbraw/zinc/02/96/65/360029665.db2.gz NSEFYZZDAYSJJP-CABCVRRESA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)CC[C@H]2CCCC[N@H+]2C)C1=O ZINC000337184322 360029666 /nfs/dbraw/zinc/02/96/66/360029666.db2.gz NSEFYZZDAYSJJP-CABCVRRESA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000337207343 360039577 /nfs/dbraw/zinc/03/95/77/360039577.db2.gz OKRFHUFQGVFQRH-KBPBESRZSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000337207343 360039581 /nfs/dbraw/zinc/03/95/81/360039581.db2.gz OKRFHUFQGVFQRH-KBPBESRZSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000567363946 370968179 /nfs/dbraw/zinc/96/81/79/370968179.db2.gz VYKOURSMIVDIOZ-AWEZNQCLSA-N 2 2 297.424 1.028 20 30 CDEDLP C=CC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000567363946 370968186 /nfs/dbraw/zinc/96/81/86/370968186.db2.gz VYKOURSMIVDIOZ-AWEZNQCLSA-N 2 2 297.424 1.028 20 30 CDEDLP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000580550957 372016002 /nfs/dbraw/zinc/01/60/02/372016002.db2.gz LHTZKTUEZIVBMO-KBPBESRZSA-N 2 2 288.370 1.618 20 30 CDEDLP C=C[C@@H](C)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342776035 374524052 /nfs/dbraw/zinc/52/40/52/374524052.db2.gz GLGBGLSKFAGVSD-GFCCVEGCSA-N 2 2 254.374 1.568 20 30 CDEDLP Cn1c[nH+]cc1CCC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000328806588 375959906 /nfs/dbraw/zinc/95/99/06/375959906.db2.gz DIESIFZZWBEBNU-UHFFFAOYSA-N 2 2 262.357 1.571 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000077249317 377541943 /nfs/dbraw/zinc/54/19/43/377541943.db2.gz QFGSFPQNRSUHCT-UHFFFAOYSA-N 2 2 280.416 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000077249317 377541948 /nfs/dbraw/zinc/54/19/48/377541948.db2.gz QFGSFPQNRSUHCT-UHFFFAOYSA-N 2 2 280.416 1.165 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000282128897 378025174 /nfs/dbraw/zinc/02/51/74/378025174.db2.gz YMGXFTNTRSQASR-STQMWFEESA-N 2 2 274.368 1.376 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000282128897 378025181 /nfs/dbraw/zinc/02/51/81/378025181.db2.gz YMGXFTNTRSQASR-STQMWFEESA-N 2 2 274.368 1.376 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000293925101 378603265 /nfs/dbraw/zinc/60/32/65/378603265.db2.gz HIJJXXSTJLWPAA-UHFFFAOYSA-N 2 2 296.374 1.557 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000293925101 378603272 /nfs/dbraw/zinc/60/32/72/378603272.db2.gz HIJJXXSTJLWPAA-UHFFFAOYSA-N 2 2 296.374 1.557 20 30 CDEDLP C=C[C@@H](CO)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000352465455 391148730 /nfs/dbraw/zinc/14/87/30/391148730.db2.gz KCTVQMNVOISNOI-NSHDSACASA-N 2 2 281.425 1.546 20 30 CDEDLP C=C[C@@H](CO)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000352465455 391148733 /nfs/dbraw/zinc/14/87/33/391148733.db2.gz KCTVQMNVOISNOI-NSHDSACASA-N 2 2 281.425 1.546 20 30 CDEDLP CCCCNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000303769902 391132042 /nfs/dbraw/zinc/13/20/42/391132042.db2.gz BJIBWNAHCYUHKY-UHFFFAOYSA-N 2 2 296.459 1.726 20 30 CDEDLP CC#CC[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000339764588 391353532 /nfs/dbraw/zinc/35/35/32/391353532.db2.gz UTNQRAYKYRDQGJ-OAHLLOKOSA-N 2 2 285.391 1.969 20 30 CDEDLP CC#CC[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000339764588 391353535 /nfs/dbraw/zinc/35/35/35/391353535.db2.gz UTNQRAYKYRDQGJ-OAHLLOKOSA-N 2 2 285.391 1.969 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328963583 391399617 /nfs/dbraw/zinc/39/96/17/391399617.db2.gz RHNMFCFAGMEBHW-JMSVASOKSA-N 2 2 288.395 1.885 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328963583 391399620 /nfs/dbraw/zinc/39/96/20/391399620.db2.gz RHNMFCFAGMEBHW-JMSVASOKSA-N 2 2 288.395 1.885 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1C#N ZINC000191490581 391485568 /nfs/dbraw/zinc/48/55/68/391485568.db2.gz BJPMCYBWYTXDEI-AWEZNQCLSA-N 2 2 269.352 1.758 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1C#N ZINC000191490581 391485572 /nfs/dbraw/zinc/48/55/72/391485572.db2.gz BJPMCYBWYTXDEI-AWEZNQCLSA-N 2 2 269.352 1.758 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000282080609 391671040 /nfs/dbraw/zinc/67/10/40/391671040.db2.gz UJYVPFGOOGMANE-AWEZNQCLSA-N 2 2 274.368 1.307 20 30 CDEDLP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N(C)C ZINC000262576209 391796976 /nfs/dbraw/zinc/79/69/76/391796976.db2.gz OMCXYXVGUHPYSL-LBPRGKRZSA-N 2 2 264.373 1.554 20 30 CDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@H]1C ZINC000262686352 391812867 /nfs/dbraw/zinc/81/28/67/391812867.db2.gz AQRKBNSUMSGHQM-ZYHUDNBSSA-N 2 2 261.373 1.293 20 30 CDEDLP Cc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425205903 392993629 /nfs/dbraw/zinc/99/36/29/392993629.db2.gz JAWZAOPPSBCYMV-KBPBESRZSA-N 2 2 288.395 1.595 20 30 CDEDLP N#C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000555462137 397880581 /nfs/dbraw/zinc/88/05/81/397880581.db2.gz ICJQMVUTGCJHGZ-JYJNAYRXSA-N 2 2 277.412 1.723 20 30 CDEDLP N#C[C@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000555462137 397880583 /nfs/dbraw/zinc/88/05/83/397880583.db2.gz ICJQMVUTGCJHGZ-JYJNAYRXSA-N 2 2 277.412 1.723 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)nn1 ZINC000657333922 414168557 /nfs/dbraw/zinc/16/85/57/414168557.db2.gz DOUZNSXDOWJJHS-ZDUSSCGKSA-N 2 2 274.372 1.477 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264111606 262873585 /nfs/dbraw/zinc/87/35/85/262873585.db2.gz QVWZEOBGLMTCEN-GFCCVEGCSA-N 2 2 266.414 1.831 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(C#N)cc1 ZINC000181093764 323228090 /nfs/dbraw/zinc/22/80/90/323228090.db2.gz VDGGTEJHJBNRGZ-UHFFFAOYSA-N 2 2 297.362 1.715 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(C#N)cc1 ZINC000181093764 323228092 /nfs/dbraw/zinc/22/80/92/323228092.db2.gz VDGGTEJHJBNRGZ-UHFFFAOYSA-N 2 2 297.362 1.715 20 30 CDEDLP CC(C)([NH3+])c1noc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000579354605 327363286 /nfs/dbraw/zinc/36/32/86/327363286.db2.gz ADXUERYZKCSTAP-UHFFFAOYSA-N 2 2 277.372 1.779 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CCC([NH2+]CC3CC3)CC2)C1=O ZINC000420291873 329760171 /nfs/dbraw/zinc/76/01/71/329760171.db2.gz OFJXDEAQNSSKTM-HNNXBMFYSA-N 2 2 277.412 1.237 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CCC2(C)C)CC1 ZINC000491372791 332199263 /nfs/dbraw/zinc/19/92/63/332199263.db2.gz KYPIBAPUKUYAEZ-CQSZACIVSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CCC2(C)C)CC1 ZINC000491372791 332199264 /nfs/dbraw/zinc/19/92/64/332199264.db2.gz KYPIBAPUKUYAEZ-CQSZACIVSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000491507546 332225541 /nfs/dbraw/zinc/22/55/41/332225541.db2.gz VVRARLRNTBKEDO-WMLDXEAASA-N 2 2 287.407 1.407 20 30 CDEDLP C#C[C@@H](C)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491738136 332317894 /nfs/dbraw/zinc/31/78/94/332317894.db2.gz OTCVEEJCHBVQNJ-CABCVRRESA-N 2 2 285.391 1.968 20 30 CDEDLP C#C[C@@H](C)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491738136 332317895 /nfs/dbraw/zinc/31/78/95/332317895.db2.gz OTCVEEJCHBVQNJ-CABCVRRESA-N 2 2 285.391 1.968 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000491771374 332337887 /nfs/dbraw/zinc/33/78/87/332337887.db2.gz QHXXCZWOYSUGBO-OAHLLOKOSA-N 2 2 250.386 1.319 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000491771374 332337889 /nfs/dbraw/zinc/33/78/89/332337889.db2.gz QHXXCZWOYSUGBO-OAHLLOKOSA-N 2 2 250.386 1.319 20 30 CDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000491771374 332337890 /nfs/dbraw/zinc/33/78/90/332337890.db2.gz QHXXCZWOYSUGBO-OAHLLOKOSA-N 2 2 250.386 1.319 20 30 CDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000491771374 332337891 /nfs/dbraw/zinc/33/78/91/332337891.db2.gz QHXXCZWOYSUGBO-OAHLLOKOSA-N 2 2 250.386 1.319 20 30 CDEDLP CCC#C[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000677802475 482778504 /nfs/dbraw/zinc/77/85/04/482778504.db2.gz LINNVNOGSYTDHL-HUUCEWRRSA-N 2 2 250.386 1.442 20 30 CDEDLP CCC#C[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000677802475 482778509 /nfs/dbraw/zinc/77/85/09/482778509.db2.gz LINNVNOGSYTDHL-HUUCEWRRSA-N 2 2 250.386 1.442 20 30 CDEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981171415 612972153 /nfs/dbraw/zinc/97/21/53/612972153.db2.gz UFTXWNWXWVVTRJ-UONOGXRCSA-N 2 2 296.374 1.827 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703584 613325378 /nfs/dbraw/zinc/32/53/78/613325378.db2.gz XAOKAVPOCLWGBM-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703584 613325381 /nfs/dbraw/zinc/32/53/81/613325381.db2.gz XAOKAVPOCLWGBM-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971998612 613627921 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C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)C1 ZINC000907433497 627666736 /nfs/dbraw/zinc/66/67/36/627666736.db2.gz VLBRYUPAWDRBFX-GJZGRUSLSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)C1 ZINC000907433497 627666739 /nfs/dbraw/zinc/66/67/39/627666739.db2.gz VLBRYUPAWDRBFX-GJZGRUSLSA-N 2 2 277.412 1.073 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702045 695243260 /nfs/dbraw/zinc/24/32/60/695243260.db2.gz RFWPNBZIGHSKSM-AWEZNQCLSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702045 695243265 /nfs/dbraw/zinc/24/32/65/695243265.db2.gz RFWPNBZIGHSKSM-AWEZNQCLSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994512238 695512320 /nfs/dbraw/zinc/51/23/20/695512320.db2.gz XBIXPHXLRJRAPG-KGLIPLIRSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994512238 695512329 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GWGCMSXCMSGHRG-IOASZLSFSA-N 2 2 286.379 1.117 20 30 CDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001046393439 695548455 /nfs/dbraw/zinc/54/84/55/695548455.db2.gz GWGCMSXCMSGHRG-IOASZLSFSA-N 2 2 286.379 1.117 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994297494 695563583 /nfs/dbraw/zinc/56/35/83/695563583.db2.gz GVTVRQIUABOWQG-CHWSQXEVSA-N 2 2 276.384 1.416 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994297494 695563592 /nfs/dbraw/zinc/56/35/92/695563592.db2.gz GVTVRQIUABOWQG-CHWSQXEVSA-N 2 2 276.384 1.416 20 30 CDEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001006193110 695616658 /nfs/dbraw/zinc/61/66/58/695616658.db2.gz QYPFJGWLNNWKNP-UHFFFAOYSA-N 2 2 290.411 1.841 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(=C)C ZINC001038366684 695812179 /nfs/dbraw/zinc/81/21/79/695812179.db2.gz IMQPNAXLNZLPHA-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(=C)C ZINC001038366684 695812181 /nfs/dbraw/zinc/81/21/81/695812181.db2.gz IMQPNAXLNZLPHA-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC(=C)C ZINC001038366684 695812184 /nfs/dbraw/zinc/81/21/84/695812184.db2.gz IMQPNAXLNZLPHA-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC(=C)C ZINC001038366684 695812185 /nfs/dbraw/zinc/81/21/85/695812185.db2.gz IMQPNAXLNZLPHA-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855318 695825066 /nfs/dbraw/zinc/82/50/66/695825066.db2.gz HNNYEXWKJLZTQJ-INIZCTEOSA-N 2 2 288.395 1.384 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855318 695825067 /nfs/dbraw/zinc/82/50/67/695825067.db2.gz HNNYEXWKJLZTQJ-INIZCTEOSA-N 2 2 288.395 1.384 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000986342081 695827008 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CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891648 1162502097 /nfs/dbraw/zinc/50/20/97/1162502097.db2.gz QIKBZWWMJPNHAP-JHJVBQTASA-N 2 2 276.384 1.574 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891476 1162502246 /nfs/dbraw/zinc/50/22/46/1162502246.db2.gz MFPCAZOTSQJRJM-VXGBXAGGSA-N 2 2 262.357 1.185 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891476 1162502248 /nfs/dbraw/zinc/50/22/48/1162502248.db2.gz MFPCAZOTSQJRJM-VXGBXAGGSA-N 2 2 262.357 1.185 20 30 CDEDLP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001753811599 1159913643 /nfs/dbraw/zinc/91/36/43/1159913643.db2.gz KVOYMNRCXWVDJV-HIFRSBDPSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106064883 1161033215 /nfs/dbraw/zinc/03/32/15/1161033215.db2.gz LNVRQRRICXAIMP-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CCCCCCC[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000876512341 1165859965 /nfs/dbraw/zinc/85/99/65/1165859965.db2.gz MCVXTRSRRVKDBA-UHFFFAOYSA-N 2 2 266.429 1.959 20 30 CDEDLP C#CCCCCCC[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000876512341 1165859970 /nfs/dbraw/zinc/85/99/70/1165859970.db2.gz MCVXTRSRRVKDBA-UHFFFAOYSA-N 2 2 266.429 1.959 20 30 CDEDLP Cc1c[nH+]c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c(/C=N/O)c1 ZINC001155528081 1167217124 /nfs/dbraw/zinc/21/71/24/1167217124.db2.gz XOTJPBIYRWMORU-BMSGVVAOSA-N 2 2 290.367 1.235 20 30 CDEDLP C=CCOC[C@H]([NH2+]CC1(CCC)CC[NH2+]CC1)C(=O)OC ZINC001574944052 1171057496 /nfs/dbraw/zinc/05/74/96/1171057496.db2.gz VRMRUUSBDUMLCO-AWEZNQCLSA-N 2 2 298.427 1.490 20 30 CDEDLP N#Cc1ccccc1OCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001580079715 1172344835 /nfs/dbraw/zinc/34/48/35/1172344835.db2.gz CSMNZVMWZSFNTR-HNNXBMFYSA-N 2 2 271.364 1.811 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753113733 1185067560 /nfs/dbraw/zinc/06/75/60/1185067560.db2.gz RICBFQYLKHNFSD-ZIAGYGMSSA-N 2 2 274.368 1.048 20 30 CDEDLP 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ZINC001208365951 940325555 /nfs/dbraw/zinc/32/55/55/940325555.db2.gz UGSXGPOWCMZVRM-MGPQQGTHSA-N 2 2 286.379 1.117 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365951 940325559 /nfs/dbraw/zinc/32/55/59/940325559.db2.gz UGSXGPOWCMZVRM-MGPQQGTHSA-N 2 2 286.379 1.117 20 30 CDEDLP C#CCCC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001209267023 940454945 /nfs/dbraw/zinc/45/49/45/940454945.db2.gz IDXHQAUBKXCSMH-UHFFFAOYSA-N 2 2 284.367 1.142 20 30 CDEDLP C#CCCC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001209267023 940454946 /nfs/dbraw/zinc/45/49/46/940454946.db2.gz IDXHQAUBKXCSMH-UHFFFAOYSA-N 2 2 284.367 1.142 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210669626 940705516 /nfs/dbraw/zinc/70/55/16/940705516.db2.gz ZKLDSNOOYGWIMC-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215132888 940859981 /nfs/dbraw/zinc/85/99/81/940859981.db2.gz QXHICCHSWFHYTA-ZIAGYGMSSA-N 2 2 296.374 1.408 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215199718 940864579 /nfs/dbraw/zinc/86/45/79/940864579.db2.gz BCOIWRKSWVIVAV-ZIAGYGMSSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976248 943705124 /nfs/dbraw/zinc/70/51/24/943705124.db2.gz CZYBFVHBPXPTBE-ZDUSSCGKSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976248 943705126 /nfs/dbraw/zinc/70/51/26/943705126.db2.gz CZYBFVHBPXPTBE-ZDUSSCGKSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013333 943715277 /nfs/dbraw/zinc/71/52/77/943715277.db2.gz UIDXBQUZJPGGGS-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013333 943715279 /nfs/dbraw/zinc/71/52/79/943715279.db2.gz UIDXBQUZJPGGGS-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCOc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235053445 944027398 /nfs/dbraw/zinc/02/73/98/944027398.db2.gz SQGNHPPNUJROQQ-QGZVFWFLSA-N 2 2 287.407 1.389 20 30 CDEDLP C=CCOc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235053445 944027403 /nfs/dbraw/zinc/02/74/03/944027403.db2.gz SQGNHPPNUJROQQ-QGZVFWFLSA-N 2 2 287.407 1.389 20 30 CDEDLP C#CCOCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001261638208 946204767 /nfs/dbraw/zinc/20/47/67/946204767.db2.gz UGWZAAKPJUYXGQ-AWEZNQCLSA-N 2 2 261.369 1.324 20 30 CDEDLP C#CCOCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001261638208 946204778 /nfs/dbraw/zinc/20/47/78/946204778.db2.gz UGWZAAKPJUYXGQ-AWEZNQCLSA-N 2 2 261.369 1.324 20 30 CDEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246089707 947938833 /nfs/dbraw/zinc/93/88/33/947938833.db2.gz DHKIBLPESSCOHI-BYCMXARLSA-N 2 2 261.344 1.779 20 30 CDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CC[NH+](CC)CC1 ZINC001246302781 948096417 /nfs/dbraw/zinc/09/64/17/948096417.db2.gz FRDFKBOFJNQEDA-HNNXBMFYSA-N 3 2 297.443 1.287 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256915373 948456684 /nfs/dbraw/zinc/45/66/84/948456684.db2.gz VHGTYTWPRMFFAY-LSDHHAIUSA-N 2 2 262.401 1.191 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256915373 948456686 /nfs/dbraw/zinc/45/66/86/948456686.db2.gz VHGTYTWPRMFFAY-LSDHHAIUSA-N 2 2 262.401 1.191 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001318434401 958102951 /nfs/dbraw/zinc/10/29/51/958102951.db2.gz CGTYXYWLBPAVNY-INIZCTEOSA-N 2 2 291.439 1.418 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001318434401 958102957 /nfs/dbraw/zinc/10/29/57/958102957.db2.gz CGTYXYWLBPAVNY-INIZCTEOSA-N 2 2 291.439 1.418 20 30 CDEDLP CC(C)(C)NC(NCCn1cc[nH+]c1)=[NH+]C[C@@H]1CCOC1 ZINC001338384734 961771531 /nfs/dbraw/zinc/77/15/31/961771531.db2.gz WBLQYXVHPVSVCZ-ZDUSSCGKSA-N 2 2 293.415 1.253 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001420411963 962880401 /nfs/dbraw/zinc/88/04/01/962880401.db2.gz BARFXRWHAJQKKD-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001420411963 962880381 /nfs/dbraw/zinc/88/03/81/962880381.db2.gz BARFXRWHAJQKKD-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001420411963 962880389 /nfs/dbraw/zinc/88/03/89/962880389.db2.gz BARFXRWHAJQKKD-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001420411963 962880368 /nfs/dbraw/zinc/88/03/68/962880368.db2.gz BARFXRWHAJQKKD-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001444647433 965913073 /nfs/dbraw/zinc/91/30/73/965913073.db2.gz HUGIERGQHGGMIP-LBPRGKRZSA-N 2 2 298.818 1.542 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001448298282 967064678 /nfs/dbraw/zinc/06/46/78/967064678.db2.gz DLUCIOKDHTVJBF-GFCCVEGCSA-N 2 2 299.846 1.660 20 30 CDEDLP CC#CC[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100500317 968524232 /nfs/dbraw/zinc/52/42/32/968524232.db2.gz HHJNJPCKDJIZFE-UHFFFAOYSA-N 2 2 296.374 1.456 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001406106629 976031545 /nfs/dbraw/zinc/03/15/45/976031545.db2.gz STDHRNYITWZVJM-UHFFFAOYSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001406106629 976031557 /nfs/dbraw/zinc/03/15/57/976031557.db2.gz STDHRNYITWZVJM-UHFFFAOYSA-N 2 2 287.835 1.613 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021122 1163535674 /nfs/dbraw/zinc/53/56/74/1163535674.db2.gz JGWKEZDJTKPMSH-GJZGRUSLSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000438998077 361789011 /nfs/dbraw/zinc/78/90/11/361789011.db2.gz JXZHWQBMXZKTJN-GJZGRUSLSA-N 2 2 279.428 1.661 20 30 CDEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000438998077 361789016 /nfs/dbraw/zinc/78/90/16/361789016.db2.gz JXZHWQBMXZKTJN-GJZGRUSLSA-N 2 2 279.428 1.661 20 30 CDEDLP Cc1ccc(CCC[N@@H+]2CC[C@](O)(CC#N)C2)c[nH+]1 ZINC000592521784 342701849 /nfs/dbraw/zinc/70/18/49/342701849.db2.gz CBGYHABSGNAAKM-OAHLLOKOSA-N 2 2 259.353 1.673 20 30 CDEDLP Cc1ccc(CCC[N@H+]2CC[C@](O)(CC#N)C2)c[nH+]1 ZINC000592521784 342701850 /nfs/dbraw/zinc/70/18/50/342701850.db2.gz CBGYHABSGNAAKM-OAHLLOKOSA-N 2 2 259.353 1.673 20 30 CDEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1C[NH2+]C1 ZINC000593323643 342788363 /nfs/dbraw/zinc/78/83/63/342788363.db2.gz RZYYQLXWNWCJHX-CQSZACIVSA-N 3 2 298.434 1.720 20 30 CDEDLP CC[C@H](C#N)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000593441483 342797800 /nfs/dbraw/zinc/79/78/00/342797800.db2.gz TXKKNWKDMMBIRD-CYBMUJFWSA-N 2 2 292.427 1.211 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157509445 342355166 /nfs/dbraw/zinc/35/51/66/342355166.db2.gz HTEASOFRWYSVBI-AWEZNQCLSA-N 2 2 294.443 1.411 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157509445 342355167 /nfs/dbraw/zinc/35/51/67/342355167.db2.gz HTEASOFRWYSVBI-AWEZNQCLSA-N 2 2 294.443 1.411 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000598597054 343841052 /nfs/dbraw/zinc/84/10/52/343841052.db2.gz UXCPMPOGECKDTP-CHWSQXEVSA-N 2 2 276.384 1.890 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000598597054 343841053 /nfs/dbraw/zinc/84/10/53/343841053.db2.gz UXCPMPOGECKDTP-CHWSQXEVSA-N 2 2 276.384 1.890 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000598718514 343882859 /nfs/dbraw/zinc/88/28/59/343882859.db2.gz FQBJKKZWGXGQQD-CYBMUJFWSA-N 2 2 264.373 1.554 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000602530303 344455838 /nfs/dbraw/zinc/45/58/38/344455838.db2.gz PFYSVYDWXRTWLF-UONOGXRCSA-N 2 2 265.401 1.769 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000602530303 344455839 /nfs/dbraw/zinc/45/58/39/344455839.db2.gz PFYSVYDWXRTWLF-UONOGXRCSA-N 2 2 265.401 1.769 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449546777 362754360 /nfs/dbraw/zinc/75/43/60/362754360.db2.gz DTECKCHXFNFQDU-GBOPCIDUSA-N 2 2 250.386 1.935 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449546777 362754365 /nfs/dbraw/zinc/75/43/65/362754365.db2.gz DTECKCHXFNFQDU-GBOPCIDUSA-N 2 2 250.386 1.935 20 30 CDEDLP N#Cc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000602452987 350111197 /nfs/dbraw/zinc/11/11/97/350111197.db2.gz KWKYRIJRNAAHSD-UHFFFAOYSA-N 2 2 267.336 1.987 20 30 CDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000602717873 350144151 /nfs/dbraw/zinc/14/41/51/350144151.db2.gz JLJVNAXBPUCGML-INIZCTEOSA-N 2 2 286.379 1.296 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264063471 362955196 /nfs/dbraw/zinc/95/51/96/362955196.db2.gz AGINPLILYJHXGX-AWEZNQCLSA-N 2 2 278.375 1.909 20 30 CDEDLP CC(C)CNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264075132 362958989 /nfs/dbraw/zinc/95/89/89/362958989.db2.gz GZTBTWGSXNJJCK-UHFFFAOYSA-N 2 2 259.357 1.666 20 30 CDEDLP CCCNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000264095894 362965492 /nfs/dbraw/zinc/96/54/92/362965492.db2.gz MNTLFQJNSLVKGM-CQSZACIVSA-N 2 2 262.401 1.912 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCn2cccn2)CC1 ZINC000157754601 188336126 /nfs/dbraw/zinc/33/61/26/188336126.db2.gz XPBBNNVNZHXAAZ-CQSZACIVSA-N 2 2 262.401 1.902 20 30 CDEDLP C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182102231 189314255 /nfs/dbraw/zinc/31/42/55/189314255.db2.gz FAIQGAFIDMYEIC-CYBMUJFWSA-N 2 2 273.380 1.493 20 30 CDEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000580550960 363921863 /nfs/dbraw/zinc/92/18/63/363921863.db2.gz LHTZKTUEZIVBMO-ZIAGYGMSSA-N 2 2 288.370 1.618 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000570890727 364085967 /nfs/dbraw/zinc/08/59/67/364085967.db2.gz AQECDOWIQBBSBZ-HOCLYGCPSA-N 2 2 282.428 1.499 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000570890727 364085977 /nfs/dbraw/zinc/08/59/77/364085977.db2.gz AQECDOWIQBBSBZ-HOCLYGCPSA-N 2 2 282.428 1.499 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCC(=O)N2)CC1 ZINC000638524323 370720775 /nfs/dbraw/zinc/72/07/75/370720775.db2.gz LRLIZAYWHRPBCF-UKRRQHHQSA-N 2 2 279.428 1.674 20 30 CDEDLP C[N@H+](CC(=O)NC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375753633 370954540 /nfs/dbraw/zinc/95/45/40/370954540.db2.gz AURIRDRVYJKFOY-PBWFPOADSA-N 2 2 290.411 1.106 20 30 CDEDLP C[N@@H+](CC(=O)NC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375753633 370954545 /nfs/dbraw/zinc/95/45/45/370954545.db2.gz AURIRDRVYJKFOY-PBWFPOADSA-N 2 2 290.411 1.106 20 30 CDEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375753633 370954547 /nfs/dbraw/zinc/95/45/47/370954547.db2.gz AURIRDRVYJKFOY-PBWFPOADSA-N 2 2 290.411 1.106 20 30 CDEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375753633 370954551 /nfs/dbraw/zinc/95/45/51/370954551.db2.gz AURIRDRVYJKFOY-PBWFPOADSA-N 2 2 290.411 1.106 20 30 CDEDLP C[N@H+](CCC#N)C[C@@H](O)CNCC(C)(C)[NH+]1CCCCC1 ZINC000567680263 371096719 /nfs/dbraw/zinc/09/67/19/371096719.db2.gz UYPMADZTLPPREE-HNNXBMFYSA-N 2 2 296.459 1.047 20 30 CDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNCC(C)(C)[NH+]1CCCCC1 ZINC000567680263 371096722 /nfs/dbraw/zinc/09/67/22/371096722.db2.gz UYPMADZTLPPREE-HNNXBMFYSA-N 2 2 296.459 1.047 20 30 CDEDLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411823516 374183629 /nfs/dbraw/zinc/18/36/29/374183629.db2.gz VUENEPVNHSCPJC-UHFFFAOYSA-N 2 2 288.395 1.817 20 30 CDEDLP COc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)ccc1C#N ZINC000414955943 374221339 /nfs/dbraw/zinc/22/13/39/374221339.db2.gz PBRTUVWMUHPBRS-BXUZGUMPSA-N 2 2 259.353 1.797 20 30 CDEDLP COC[C@]1(C[NH2+]Cc2cccc(C#N)c2)CCC[NH2+]1 ZINC000517033413 374190796 /nfs/dbraw/zinc/19/07/96/374190796.db2.gz JPOQBRANHKSOPL-OAHLLOKOSA-N 2 2 259.353 1.416 20 30 CDEDLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000459539811 252731107 /nfs/dbraw/zinc/73/11/07/252731107.db2.gz QBKCPGJSXYGGDT-UHFFFAOYSA-N 2 2 294.424 1.878 20 30 CDEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354222933 391411243 /nfs/dbraw/zinc/41/12/43/391411243.db2.gz KETRXELRISAXND-OLZOCXBDSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354222933 391411246 /nfs/dbraw/zinc/41/12/46/391411246.db2.gz KETRXELRISAXND-OLZOCXBDSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354222933 391411247 /nfs/dbraw/zinc/41/12/47/391411247.db2.gz KETRXELRISAXND-OLZOCXBDSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354222933 391411248 /nfs/dbraw/zinc/41/12/48/391411248.db2.gz KETRXELRISAXND-OLZOCXBDSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000372115401 391837622 /nfs/dbraw/zinc/83/76/22/391837622.db2.gz CCVVNJKYTBWLEJ-UHFFFAOYSA-N 2 2 295.471 1.729 20 30 CDEDLP C=CCCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000372115401 391837625 /nfs/dbraw/zinc/83/76/25/391837625.db2.gz CCVVNJKYTBWLEJ-UHFFFAOYSA-N 2 2 295.471 1.729 20 30 CDEDLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000459395584 392431052 /nfs/dbraw/zinc/43/10/52/392431052.db2.gz UJQHDCUBNCIACY-KRWDZBQOSA-N 2 2 296.374 1.908 20 30 CDEDLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000459395584 392431058 /nfs/dbraw/zinc/43/10/58/392431058.db2.gz UJQHDCUBNCIACY-KRWDZBQOSA-N 2 2 296.374 1.908 20 30 CDEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660480170 413156031 /nfs/dbraw/zinc/15/60/31/413156031.db2.gz SFZYNOYGYQBPCC-CVEARBPZSA-N 2 2 264.413 1.975 20 30 CDEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660480170 413156036 /nfs/dbraw/zinc/15/60/36/413156036.db2.gz SFZYNOYGYQBPCC-CVEARBPZSA-N 2 2 264.413 1.975 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660660868 413356972 /nfs/dbraw/zinc/35/69/72/413356972.db2.gz AZRCCWJMKDWXSH-HOCLYGCPSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660660868 413356976 /nfs/dbraw/zinc/35/69/76/413356976.db2.gz AZRCCWJMKDWXSH-HOCLYGCPSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660660868 413356983 /nfs/dbraw/zinc/35/69/83/413356983.db2.gz AZRCCWJMKDWXSH-HOCLYGCPSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660660868 413356989 /nfs/dbraw/zinc/35/69/89/413356989.db2.gz AZRCCWJMKDWXSH-HOCLYGCPSA-N 2 2 277.412 1.191 20 30 CDEDLP C[N@@H+]1CC[C@@H]2CCN(Cc3c[nH+]c4ccc(C#N)cn34)[C@@H]2C1 ZINC000374905554 160325530 /nfs/dbraw/zinc/32/55/30/160325530.db2.gz ZLDOGNUHGNMWNA-GDBMZVCRSA-N 2 2 295.390 1.732 20 30 CDEDLP C[N@H+]1CC[C@@H]2CCN(Cc3c[nH+]c4ccc(C#N)cn34)[C@@H]2C1 ZINC000374905554 160325532 /nfs/dbraw/zinc/32/55/32/160325532.db2.gz ZLDOGNUHGNMWNA-GDBMZVCRSA-N 2 2 295.390 1.732 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000072296480 176363361 /nfs/dbraw/zinc/36/33/61/176363361.db2.gz ZPZRMFQUVZDCJS-QGZVFWFLSA-N 2 2 285.391 1.712 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000072296480 176363362 /nfs/dbraw/zinc/36/33/62/176363362.db2.gz ZPZRMFQUVZDCJS-QGZVFWFLSA-N 2 2 285.391 1.712 20 30 CDEDLP C=CCNC(=[NH+]CC)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160097405 261204109 /nfs/dbraw/zinc/20/41/09/261204109.db2.gz DCYQTEDUGCKECM-KGLIPLIRSA-N 2 2 275.400 1.918 20 30 CDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(CC)CCC#N)CC1 ZINC000111240824 262258253 /nfs/dbraw/zinc/25/82/53/262258253.db2.gz MVJQLJALADNGMP-UHFFFAOYSA-N 2 2 294.443 1.555 20 30 CDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(CC)CCC#N)CC1 ZINC000111240824 262258255 /nfs/dbraw/zinc/25/82/55/262258255.db2.gz MVJQLJALADNGMP-UHFFFAOYSA-N 2 2 294.443 1.555 20 30 CDEDLP C[C@@H]1C[NH+]=C(NCCCc2[nH]c3ccccc3[nH+]2)N1 ZINC000285210639 263091235 /nfs/dbraw/zinc/09/12/35/263091235.db2.gz WSXVPSZJURDIEN-SNVBAGLBSA-N 2 2 257.341 1.433 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655710578 424473486 /nfs/dbraw/zinc/47/34/86/424473486.db2.gz BLFAMSSLKAUVOD-AWEZNQCLSA-N 2 2 260.385 1.958 20 30 CDEDLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000447535644 280190257 /nfs/dbraw/zinc/19/02/57/280190257.db2.gz HMJXEISSBGJOAA-DLBZAZTESA-N 2 2 286.423 1.845 20 30 CDEDLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000447535644 280190258 /nfs/dbraw/zinc/19/02/58/280190258.db2.gz HMJXEISSBGJOAA-DLBZAZTESA-N 2 2 286.423 1.845 20 30 CDEDLP CC[N@@H+](CCNC1=[NH+]C[C@@H](C)N1)CCC(F)(F)F ZINC000262665869 330025565 /nfs/dbraw/zinc/02/55/65/330025565.db2.gz ORPDUECQWSKVKN-SECBINFHSA-N 2 2 266.311 1.198 20 30 CDEDLP CC[N@H+](CCNC1=[NH+]C[C@@H](C)N1)CCC(F)(F)F ZINC000262665869 330025564 /nfs/dbraw/zinc/02/55/64/330025564.db2.gz ORPDUECQWSKVKN-SECBINFHSA-N 2 2 266.311 1.198 20 30 CDEDLP C=CC(C)(C)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000576864341 335257236 /nfs/dbraw/zinc/25/72/36/335257236.db2.gz SISZMHHEUWLPOK-IHRRRGAJSA-N 2 2 270.417 1.258 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657874804 482907883 /nfs/dbraw/zinc/90/78/83/482907883.db2.gz AUOOKLHKTHNJKJ-AWEZNQCLSA-N 2 2 260.385 1.958 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113674882 1162252131 /nfs/dbraw/zinc/25/21/31/1162252131.db2.gz RIVRDPAEJYTYHD-UHFFFAOYSA-N 2 2 265.401 1.193 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353540553 526630471 /nfs/dbraw/zinc/63/04/71/526630471.db2.gz DILHOFVLAGJVOG-AWEZNQCLSA-N 2 2 293.411 1.724 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353540553 526630474 /nfs/dbraw/zinc/63/04/74/526630474.db2.gz DILHOFVLAGJVOG-AWEZNQCLSA-N 2 2 293.411 1.724 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353540553 526630481 /nfs/dbraw/zinc/63/04/81/526630481.db2.gz DILHOFVLAGJVOG-AWEZNQCLSA-N 2 2 293.411 1.724 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353540553 526630484 /nfs/dbraw/zinc/63/04/84/526630484.db2.gz DILHOFVLAGJVOG-AWEZNQCLSA-N 2 2 293.411 1.724 20 30 CDEDLP C=CCCOCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352761414 527366383 /nfs/dbraw/zinc/36/63/83/527366383.db2.gz XHDLRMZBKKPCQF-UHFFFAOYSA-N 2 2 269.414 1.887 20 30 CDEDLP CC[NH+]1CCC([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330180646 528958629 /nfs/dbraw/zinc/95/86/29/528958629.db2.gz GBSDZHSCWXPGBH-CYBMUJFWSA-N 2 2 291.399 1.186 20 30 CDEDLP CC[NH+]1CCC(NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330180646 528958631 /nfs/dbraw/zinc/95/86/31/528958631.db2.gz GBSDZHSCWXPGBH-CYBMUJFWSA-N 2 2 291.399 1.186 20 30 CDEDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345031303 528988870 /nfs/dbraw/zinc/98/88/70/528988870.db2.gz AEACEBOULPYKTL-GFCCVEGCSA-N 2 2 278.400 1.011 20 30 CDEDLP CC#CCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000766068289 576076243 /nfs/dbraw/zinc/07/62/43/576076243.db2.gz BUZCZNHQOLCMRX-UHFFFAOYSA-N 2 2 287.363 1.179 20 30 CDEDLP C[C@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[N@@H+]1C ZINC000761857099 576598252 /nfs/dbraw/zinc/59/82/52/576598252.db2.gz HGLIONPHZGCSLU-JTQLQIEISA-N 2 2 271.328 1.154 20 30 CDEDLP C[C@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[N@H+]1C ZINC000761857099 576598253 /nfs/dbraw/zinc/59/82/53/576598253.db2.gz HGLIONPHZGCSLU-JTQLQIEISA-N 2 2 271.328 1.154 20 30 CDEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971929067 613095470 /nfs/dbraw/zinc/09/54/70/613095470.db2.gz RNUAEWKHYSJRBC-ZDUSSCGKSA-N 2 2 282.347 1.114 20 30 CDEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971929067 613095471 /nfs/dbraw/zinc/09/54/71/613095471.db2.gz RNUAEWKHYSJRBC-ZDUSSCGKSA-N 2 2 282.347 1.114 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC2)CC1 ZINC000948825776 613196322 /nfs/dbraw/zinc/19/63/22/613196322.db2.gz QRXGGBPKVIPUGJ-INIZCTEOSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC2)CC1 ZINC000948825776 613196323 /nfs/dbraw/zinc/19/63/23/613196323.db2.gz QRXGGBPKVIPUGJ-INIZCTEOSA-N 2 2 289.423 1.028 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945808051 613271104 /nfs/dbraw/zinc/27/11/04/613271104.db2.gz NIHKUTZWIQORTL-GJZGRUSLSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945808051 613271105 /nfs/dbraw/zinc/27/11/05/613271105.db2.gz NIHKUTZWIQORTL-GJZGRUSLSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943765323 613335412 /nfs/dbraw/zinc/33/54/12/613335412.db2.gz BTNXCDOXJSJSFK-OLZOCXBDSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943765323 613335413 /nfs/dbraw/zinc/33/54/13/613335413.db2.gz BTNXCDOXJSJSFK-OLZOCXBDSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000981485047 613347453 /nfs/dbraw/zinc/34/74/53/613347453.db2.gz FYXLZLGENMNESA-ZIAGYGMSSA-N 2 2 290.411 1.854 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971795489 613368661 /nfs/dbraw/zinc/36/86/61/613368661.db2.gz SEJTZOMPDWVAPB-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971795489 613368663 /nfs/dbraw/zinc/36/86/63/613368663.db2.gz SEJTZOMPDWVAPB-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971795489 613368664 /nfs/dbraw/zinc/36/86/64/613368664.db2.gz SEJTZOMPDWVAPB-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939407614 613386820 /nfs/dbraw/zinc/38/68/20/613386820.db2.gz HBWOMXHLKJWYKH-KOLCDFICSA-N 2 2 282.775 1.141 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655298 613575158 /nfs/dbraw/zinc/57/51/58/613575158.db2.gz NSTNNOQWPOJJRG-UKRRQHHQSA-N 2 2 288.395 1.041 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655298 613575159 /nfs/dbraw/zinc/57/51/59/613575159.db2.gz NSTNNOQWPOJJRG-UKRRQHHQSA-N 2 2 288.395 1.041 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980247137 613833593 /nfs/dbraw/zinc/83/35/93/613833593.db2.gz PQAQRFZRYIKMIM-ZNMIVQPWSA-N 2 2 288.395 1.286 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980247137 613833595 /nfs/dbraw/zinc/83/35/95/613833595.db2.gz PQAQRFZRYIKMIM-ZNMIVQPWSA-N 2 2 288.395 1.286 20 30 CDEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001752157402 1159456496 /nfs/dbraw/zinc/45/64/96/1159456496.db2.gz PTGCZBFBWOONCL-GJZGRUSLSA-N 2 2 288.395 1.266 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082601019 1161578838 /nfs/dbraw/zinc/57/88/38/1161578838.db2.gz JFDDFRBGXNULTQ-UMVBOHGHSA-N 2 2 288.395 1.068 20 30 CDEDLP CC#CC[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113160413 1162118174 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289.379 1.169 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001044183443 727307939 /nfs/dbraw/zinc/30/79/39/727307939.db2.gz RGDGSYNYGYWBTI-KGLIPLIRSA-N 2 2 279.428 1.435 20 30 CDEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000817982619 727362677 /nfs/dbraw/zinc/36/26/77/727362677.db2.gz HHHZDHRSVWPCAJ-BBRMVZONSA-N 2 2 274.364 1.338 20 30 CDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999010496 727450423 /nfs/dbraw/zinc/45/04/23/727450423.db2.gz KCXWSLUIJQUOLT-IYXRBSQSSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001044749731 727462824 /nfs/dbraw/zinc/46/28/24/727462824.db2.gz LFDKKUMFBBNTKR-RYUDHWBXSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014936898 727798220 /nfs/dbraw/zinc/79/82/20/727798220.db2.gz GMMWCUSIQNIVQF-GFCCVEGCSA-N 2 2 270.336 1.553 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014936898 727798227 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C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033415569 728095626 /nfs/dbraw/zinc/09/56/26/728095626.db2.gz JJNCOYOCBMNRGJ-KGLIPLIRSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415569 728095632 /nfs/dbraw/zinc/09/56/32/728095632.db2.gz JJNCOYOCBMNRGJ-KGLIPLIRSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415569 728095639 /nfs/dbraw/zinc/09/56/39/728095639.db2.gz JJNCOYOCBMNRGJ-KGLIPLIRSA-N 2 2 299.846 1.756 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000989486990 728229302 /nfs/dbraw/zinc/22/93/02/728229302.db2.gz WZNORFQAEIUWLD-UHFFFAOYSA-N 2 2 276.384 1.408 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000989486990 728229305 /nfs/dbraw/zinc/22/93/05/728229305.db2.gz WZNORFQAEIUWLD-UHFFFAOYSA-N 2 2 276.384 1.408 20 30 CDEDLP C[C@H]1CNC(NN=C2CC[N@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000779793258 728339651 /nfs/dbraw/zinc/33/96/51/728339651.db2.gz YWFMFCVTFGCKLZ-LBPRGKRZSA-N 2 2 271.368 1.186 20 30 CDEDLP C[C@H]1CNC(NN=C2CC[N@@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000779793258 728339654 /nfs/dbraw/zinc/33/96/54/728339654.db2.gz YWFMFCVTFGCKLZ-LBPRGKRZSA-N 2 2 271.368 1.186 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000883131365 728350542 /nfs/dbraw/zinc/35/05/42/728350542.db2.gz YNTYMOMTIWOCNV-UHFFFAOYSA-N 2 2 260.385 1.342 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000883131365 728350543 /nfs/dbraw/zinc/35/05/43/728350543.db2.gz YNTYMOMTIWOCNV-UHFFFAOYSA-N 2 2 260.385 1.342 20 30 CDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209866936 1167358125 /nfs/dbraw/zinc/35/81/25/1167358125.db2.gz WPJPYYHAXRDLMO-CABCVRRESA-N 2 2 288.395 1.438 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106750349 914264869 /nfs/dbraw/zinc/26/48/69/914264869.db2.gz ZYSHNYFWYDQQNS-BFHYXJOUSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106750349 914264879 /nfs/dbraw/zinc/26/48/79/914264879.db2.gz ZYSHNYFWYDQQNS-BFHYXJOUSA-N 2 2 290.411 1.458 20 30 CDEDLP C#CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976325 914477696 /nfs/dbraw/zinc/47/76/96/914477696.db2.gz AWMKZRVSYINJOK-GDBMZVCRSA-N 2 2 256.349 1.622 20 30 CDEDLP C#CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976325 914477707 /nfs/dbraw/zinc/47/77/07/914477707.db2.gz AWMKZRVSYINJOK-GDBMZVCRSA-N 2 2 256.349 1.622 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988843472 908598094 /nfs/dbraw/zinc/59/80/94/908598094.db2.gz JUTOALHUUVHJJL-WFASDCNBSA-N 2 2 296.374 1.469 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179264538 915787468 /nfs/dbraw/zinc/78/74/68/915787468.db2.gz QLPBPJYOUUHMDI-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929065 916071437 /nfs/dbraw/zinc/07/14/37/916071437.db2.gz APTASCIHNUCPPD-JSGCOSHPSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCCC2)CC1 ZINC001180627353 916517419 /nfs/dbraw/zinc/51/74/19/916517419.db2.gz GDYCPHBEILOIBX-UHFFFAOYSA-N 2 2 265.401 1.191 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCCC2)CC1 ZINC001180627353 916517427 /nfs/dbraw/zinc/51/74/27/916517427.db2.gz GDYCPHBEILOIBX-UHFFFAOYSA-N 2 2 265.401 1.191 20 30 CDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181278198 916959587 /nfs/dbraw/zinc/95/95/87/916959587.db2.gz BTVZCYVYJNGHTC-CZUORRHYSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078735146 920422608 /nfs/dbraw/zinc/42/26/08/920422608.db2.gz XZFDKUCLHBEAGW-OLZOCXBDSA-N 2 2 274.368 1.155 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078829147 920477756 /nfs/dbraw/zinc/47/77/56/920477756.db2.gz CNEQGNGKTXBYMH-QWHCGFSZSA-N 2 2 274.368 1.086 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C#N)c3[nH]ccc32)CC1 ZINC001168740869 921976127 /nfs/dbraw/zinc/97/61/27/921976127.db2.gz PWOCCLDMQFOHSB-UHFFFAOYSA-N 2 2 282.351 1.634 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577584 923155370 /nfs/dbraw/zinc/15/53/70/923155370.db2.gz HLJMVVPHTWBLHU-HUUCEWRRSA-N 2 2 290.411 1.943 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577584 923155379 /nfs/dbraw/zinc/15/53/79/923155379.db2.gz HLJMVVPHTWBLHU-HUUCEWRRSA-N 2 2 290.411 1.943 20 30 CDEDLP C=CCn1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)nn1 ZINC001118148976 923620036 /nfs/dbraw/zinc/62/00/36/923620036.db2.gz SLEZDRBXJHKRJR-LLVKDONJSA-N 2 2 286.383 1.477 20 30 CDEDLP CC(C)(C)c1ccc(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072698 927686171 /nfs/dbraw/zinc/68/61/71/927686171.db2.gz SJAMUENOBICLHD-GFCCVEGCSA-N 2 2 299.378 1.299 20 30 CDEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135054763 930023414 /nfs/dbraw/zinc/02/34/14/930023414.db2.gz AWODQUXIYHVNNV-ZIAGYGMSSA-N 2 2 290.411 1.249 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135775286 930405330 /nfs/dbraw/zinc/40/53/30/930405330.db2.gz XBXNAEXBAPHDRH-QWRGUYRKSA-N 2 2 284.791 1.578 20 30 CDEDLP C=C(C)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115788356 937419902 /nfs/dbraw/zinc/41/99/02/937419902.db2.gz ADECHKKBHDQWRX-UHFFFAOYSA-N 2 2 290.411 1.937 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246982957 932602049 /nfs/dbraw/zinc/60/20/49/932602049.db2.gz KYGFKLDIVRPOMR-FUNVUKJBSA-N 2 2 277.368 1.048 20 30 CDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001017565358 935642422 /nfs/dbraw/zinc/64/24/22/935642422.db2.gz KETVQPXEXCPPQD-LVQVYYBASA-N 2 2 289.423 1.025 20 30 CDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001017565358 935642429 /nfs/dbraw/zinc/64/24/29/935642429.db2.gz KETVQPXEXCPPQD-LVQVYYBASA-N 2 2 289.423 1.025 20 30 CDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001017565358 935642432 /nfs/dbraw/zinc/64/24/32/935642432.db2.gz KETVQPXEXCPPQD-LVQVYYBASA-N 2 2 289.423 1.025 20 30 CDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001017565358 935642435 /nfs/dbraw/zinc/64/24/35/935642435.db2.gz KETVQPXEXCPPQD-LVQVYYBASA-N 2 2 289.423 1.025 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417706 935743489 /nfs/dbraw/zinc/74/34/89/935743489.db2.gz SQKNBBLXXKFKPQ-LBPRGKRZSA-N 2 2 270.336 1.553 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417706 935743491 /nfs/dbraw/zinc/74/34/91/935743491.db2.gz SQKNBBLXXKFKPQ-LBPRGKRZSA-N 2 2 270.336 1.553 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038819717 935758252 /nfs/dbraw/zinc/75/82/52/935758252.db2.gz XHGVXSXNMIQZFS-QGZVFWFLSA-N 2 2 299.418 1.576 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038819717 935758253 /nfs/dbraw/zinc/75/82/53/935758253.db2.gz XHGVXSXNMIQZFS-QGZVFWFLSA-N 2 2 299.418 1.576 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161309641 938886324 /nfs/dbraw/zinc/88/63/24/938886324.db2.gz OBVFQRVSYJIMCY-CYBMUJFWSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450366 940755085 /nfs/dbraw/zinc/75/50/85/940755085.db2.gz WMSUIMXZNVFQDW-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450366 940755088 /nfs/dbraw/zinc/75/50/88/940755088.db2.gz WMSUIMXZNVFQDW-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214895074 940843692 /nfs/dbraw/zinc/84/36/92/940843692.db2.gz ZQYGGEKVUZEPGD-RGCMKSIDSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214895074 940843696 /nfs/dbraw/zinc/84/36/96/940843696.db2.gz ZQYGGEKVUZEPGD-RGCMKSIDSA-N 2 2 288.395 1.526 20 30 CDEDLP C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000402356933 940895267 /nfs/dbraw/zinc/89/52/67/940895267.db2.gz UNJFQZHJXDMZOW-KCXAZCMYSA-N 2 2 273.380 1.651 20 30 CDEDLP C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000402356933 940895271 /nfs/dbraw/zinc/89/52/71/940895271.db2.gz UNJFQZHJXDMZOW-KCXAZCMYSA-N 2 2 273.380 1.651 20 30 CDEDLP N#Cc1c[nH]c2cc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)ccc12 ZINC001219044996 941303207 /nfs/dbraw/zinc/30/32/07/941303207.db2.gz UBOLJZYEHSGDPA-IOASZLSFSA-N 2 2 295.346 1.200 20 30 CDEDLP N#Cc1ccc(F)c(F)c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219314300 941329609 /nfs/dbraw/zinc/32/96/09/941329609.db2.gz DKGBKKXILJIVAC-SNVBAGLBSA-N 2 2 291.261 1.068 20 30 CDEDLP N#C[C@@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1ccccc1 ZINC001219558592 941355622 /nfs/dbraw/zinc/35/56/22/941355622.db2.gz RWBOVUDBRYEXPH-HZPDHXFCSA-N 2 2 294.358 1.640 20 30 CDEDLP C=CC[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccccc1 ZINC001221361203 941521748 /nfs/dbraw/zinc/52/17/48/941521748.db2.gz RWECQQQBFNOOKN-UXLLHSPISA-N 2 2 285.391 1.372 20 30 CDEDLP C=CC[C@@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccccc1 ZINC001221361204 941521945 /nfs/dbraw/zinc/52/19/45/941521945.db2.gz RWECQQQBFNOOKN-ZMSDIMECSA-N 2 2 285.391 1.372 20 30 CDEDLP C=CC[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223042997 941653390 /nfs/dbraw/zinc/65/33/90/941653390.db2.gz LPXPKBVGFIGUDA-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229692372 942514317 /nfs/dbraw/zinc/51/43/17/942514317.db2.gz GGRLWXQOXCHZSM-HUUCEWRRSA-N 2 2 288.395 1.003 20 30 CDEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232678321 943360061 /nfs/dbraw/zinc/36/00/61/943360061.db2.gz UVDFXXNODLOFMV-INIZCTEOSA-N 2 2 271.364 1.791 20 30 CDEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232678321 943360069 /nfs/dbraw/zinc/36/00/69/943360069.db2.gz UVDFXXNODLOFMV-INIZCTEOSA-N 2 2 271.364 1.791 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232678321 943360074 /nfs/dbraw/zinc/36/00/74/943360074.db2.gz UVDFXXNODLOFMV-INIZCTEOSA-N 2 2 271.364 1.791 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232678321 943360083 /nfs/dbraw/zinc/36/00/83/943360083.db2.gz UVDFXXNODLOFMV-INIZCTEOSA-N 2 2 271.364 1.791 20 30 CDEDLP C=CCCCCCC[N@@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001234975071 943989746 /nfs/dbraw/zinc/98/97/46/943989746.db2.gz OBQAURODBTVARV-HNNXBMFYSA-N 2 2 251.418 1.712 20 30 CDEDLP C=CCCCCCC[N@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001234975071 943989748 /nfs/dbraw/zinc/98/97/48/943989748.db2.gz OBQAURODBTVARV-HNNXBMFYSA-N 2 2 251.418 1.712 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)c2c1 ZINC001235985012 944348791 /nfs/dbraw/zinc/34/87/91/944348791.db2.gz BTUGYQQEYUABFR-CJNGLKHVSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)c2c1 ZINC001235985012 944348798 /nfs/dbraw/zinc/34/87/98/944348798.db2.gz BTUGYQQEYUABFR-CJNGLKHVSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1cccc2c(C[N@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])c[nH]c21 ZINC001235994418 944361271 /nfs/dbraw/zinc/36/12/71/944361271.db2.gz MILWEJUWPRXVBM-MZBDJJRSSA-N 2 2 296.374 1.445 20 30 CDEDLP N#Cc1cccc2c(C[N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])c[nH]c21 ZINC001235994418 944361273 /nfs/dbraw/zinc/36/12/73/944361273.db2.gz MILWEJUWPRXVBM-MZBDJJRSSA-N 2 2 296.374 1.445 20 30 CDEDLP CC[C@@H](CC#N)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001255170206 947761279 /nfs/dbraw/zinc/76/12/79/947761279.db2.gz PCJYNLSBHAXDQJ-LBPRGKRZSA-N 2 2 264.373 1.809 20 30 CDEDLP C=CC[NH+]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255680377 948070874 /nfs/dbraw/zinc/07/08/74/948070874.db2.gz QQRMBOWVDXUUAV-XYPWUTKMSA-N 2 2 263.429 1.805 20 30 CDEDLP C=CC[NH+]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255680377 948070885 /nfs/dbraw/zinc/07/08/85/948070885.db2.gz QQRMBOWVDXUUAV-XYPWUTKMSA-N 2 2 263.429 1.805 20 30 CDEDLP C=CCN1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255680377 948070896 /nfs/dbraw/zinc/07/08/96/948070896.db2.gz QQRMBOWVDXUUAV-XYPWUTKMSA-N 2 2 263.429 1.805 20 30 CDEDLP C=CCN1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255680377 948070903 /nfs/dbraw/zinc/07/09/03/948070903.db2.gz QQRMBOWVDXUUAV-XYPWUTKMSA-N 2 2 263.429 1.805 20 30 CDEDLP CCCC[C@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)CC[NH2+]1 ZINC001246886933 948502476 /nfs/dbraw/zinc/50/24/76/948502476.db2.gz GBBNHOPQBDFYHO-IHRRRGAJSA-N 2 2 250.390 1.095 20 30 CDEDLP CCCCCCCC[C@@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001252132715 951156020 /nfs/dbraw/zinc/15/60/20/951156020.db2.gz BZNPHYVBFBGAJG-OAHLLOKOSA-N 2 2 298.475 1.870 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001253207155 951802476 /nfs/dbraw/zinc/80/24/76/951802476.db2.gz ABOKHGITEKLHAO-CQSZACIVSA-N 2 2 279.359 1.490 20 30 CDEDLP C=CCCCCCC[C@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001253257200 951827700 /nfs/dbraw/zinc/82/77/00/951827700.db2.gz OPGMYQVONFVVTE-INIZCTEOSA-N 2 2 298.471 1.920 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308165403 956484116 /nfs/dbraw/zinc/48/41/16/956484116.db2.gz AVXPHLCXWFNUBD-AWEZNQCLSA-N 2 2 263.385 1.927 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001438226336 963372275 /nfs/dbraw/zinc/37/22/75/963372275.db2.gz DUONLMWIUQONKQ-AWEZNQCLSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001438226336 963372280 /nfs/dbraw/zinc/37/22/80/963372280.db2.gz DUONLMWIUQONKQ-AWEZNQCLSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001438226336 963372289 /nfs/dbraw/zinc/37/22/89/963372289.db2.gz DUONLMWIUQONKQ-AWEZNQCLSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001438226336 963372295 /nfs/dbraw/zinc/37/22/95/963372295.db2.gz DUONLMWIUQONKQ-AWEZNQCLSA-N 2 2 299.846 1.756 20 30 CDEDLP C#CC[NH+]1CCC(c2nc([C@H]([NH3+])c3ccccc3)no2)CC1 ZINC001345932594 964863929 /nfs/dbraw/zinc/86/39/29/964863929.db2.gz XMYPHRURBQBNJJ-OAHLLOKOSA-N 2 2 296.374 1.930 20 30 CDEDLP C#CC[NH2+]CC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC001353571051 968077853 /nfs/dbraw/zinc/07/78/53/968077853.db2.gz NJLXTXDLWIDTBO-UHFFFAOYSA-N 2 2 263.316 1.049 20 30 CDEDLP C#CC[NH2+]CC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001521470608 970301640 /nfs/dbraw/zinc/30/16/40/970301640.db2.gz RPUBZOZLVNYETO-AWEZNQCLSA-N 2 2 289.379 1.064 20 30 CDEDLP C=CC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195618 1163190685 /nfs/dbraw/zinc/19/06/85/1163190685.db2.gz RJTOFJZGQIETCS-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195618 1163190690 /nfs/dbraw/zinc/19/06/90/1163190690.db2.gz RJTOFJZGQIETCS-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000564857660 365528552 /nfs/dbraw/zinc/52/85/52/365528552.db2.gz OFPJNBLVASRCCU-SJLPKXTDSA-N 2 2 299.418 1.980 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000564857660 365528554 /nfs/dbraw/zinc/52/85/54/365528554.db2.gz OFPJNBLVASRCCU-SJLPKXTDSA-N 2 2 299.418 1.980 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866990 342650454 /nfs/dbraw/zinc/65/04/54/342650454.db2.gz LISRLXBZFZHIGJ-OAHLLOKOSA-N 2 2 290.411 1.945 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866990 342650455 /nfs/dbraw/zinc/65/04/55/342650455.db2.gz LISRLXBZFZHIGJ-OAHLLOKOSA-N 2 2 290.411 1.945 20 30 CDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000595099940 343004024 /nfs/dbraw/zinc/00/40/24/343004024.db2.gz HAWHJLYGHWBFLE-FVQBIDKESA-N 2 2 277.412 1.912 20 30 CDEDLP C=CC[N@@H+](C[C@@H](C)[NH3+])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000442650504 362076668 /nfs/dbraw/zinc/07/66/68/362076668.db2.gz PMRMTCJGARGUSQ-CHWSQXEVSA-N 2 2 286.383 1.559 20 30 CDEDLP C=CC[N@H+](C[C@@H](C)[NH3+])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000442650504 362076674 /nfs/dbraw/zinc/07/66/74/362076674.db2.gz PMRMTCJGARGUSQ-CHWSQXEVSA-N 2 2 286.383 1.559 20 30 CDEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000619718581 349868467 /nfs/dbraw/zinc/86/84/67/349868467.db2.gz QEJFAFTVFZEUJV-OAHLLOKOSA-N 2 2 296.411 1.291 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000598728211 343886707 /nfs/dbraw/zinc/88/67/07/343886707.db2.gz PEZJJAHPEDNROH-CYBMUJFWSA-N 2 2 276.384 1.610 20 30 CDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@@](C)(C[NH3+])C1 ZINC000600888100 349889307 /nfs/dbraw/zinc/88/93/07/349889307.db2.gz YEAVZNLGHDCCCV-LSDHHAIUSA-N 2 2 259.353 1.496 20 30 CDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@](C)(C[NH3+])C1 ZINC000600888100 349889310 /nfs/dbraw/zinc/88/93/10/349889310.db2.gz YEAVZNLGHDCCCV-LSDHHAIUSA-N 2 2 259.353 1.496 20 30 CDEDLP C=CCNC(NCc1cccnc1-n1cc[nH+]c1C)=[NH+]C ZINC000263259695 362402879 /nfs/dbraw/zinc/40/28/79/362402879.db2.gz SCNWZICXQSBNBN-UHFFFAOYSA-N 2 2 284.367 1.427 20 30 CDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397573971 345225784 /nfs/dbraw/zinc/22/57/84/345225784.db2.gz FRLCGZHULAJVQY-UONOGXRCSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397573971 345225785 /nfs/dbraw/zinc/22/57/85/345225785.db2.gz FRLCGZHULAJVQY-UONOGXRCSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397573971 345225787 /nfs/dbraw/zinc/22/57/87/345225787.db2.gz FRLCGZHULAJVQY-UONOGXRCSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397573971 345225789 /nfs/dbraw/zinc/22/57/89/345225789.db2.gz FRLCGZHULAJVQY-UONOGXRCSA-N 2 2 253.390 1.313 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)nn2)CC1 ZINC000414340481 362934699 /nfs/dbraw/zinc/93/46/99/362934699.db2.gz UKSUXYROAIPPPI-UHFFFAOYSA-N 2 2 260.385 1.915 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152382324 188014489 /nfs/dbraw/zinc/01/44/89/188014489.db2.gz VLYAXKYPEZDXAT-OAHLLOKOSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152382324 188014491 /nfs/dbraw/zinc/01/44/91/188014491.db2.gz VLYAXKYPEZDXAT-OAHLLOKOSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152382324 188014492 /nfs/dbraw/zinc/01/44/92/188014492.db2.gz VLYAXKYPEZDXAT-OAHLLOKOSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152382324 188014494 /nfs/dbraw/zinc/01/44/94/188014494.db2.gz VLYAXKYPEZDXAT-OAHLLOKOSA-N 2 2 279.428 1.461 20 30 CDEDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(C#N)s2)CC1 ZINC000155509353 188210731 /nfs/dbraw/zinc/21/07/31/188210731.db2.gz BFNCBYBFCMLJNT-UHFFFAOYSA-N 2 2 279.409 1.508 20 30 CDEDLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000578203077 356270523 /nfs/dbraw/zinc/27/05/23/356270523.db2.gz GXYNBOMXRWEWSG-UHFFFAOYSA-N 2 2 287.407 1.883 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493422895 366356232 /nfs/dbraw/zinc/35/62/32/366356232.db2.gz QNGCSJQQYDZNEY-ONEGZZNKSA-N 2 2 260.341 1.190 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000566951169 358609448 /nfs/dbraw/zinc/60/94/48/358609448.db2.gz OLKSPNNSAKWYSX-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000566951169 358609452 /nfs/dbraw/zinc/60/94/52/358609452.db2.gz OLKSPNNSAKWYSX-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)C1=O ZINC000337196972 360019871 /nfs/dbraw/zinc/01/98/71/360019871.db2.gz WSYAOZVEUFHUAH-KFWWJZLASA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)C1=O ZINC000337196972 360019874 /nfs/dbraw/zinc/01/98/74/360019874.db2.gz WSYAOZVEUFHUAH-KFWWJZLASA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)C1=O ZINC000337196972 360019878 /nfs/dbraw/zinc/01/98/78/360019878.db2.gz WSYAOZVEUFHUAH-KFWWJZLASA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)C1=O ZINC000337196972 360019883 /nfs/dbraw/zinc/01/98/83/360019883.db2.gz WSYAOZVEUFHUAH-KFWWJZLASA-N 2 2 279.428 1.578 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337275082 360052181 /nfs/dbraw/zinc/05/21/81/360052181.db2.gz QFQIJCPVJOMAPN-UHFFFAOYSA-N 2 2 281.444 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337275082 360052183 /nfs/dbraw/zinc/05/21/83/360052183.db2.gz QFQIJCPVJOMAPN-UHFFFAOYSA-N 2 2 281.444 1.829 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000245453834 360696131 /nfs/dbraw/zinc/69/61/31/360696131.db2.gz RLTOWZDMCUXFIW-HZPDHXFCSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000245453834 360696134 /nfs/dbraw/zinc/69/61/34/360696134.db2.gz RLTOWZDMCUXFIW-HZPDHXFCSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245453834 360696137 /nfs/dbraw/zinc/69/61/37/360696137.db2.gz RLTOWZDMCUXFIW-HZPDHXFCSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245453834 360696138 /nfs/dbraw/zinc/69/61/38/360696138.db2.gz RLTOWZDMCUXFIW-HZPDHXFCSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CC[N@@H+](C)CCN(CC)[C@@H](C)C[NH+]1CCOCC1 ZINC000448512338 361041355 /nfs/dbraw/zinc/04/13/55/361041355.db2.gz ZBTUTTYQLWKUHS-HNNXBMFYSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)[C@@H](C)C[NH+]1CCOCC1 ZINC000448512338 361041358 /nfs/dbraw/zinc/04/13/58/361041358.db2.gz ZBTUTTYQLWKUHS-HNNXBMFYSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000102344485 364372939 /nfs/dbraw/zinc/37/29/39/364372939.db2.gz ZJPNLSFWSUJPAK-UHFFFAOYSA-N 2 2 279.428 1.627 20 30 CDEDLP C=CC[C@H](CC)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000375597068 370872400 /nfs/dbraw/zinc/87/24/00/370872400.db2.gz LXPSWNNFPBKEHY-INIZCTEOSA-N 2 2 295.471 1.727 20 30 CDEDLP C=CC[C@H](CC)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000375597068 370872403 /nfs/dbraw/zinc/87/24/03/370872403.db2.gz LXPSWNNFPBKEHY-INIZCTEOSA-N 2 2 295.471 1.727 20 30 CDEDLP N#C[C@H]1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000555511615 370234392 /nfs/dbraw/zinc/23/43/92/370234392.db2.gz ICJQMVUTGCJHGZ-XHSDSOJGSA-N 2 2 277.412 1.723 20 30 CDEDLP N#C[C@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000555511615 370234395 /nfs/dbraw/zinc/23/43/95/370234395.db2.gz ICJQMVUTGCJHGZ-XHSDSOJGSA-N 2 2 277.412 1.723 20 30 CDEDLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)CCO1 ZINC000331736403 204107088 /nfs/dbraw/zinc/10/70/88/204107088.db2.gz BJOXZSQAMQTTNC-XJKSGUPXSA-N 2 2 299.378 1.640 20 30 CDEDLP C[C@H](C[NH2+]Cc1cc(C#N)cs1)C[NH+]1CCOCC1 ZINC000177704524 372109134 /nfs/dbraw/zinc/10/91/34/372109134.db2.gz KUTYGOKMRYVWOU-GFCCVEGCSA-N 2 2 279.409 1.678 20 30 CDEDLP C#Cc1cccc(NC(=O)C[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000130702707 377613752 /nfs/dbraw/zinc/61/37/52/377613752.db2.gz QRCSUXQBXZHCLF-UHFFFAOYSA-N 2 2 282.347 1.435 20 30 CDEDLP C#Cc1cccc(NC(=O)C[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000130702707 377613759 /nfs/dbraw/zinc/61/37/59/377613759.db2.gz QRCSUXQBXZHCLF-UHFFFAOYSA-N 2 2 282.347 1.435 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000289730949 378347686 /nfs/dbraw/zinc/34/76/86/378347686.db2.gz GFYWMSWBPPTBBX-IMJJTQAJSA-N 2 2 260.381 1.786 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000289730949 378347690 /nfs/dbraw/zinc/34/76/90/378347690.db2.gz GFYWMSWBPPTBBX-IMJJTQAJSA-N 2 2 260.381 1.786 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C(C)C)nn2)CC1 ZINC000289881715 378351994 /nfs/dbraw/zinc/35/19/94/378351994.db2.gz XEZXAMFUBWTDQM-UHFFFAOYSA-N 2 2 277.416 1.989 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]CC[N@@H+](CC)CCO ZINC000184550320 378447723 /nfs/dbraw/zinc/44/77/23/378447723.db2.gz GWGYTBFYYLTAMT-UHFFFAOYSA-N 2 2 276.380 1.102 20 30 CDEDLP C[N@H+](CCC#N)C[C@@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000414157871 391115424 /nfs/dbraw/zinc/11/54/24/391115424.db2.gz WXXMMAOOVOGILX-OAHLLOKOSA-N 2 2 284.363 1.756 20 30 CDEDLP C[N@@H+](CCC#N)C[C@@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000414157871 391115427 /nfs/dbraw/zinc/11/54/27/391115427.db2.gz WXXMMAOOVOGILX-OAHLLOKOSA-N 2 2 284.363 1.756 20 30 CDEDLP Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C#N)c[nH+]1 ZINC000520399486 392854630 /nfs/dbraw/zinc/85/46/30/392854630.db2.gz IFBFTLLMARYTAU-WCQYABFASA-N 2 2 256.353 1.721 20 30 CDEDLP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C#N)c[nH+]1 ZINC000520399486 392854633 /nfs/dbraw/zinc/85/46/33/392854633.db2.gz IFBFTLLMARYTAU-WCQYABFASA-N 2 2 256.353 1.721 20 30 CDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000421372747 392933535 /nfs/dbraw/zinc/93/35/35/392933535.db2.gz YURYRLVMYIECTK-ZDUSSCGKSA-N 2 2 291.370 1.755 20 30 CDEDLP C=CCOCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660699391 413380566 /nfs/dbraw/zinc/38/05/66/413380566.db2.gz WCFGKJDWZQHOKZ-UHFFFAOYSA-N 2 2 270.417 1.262 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000657334525 414171952 /nfs/dbraw/zinc/17/19/52/414171952.db2.gz CGKQGNUWYNNCAB-CQSZACIVSA-N 2 2 277.416 1.674 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000657334525 414171961 /nfs/dbraw/zinc/17/19/61/414171961.db2.gz CGKQGNUWYNNCAB-CQSZACIVSA-N 2 2 277.416 1.674 20 30 CDEDLP C[C@@H]1C[N@H+](CCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000345952303 288155568 /nfs/dbraw/zinc/15/55/68/288155568.db2.gz NEHNRLAXSGTHED-HZPDHXFCSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000345952303 288155569 /nfs/dbraw/zinc/15/55/69/288155569.db2.gz NEHNRLAXSGTHED-HZPDHXFCSA-N 2 2 292.471 1.884 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH+]1CCC(CC#N)CC1)C1CC1 ZINC000397221041 329344799 /nfs/dbraw/zinc/34/47/99/329344799.db2.gz JTCYRJQMZHVEOX-CQSZACIVSA-N 2 2 251.374 1.067 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(CC#N)CC1)C1CC1 ZINC000397221041 329344801 /nfs/dbraw/zinc/34/48/01/329344801.db2.gz JTCYRJQMZHVEOX-CQSZACIVSA-N 2 2 251.374 1.067 20 30 CDEDLP C#C[C@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491630801 332253401 /nfs/dbraw/zinc/25/34/01/332253401.db2.gz XNZYYCHZIUFMSX-HNNXBMFYSA-N 2 2 272.392 1.972 20 30 CDEDLP C#C[C@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491630801 332253403 /nfs/dbraw/zinc/25/34/03/332253403.db2.gz XNZYYCHZIUFMSX-HNNXBMFYSA-N 2 2 272.392 1.972 20 30 CDEDLP C=C(CC)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678629561 483137551 /nfs/dbraw/zinc/13/75/51/483137551.db2.gz ZHMURNXHADJRGQ-AWEZNQCLSA-N 2 2 265.401 1.367 20 30 CDEDLP C=C(CC)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678629561 483137557 /nfs/dbraw/zinc/13/75/57/483137557.db2.gz ZHMURNXHADJRGQ-AWEZNQCLSA-N 2 2 265.401 1.367 20 30 CDEDLP Clc1cccc(C#CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000676556911 483528071 /nfs/dbraw/zinc/52/80/71/483528071.db2.gz AYVOYMGWWUYMFP-ZIAGYGMSSA-N 2 2 260.768 1.843 20 30 CDEDLP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000756104869 576977491 /nfs/dbraw/zinc/97/74/91/576977491.db2.gz BBNUDGTVHTWAKR-INIZCTEOSA-N 2 2 284.407 1.821 20 30 CDEDLP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000756104869 576977492 /nfs/dbraw/zinc/97/74/92/576977492.db2.gz BBNUDGTVHTWAKR-INIZCTEOSA-N 2 2 284.407 1.821 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947863409 613266054 /nfs/dbraw/zinc/26/60/54/613266054.db2.gz XMUGPKXSCKOYDA-UONOGXRCSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947863409 613266056 /nfs/dbraw/zinc/26/60/56/613266056.db2.gz XMUGPKXSCKOYDA-UONOGXRCSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948087149 613745275 /nfs/dbraw/zinc/74/52/75/613745275.db2.gz XSRHNJUNCLIZNZ-CHWSQXEVSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948087149 613745279 /nfs/dbraw/zinc/74/52/79/613745279.db2.gz XSRHNJUNCLIZNZ-CHWSQXEVSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000960314183 613870884 /nfs/dbraw/zinc/87/08/84/613870884.db2.gz KMOKKJGMMUNOQX-RHSMWYFYSA-N 2 2 296.374 1.510 20 30 CDEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000981485111 613872822 /nfs/dbraw/zinc/87/28/22/613872822.db2.gz GUSUXMPBJHDKOG-STQMWFEESA-N 2 2 276.384 1.464 20 30 CDEDLP O=C1[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCN1O ZINC000895161259 619379787 /nfs/dbraw/zinc/37/97/87/619379787.db2.gz FIMWUEUSIUMJTA-ZDUSSCGKSA-N 2 2 290.367 1.020 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893456 1162503224 /nfs/dbraw/zinc/50/32/24/1162503224.db2.gz RHVMVDXEJDKYEF-VXGBXAGGSA-N 2 2 262.357 1.185 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129893456 1162503229 /nfs/dbraw/zinc/50/32/29/1162503229.db2.gz RHVMVDXEJDKYEF-VXGBXAGGSA-N 2 2 262.357 1.185 20 30 CDEDLP C[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)C[C@H]1[NH3+] ZINC001206058779 1162553973 /nfs/dbraw/zinc/55/39/73/1162553973.db2.gz PTVAXKIIRLDLQQ-QMTHXVAHSA-N 2 2 254.337 1.819 20 30 CDEDLP C[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)C[C@H]1[NH3+] ZINC001206058779 1162553978 /nfs/dbraw/zinc/55/39/78/1162553978.db2.gz PTVAXKIIRLDLQQ-QMTHXVAHSA-N 2 2 254.337 1.819 20 30 CDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001088355949 1160379603 /nfs/dbraw/zinc/37/96/03/1160379603.db2.gz MDUOVAYTXPUIKJ-HNNXBMFYSA-N 2 2 288.395 1.267 20 30 CDEDLP C#CCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976991 1163126495 /nfs/dbraw/zinc/12/64/95/1163126495.db2.gz SKUCIFFDVZJWNB-UHFFFAOYSA-N 2 2 282.347 1.215 20 30 CDEDLP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135136457 1164131512 /nfs/dbraw/zinc/13/15/12/1164131512.db2.gz IPYUROIAGAOSAD-ZIAGYGMSSA-N 2 2 276.384 1.169 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001570092796 1170075485 /nfs/dbraw/zinc/07/54/85/1170075485.db2.gz NGQDNJHVRRZXLX-CYBMUJFWSA-N 2 2 276.384 1.417 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001753137723 1185081061 /nfs/dbraw/zinc/08/10/61/1185081061.db2.gz CLNLXESEJDMQNW-CQSZACIVSA-N 2 2 290.411 1.367 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001753137723 1185081069 /nfs/dbraw/zinc/08/10/69/1185081069.db2.gz CLNLXESEJDMQNW-CQSZACIVSA-N 2 2 290.411 1.367 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753460124 1185219938 /nfs/dbraw/zinc/21/99/38/1185219938.db2.gz XFLSWCKOQCIMJY-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753460124 1185219944 /nfs/dbraw/zinc/21/99/44/1185219944.db2.gz XFLSWCKOQCIMJY-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CC[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001753841337 1185353384 /nfs/dbraw/zinc/35/33/84/1185353384.db2.gz XJHHBVUZHVIBGG-KBPBESRZSA-N 2 2 278.400 1.751 20 30 CDEDLP CC#CC[NH2+]CCN(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001754081226 1185451985 /nfs/dbraw/zinc/45/19/85/1185451985.db2.gz SYFPRRVYUFTOGX-UHFFFAOYSA-N 2 2 276.384 1.149 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133663304 1163839397 /nfs/dbraw/zinc/83/93/97/1163839397.db2.gz CVMFKNDYFMOJEG-GFCCVEGCSA-N 2 2 276.384 1.502 20 30 CDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])N(C)C2CC2)C[C@@H](C)O1 ZINC000305822546 728835544 /nfs/dbraw/zinc/83/55/44/728835544.db2.gz PNJWRGWIHFKKPY-VXGBXAGGSA-N 2 2 282.432 1.283 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072122237 728843817 /nfs/dbraw/zinc/84/38/17/728843817.db2.gz GQTAHTBUVCSHIC-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072122237 728843818 /nfs/dbraw/zinc/84/38/18/728843818.db2.gz GQTAHTBUVCSHIC-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000883131056 728849623 /nfs/dbraw/zinc/84/96/23/728849623.db2.gz DSPPBIQMNZYERL-UHFFFAOYSA-N 2 2 283.379 1.312 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000883131056 728849625 /nfs/dbraw/zinc/84/96/25/728849625.db2.gz DSPPBIQMNZYERL-UHFFFAOYSA-N 2 2 283.379 1.312 20 30 CDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033163768 728962789 /nfs/dbraw/zinc/96/27/89/728962789.db2.gz RZMHADJZFWAWAM-BFHYXJOUSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033163768 728962792 /nfs/dbraw/zinc/96/27/92/728962792.db2.gz RZMHADJZFWAWAM-BFHYXJOUSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001033163768 728962796 /nfs/dbraw/zinc/96/27/96/728962796.db2.gz RZMHADJZFWAWAM-BFHYXJOUSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001033163768 728962800 /nfs/dbraw/zinc/96/28/00/728962800.db2.gz RZMHADJZFWAWAM-BFHYXJOUSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038777334 729150108 /nfs/dbraw/zinc/15/01/08/729150108.db2.gz ZXRLUFDWKYXJFK-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036854748 728379494 /nfs/dbraw/zinc/37/94/94/728379494.db2.gz QHONQQNCLYEASU-KGLIPLIRSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036854748 728379496 /nfs/dbraw/zinc/37/94/96/728379496.db2.gz QHONQQNCLYEASU-KGLIPLIRSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014796308 728449980 /nfs/dbraw/zinc/44/99/80/728449980.db2.gz HNMMVJCBLDRFKL-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014796308 728449981 /nfs/dbraw/zinc/44/99/81/728449981.db2.gz HNMMVJCBLDRFKL-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001014796308 728449982 /nfs/dbraw/zinc/44/99/82/728449982.db2.gz HNMMVJCBLDRFKL-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001014796308 728449984 /nfs/dbraw/zinc/44/99/84/728449984.db2.gz HNMMVJCBLDRFKL-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000999488144 728576410 /nfs/dbraw/zinc/57/64/10/728576410.db2.gz ZTVNZYQSVDDIJW-AWEZNQCLSA-N 2 2 290.411 1.693 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015623101 729017545 /nfs/dbraw/zinc/01/75/45/729017545.db2.gz OQRSCCGMAWRGRZ-CQSZACIVSA-N 2 2 289.379 1.169 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015623101 729017549 /nfs/dbraw/zinc/01/75/49/729017549.db2.gz OQRSCCGMAWRGRZ-CQSZACIVSA-N 2 2 289.379 1.169 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007705787 729036624 /nfs/dbraw/zinc/03/66/24/729036624.db2.gz OFRBZYJCEARFSA-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007705787 729036629 /nfs/dbraw/zinc/03/66/29/729036629.db2.gz OFRBZYJCEARFSA-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CCN1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000886211640 729048745 /nfs/dbraw/zinc/04/87/45/729048745.db2.gz UMDLIZAWSFPUHD-ZDUSSCGKSA-N 2 2 292.452 1.392 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994512237 729115656 /nfs/dbraw/zinc/11/56/56/729115656.db2.gz XBIXPHXLRJRAPG-KBPBESRZSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994512237 729115661 /nfs/dbraw/zinc/11/56/61/729115661.db2.gz XBIXPHXLRJRAPG-KBPBESRZSA-N 2 2 276.384 1.428 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038777334 729150103 /nfs/dbraw/zinc/15/01/03/729150103.db2.gz ZXRLUFDWKYXJFK-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038777334 729150104 /nfs/dbraw/zinc/15/01/04/729150104.db2.gz ZXRLUFDWKYXJFK-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038777334 729150106 /nfs/dbraw/zinc/15/01/06/729150106.db2.gz ZXRLUFDWKYXJFK-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001036228374 729221326 /nfs/dbraw/zinc/22/13/26/729221326.db2.gz BXMCAKWFSNODGF-CMPLNLGQSA-N 2 2 296.802 1.531 20 30 CDEDLP CC#CC[C@H](CO)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000717751627 729223641 /nfs/dbraw/zinc/22/36/41/729223641.db2.gz YWJPLJJCZUPQCW-OAHLLOKOSA-N 2 2 273.380 1.414 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001044577863 729319995 /nfs/dbraw/zinc/31/99/95/729319995.db2.gz QZWXAWSLIWATKA-KBPBESRZSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CC[C@]1(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CCC[NH2+]1 ZINC000877247472 729345158 /nfs/dbraw/zinc/34/51/58/729345158.db2.gz LSRSBBHXUVYORV-SJLPKXTDSA-N 2 2 299.418 1.988 20 30 CDEDLP C=CC[C@]1(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CCC[NH2+]1 ZINC000877247472 729345160 /nfs/dbraw/zinc/34/51/60/729345160.db2.gz LSRSBBHXUVYORV-SJLPKXTDSA-N 2 2 299.418 1.988 20 30 CDEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877073075 729356055 /nfs/dbraw/zinc/35/60/55/729356055.db2.gz BSDHHXGMRHWLFN-SWLSCSKDSA-N 2 2 258.369 1.916 20 30 CDEDLP C[NH+]=C(NCCCCNc1cccc[nH+]1)NC1CC1 ZINC000303390769 729356502 /nfs/dbraw/zinc/35/65/02/729356502.db2.gz DJKKEMXSDXTHKD-UHFFFAOYSA-N 2 2 261.373 1.601 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014995535 729360363 /nfs/dbraw/zinc/36/03/63/729360363.db2.gz JXNKODRPEKDAMF-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014995535 729360366 /nfs/dbraw/zinc/36/03/66/729360366.db2.gz JXNKODRPEKDAMF-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999835338 729370849 /nfs/dbraw/zinc/37/08/49/729370849.db2.gz IJKVEUGZILTNCV-ZDUSSCGKSA-N 2 2 296.802 1.606 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2c(C)cccn12 ZINC000883131078 729381112 /nfs/dbraw/zinc/38/11/12/729381112.db2.gz FKSLUMSJQTWBEO-UHFFFAOYSA-N 2 2 270.380 1.687 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc2c(C)cccn12 ZINC000883131078 729381114 /nfs/dbraw/zinc/38/11/14/729381114.db2.gz FKSLUMSJQTWBEO-UHFFFAOYSA-N 2 2 270.380 1.687 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869170 729520266 /nfs/dbraw/zinc/52/02/66/729520266.db2.gz BXKCOGQIURLLNP-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869170 729520267 /nfs/dbraw/zinc/52/02/67/729520267.db2.gz BXKCOGQIURLLNP-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001072121794 729543803 /nfs/dbraw/zinc/54/38/03/729543803.db2.gz BJKGGRXRVHVBRA-QWHCGFSZSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001072121794 729543805 /nfs/dbraw/zinc/54/38/05/729543805.db2.gz BJKGGRXRVHVBRA-QWHCGFSZSA-N 2 2 262.357 1.038 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001036275980 729669235 /nfs/dbraw/zinc/66/92/35/729669235.db2.gz PYDPELSUJKPYFF-TZMCWYRMSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031921670 729816466 /nfs/dbraw/zinc/81/64/66/729816466.db2.gz YXXYRBFHJDHPOU-JSGCOSHPSA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031921670 729816467 /nfs/dbraw/zinc/81/64/67/729816467.db2.gz YXXYRBFHJDHPOU-JSGCOSHPSA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000322230 729854179 /nfs/dbraw/zinc/85/41/79/729854179.db2.gz WCBILIJOAXTQGU-LBPRGKRZSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001038424618 729918666 /nfs/dbraw/zinc/91/86/66/729918666.db2.gz SJLRRBMYGGVGQY-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1CC ZINC001037965967 729979571 /nfs/dbraw/zinc/97/95/71/729979571.db2.gz GGBLPZLEVPFVBZ-KBPBESRZSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2(C[NH3+])CCCCC2)C1=O ZINC000883454496 729979953 /nfs/dbraw/zinc/97/99/53/729979953.db2.gz CTLUTOUZSTZHEX-CYBMUJFWSA-N 2 2 265.401 1.367 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)C2(C[NH3+])CCCCC2)C1=O ZINC000883454496 729979954 /nfs/dbraw/zinc/97/99/54/729979954.db2.gz CTLUTOUZSTZHEX-CYBMUJFWSA-N 2 2 265.401 1.367 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC ZINC001037941389 730066419 /nfs/dbraw/zinc/06/64/19/730066419.db2.gz DYGHOEWGSBIJPP-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001036124916 730350123 /nfs/dbraw/zinc/35/01/23/730350123.db2.gz JPVOKDNBDBJTIY-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033579916 730385392 /nfs/dbraw/zinc/38/53/92/730385392.db2.gz AVIQLOORJOZPIW-UONOGXRCSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033579916 730385396 /nfs/dbraw/zinc/38/53/96/730385396.db2.gz AVIQLOORJOZPIW-UONOGXRCSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033579916 730385400 /nfs/dbraw/zinc/38/54/00/730385400.db2.gz AVIQLOORJOZPIW-UONOGXRCSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033579916 730385403 /nfs/dbraw/zinc/38/54/03/730385403.db2.gz AVIQLOORJOZPIW-UONOGXRCSA-N 2 2 299.846 1.613 20 30 CDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175478301 913625553 /nfs/dbraw/zinc/62/55/53/913625553.db2.gz JUUIYCLDRRNTFS-GFCCVEGCSA-N 2 2 264.373 1.403 20 30 CDEDLP C#CCCC[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001209266780 894576251 /nfs/dbraw/zinc/57/62/51/894576251.db2.gz COYNFJKEDLTPSM-SJORKVTESA-N 2 2 286.423 1.587 20 30 CDEDLP C#CCCC[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001209266780 894576234 /nfs/dbraw/zinc/57/62/34/894576234.db2.gz COYNFJKEDLTPSM-SJORKVTESA-N 2 2 286.423 1.587 20 30 CDEDLP C#CCCC[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001209266780 894576240 /nfs/dbraw/zinc/57/62/40/894576240.db2.gz COYNFJKEDLTPSM-SJORKVTESA-N 2 2 286.423 1.587 20 30 CDEDLP C#CCCC[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001209266780 894576268 /nfs/dbraw/zinc/57/62/68/894576268.db2.gz COYNFJKEDLTPSM-SJORKVTESA-N 2 2 286.423 1.587 20 30 CDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994298011 914514255 /nfs/dbraw/zinc/51/42/55/914514255.db2.gz KBDJAEKUKJGGQO-UONOGXRCSA-N 2 2 288.395 1.253 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994298011 914514265 /nfs/dbraw/zinc/51/42/65/914514265.db2.gz KBDJAEKUKJGGQO-UONOGXRCSA-N 2 2 288.395 1.253 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CCc1c[nH+]cn1C ZINC001481873308 902254901 /nfs/dbraw/zinc/25/49/01/902254901.db2.gz AWJQXNNPJUKJTM-LBPRGKRZSA-N 2 2 298.818 1.590 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088434074 907177023 /nfs/dbraw/zinc/17/70/23/907177023.db2.gz OGZDKFPQQMRGAH-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185203233 919476828 /nfs/dbraw/zinc/47/68/28/919476828.db2.gz DYOSVCFAHMUGDJ-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185218277 919482929 /nfs/dbraw/zinc/48/29/29/919482929.db2.gz ZSICFQBEIZIRLO-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000999488147 919762423 /nfs/dbraw/zinc/76/24/23/919762423.db2.gz ZTVNZYQSVDDIJW-CQSZACIVSA-N 2 2 290.411 1.693 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC=C)C[C@H]1C ZINC001079879576 924443505 /nfs/dbraw/zinc/44/35/05/924443505.db2.gz ZIWMZUIEROLGLV-OAGGEKHMSA-N 2 2 289.423 1.097 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC=C)C[C@H]1C ZINC001079879576 924443510 /nfs/dbraw/zinc/44/35/10/924443510.db2.gz ZIWMZUIEROLGLV-OAGGEKHMSA-N 2 2 289.423 1.097 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)C[C@H]1C ZINC001079879576 924443512 /nfs/dbraw/zinc/44/35/12/924443512.db2.gz ZIWMZUIEROLGLV-OAGGEKHMSA-N 2 2 289.423 1.097 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)C[C@H]1C ZINC001079879576 924443515 /nfs/dbraw/zinc/44/35/15/924443515.db2.gz ZIWMZUIEROLGLV-OAGGEKHMSA-N 2 2 289.423 1.097 20 30 CDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511486 925445363 /nfs/dbraw/zinc/44/53/63/925445363.db2.gz GPRCEUUJBQISGB-MCIONIFRSA-N 2 2 286.379 1.087 20 30 CDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511486 925445367 /nfs/dbraw/zinc/44/53/67/925445367.db2.gz GPRCEUUJBQISGB-MCIONIFRSA-N 2 2 286.379 1.087 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483060 937060340 /nfs/dbraw/zinc/06/03/40/937060340.db2.gz VYALOKIIBXTZRO-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483060 937060343 /nfs/dbraw/zinc/06/03/43/937060343.db2.gz VYALOKIIBXTZRO-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085589326 926196243 /nfs/dbraw/zinc/19/62/43/926196243.db2.gz JLRUOUFUFFXTNV-CVEARBPZSA-N 2 2 291.439 1.415 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085589326 926196250 /nfs/dbraw/zinc/19/62/50/926196250.db2.gz JLRUOUFUFFXTNV-CVEARBPZSA-N 2 2 291.439 1.415 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085589326 926196257 /nfs/dbraw/zinc/19/62/57/926196257.db2.gz JLRUOUFUFFXTNV-CVEARBPZSA-N 2 2 291.439 1.415 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085589326 926196263 /nfs/dbraw/zinc/19/62/63/926196263.db2.gz JLRUOUFUFFXTNV-CVEARBPZSA-N 2 2 291.439 1.415 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673188 926272855 /nfs/dbraw/zinc/27/28/55/926272855.db2.gz RPRKWKOYPXWIGW-CYBMUJFWSA-N 2 2 284.363 1.895 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673188 926272866 /nfs/dbraw/zinc/27/28/66/926272866.db2.gz RPRKWKOYPXWIGW-CYBMUJFWSA-N 2 2 284.363 1.895 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086475318 927179741 /nfs/dbraw/zinc/17/97/41/927179741.db2.gz SPLZQEIQZSBCEQ-AVGNSLFASA-N 2 2 288.395 1.500 20 30 CDEDLP C#C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000781917545 937232208 /nfs/dbraw/zinc/23/22/08/937232208.db2.gz LQIYMTQISMQJLS-HUUCEWRRSA-N 2 2 250.386 1.633 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134230414 929657934 /nfs/dbraw/zinc/65/79/34/929657934.db2.gz XLLAXSACZBUTGK-QWHCGFSZSA-N 2 2 276.384 1.239 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](Nc2nc(C)[nH+]c(C)c2C)C1 ZINC000884612937 930606663 /nfs/dbraw/zinc/60/66/63/930606663.db2.gz YERPVIJRAWZBBX-AWEZNQCLSA-N 2 2 258.369 1.911 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](Nc2nc(C)[nH+]c(C)c2C)C1 ZINC000884612937 930606669 /nfs/dbraw/zinc/60/66/69/930606669.db2.gz YERPVIJRAWZBBX-AWEZNQCLSA-N 2 2 258.369 1.911 20 30 CDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C)[nH+]c(C)n1 ZINC001171068740 931482723 /nfs/dbraw/zinc/48/27/23/931482723.db2.gz UXKFDROQFOGZJH-ZDUSSCGKSA-N 2 2 292.383 1.732 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171244946 932111333 /nfs/dbraw/zinc/11/13/33/932111333.db2.gz WFWYHODZVGEEAK-UHFFFAOYSA-N 2 2 264.373 1.025 20 30 CDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111229168 934286612 /nfs/dbraw/zinc/28/66/12/934286612.db2.gz ZPCLVYHDDDUZDU-MCIONIFRSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111229168 934286619 /nfs/dbraw/zinc/28/66/19/934286619.db2.gz ZPCLVYHDDDUZDU-MCIONIFRSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111229168 934286629 /nfs/dbraw/zinc/28/66/29/934286629.db2.gz ZPCLVYHDDDUZDU-MCIONIFRSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111229168 934286635 /nfs/dbraw/zinc/28/66/35/934286635.db2.gz ZPCLVYHDDDUZDU-MCIONIFRSA-N 2 2 299.846 1.802 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114653094 934884367 /nfs/dbraw/zinc/88/43/67/934884367.db2.gz YQKXOBSTEWKGLY-FOLVSLTJSA-N 2 2 288.395 1.286 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114653094 934884373 /nfs/dbraw/zinc/88/43/73/934884373.db2.gz YQKXOBSTEWKGLY-FOLVSLTJSA-N 2 2 288.395 1.286 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001019447326 935705871 /nfs/dbraw/zinc/70/58/71/935705871.db2.gz CPXIPIVEJSCMBM-STQMWFEESA-N 2 2 296.802 1.777 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001044004070 935848424 /nfs/dbraw/zinc/84/84/24/935848424.db2.gz ZEEGTLJQPHWPNH-HNNXBMFYSA-N 2 2 291.439 1.417 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044749732 935869645 /nfs/dbraw/zinc/86/96/45/935869645.db2.gz LFDKKUMFBBNTKR-VXGBXAGGSA-N 2 2 262.357 1.107 20 30 CDEDLP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC001122018426 937899379 /nfs/dbraw/zinc/89/93/79/937899379.db2.gz MTIARNJCUMAMJG-HNNXBMFYSA-N 2 2 299.459 1.201 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163051311 939185560 /nfs/dbraw/zinc/18/55/60/939185560.db2.gz WCYUBHNHKORSRM-UHFFFAOYSA-N 2 2 278.400 1.415 20 30 CDEDLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(C#N)ccc2O)CC1 ZINC001205280482 939876431 /nfs/dbraw/zinc/87/64/31/939876431.db2.gz AIGXVXHFFSTTFS-OAHLLOKOSA-N 2 2 259.353 1.967 20 30 CDEDLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(C#N)ccc2O)CC1 ZINC001205280482 939876435 /nfs/dbraw/zinc/87/64/35/939876435.db2.gz AIGXVXHFFSTTFS-OAHLLOKOSA-N 2 2 259.353 1.967 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208248009 940311913 /nfs/dbraw/zinc/31/19/13/940311913.db2.gz ZTECBDVWXRYYAT-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208248009 940311916 /nfs/dbraw/zinc/31/19/16/940311916.db2.gz ZTECBDVWXRYYAT-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210051081 940659675 /nfs/dbraw/zinc/65/96/75/940659675.db2.gz GSOKWYZABKHDRQ-KBPBESRZSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051081 940659678 /nfs/dbraw/zinc/65/96/78/940659678.db2.gz GSOKWYZABKHDRQ-KBPBESRZSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302467 940681530 /nfs/dbraw/zinc/68/15/30/940681530.db2.gz CGNFRRATDWQVME-KBPBESRZSA-N 2 2 290.411 1.888 20 30 CDEDLP N#Cc1cc[nH]c1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218654575 941253393 /nfs/dbraw/zinc/25/33/93/941253393.db2.gz BSVDPPRLZGTDOD-GFCCVEGCSA-N 2 2 269.308 1.097 20 30 CDEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233386944 943574025 /nfs/dbraw/zinc/57/40/25/943574025.db2.gz OISHBUJCBHZEQA-INIZCTEOSA-N 2 2 271.364 1.791 20 30 CDEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233386944 943574028 /nfs/dbraw/zinc/57/40/28/943574028.db2.gz OISHBUJCBHZEQA-INIZCTEOSA-N 2 2 271.364 1.791 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233386944 943574031 /nfs/dbraw/zinc/57/40/31/943574031.db2.gz OISHBUJCBHZEQA-INIZCTEOSA-N 2 2 271.364 1.791 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233386944 943574035 /nfs/dbraw/zinc/57/40/35/943574035.db2.gz OISHBUJCBHZEQA-INIZCTEOSA-N 2 2 271.364 1.791 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642026 943924285 /nfs/dbraw/zinc/92/42/85/943924285.db2.gz GJWPHOKHVZJKJE-GJZGRUSLSA-N 2 2 297.418 1.222 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001265294693 944328070 /nfs/dbraw/zinc/32/80/70/944328070.db2.gz HTFVBROQLZQUCZ-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001265294693 944328078 /nfs/dbraw/zinc/32/80/78/944328078.db2.gz HTFVBROQLZQUCZ-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001261500305 946146992 /nfs/dbraw/zinc/14/69/92/946146992.db2.gz NSINOCIHVKKAQV-NEPJUHHUSA-N 2 2 275.356 1.137 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255111562 947740579 /nfs/dbraw/zinc/74/05/79/947740579.db2.gz RMOXWEOHWBKVHN-JKSUJKDBSA-N 2 2 270.380 1.058 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255111562 947740604 /nfs/dbraw/zinc/74/06/04/947740604.db2.gz RMOXWEOHWBKVHN-JKSUJKDBSA-N 2 2 270.380 1.058 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246772110 948432755 /nfs/dbraw/zinc/43/27/55/948432755.db2.gz YHVDCWLAOAMMHU-LUKYLMHMSA-N 2 2 294.439 1.953 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246772110 948432760 /nfs/dbraw/zinc/43/27/60/948432760.db2.gz YHVDCWLAOAMMHU-LUKYLMHMSA-N 2 2 294.439 1.953 20 30 CDEDLP C=CCC[C@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001252618408 951511296 /nfs/dbraw/zinc/51/12/96/951511296.db2.gz USUJPLBGTVSYCQ-HNNXBMFYSA-N 2 2 275.396 1.967 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001425250799 957500082 /nfs/dbraw/zinc/50/00/82/957500082.db2.gz UNECWRHOWWRLLG-YPMHNXCESA-N 2 2 287.835 1.516 20 30 CDEDLP C#C[C@H](CC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335429193 959798554 /nfs/dbraw/zinc/79/85/54/959798554.db2.gz HECZUTNDLKVFGW-HZPDHXFCSA-N 2 2 260.381 1.481 20 30 CDEDLP C#C[C@H](CC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335429193 959798567 /nfs/dbraw/zinc/79/85/67/959798567.db2.gz HECZUTNDLKVFGW-HZPDHXFCSA-N 2 2 260.381 1.481 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001444647427 965912291 /nfs/dbraw/zinc/91/22/91/965912291.db2.gz HUGIERGQHGGMIP-GFCCVEGCSA-N 2 2 298.818 1.542 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100440233 968362037 /nfs/dbraw/zinc/36/20/37/968362037.db2.gz OPFODHGXAKHICM-UHFFFAOYSA-N 2 2 290.411 1.597 20 30 CDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710229 968995155 /nfs/dbraw/zinc/99/51/55/968995155.db2.gz JCJQHAQPBVDPGH-UHFFFAOYSA-N 2 2 276.384 1.403 20 30 CDEDLP C#CC[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001091154956 969988169 /nfs/dbraw/zinc/98/81/69/969988169.db2.gz XVZMECRFOHRXBT-UHFFFAOYSA-N 2 2 285.391 1.738 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376350378 974635759 /nfs/dbraw/zinc/63/57/59/974635759.db2.gz RYIYNINLNIXYOV-NEPJUHHUSA-N 2 2 296.802 1.531 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)CCC ZINC001401421092 975656495 /nfs/dbraw/zinc/65/64/95/975656495.db2.gz BLBHKHWSOOWGSG-UHFFFAOYSA-N 2 2 275.824 1.471 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@H+](C)CCC ZINC001401421092 975656499 /nfs/dbraw/zinc/65/64/99/975656499.db2.gz BLBHKHWSOOWGSG-UHFFFAOYSA-N 2 2 275.824 1.471 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)CCC ZINC001401421092 975656502 /nfs/dbraw/zinc/65/65/02/975656502.db2.gz BLBHKHWSOOWGSG-UHFFFAOYSA-N 2 2 275.824 1.471 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392688841 977549337 /nfs/dbraw/zinc/54/93/37/977549337.db2.gz DUJCAXJUXKGMCM-LBPRGKRZSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392688841 977549345 /nfs/dbraw/zinc/54/93/45/977549345.db2.gz DUJCAXJUXKGMCM-LBPRGKRZSA-N 2 2 287.835 1.517 20 30 CDEDLP CN(C(=O)CCCC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589708186 342512845 /nfs/dbraw/zinc/51/28/45/342512845.db2.gz RAWDFXKQJCKDKT-HNNXBMFYSA-N 2 2 292.427 1.307 20 30 CDEDLP CN(C(=O)CCCC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589708186 342512846 /nfs/dbraw/zinc/51/28/46/342512846.db2.gz RAWDFXKQJCKDKT-HNNXBMFYSA-N 2 2 292.427 1.307 20 30 CDEDLP C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CCC[NH+](C)C1 ZINC000592497831 342697358 /nfs/dbraw/zinc/69/73/58/342697358.db2.gz AGPQXKSOKTTXJQ-ZDUSSCGKSA-N 2 2 298.394 1.375 20 30 CDEDLP C[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CCC[NH+](C)C1 ZINC000592497831 342697359 /nfs/dbraw/zinc/69/73/59/342697359.db2.gz AGPQXKSOKTTXJQ-ZDUSSCGKSA-N 2 2 298.394 1.375 20 30 CDEDLP C[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000592497831 342697360 /nfs/dbraw/zinc/69/73/60/342697360.db2.gz AGPQXKSOKTTXJQ-ZDUSSCGKSA-N 2 2 298.394 1.375 20 30 CDEDLP C[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000592497831 342697361 /nfs/dbraw/zinc/69/73/61/342697361.db2.gz AGPQXKSOKTTXJQ-ZDUSSCGKSA-N 2 2 298.394 1.375 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000594009338 342862969 /nfs/dbraw/zinc/86/29/69/342862969.db2.gz CULVGEXKRRKFKU-HZPDHXFCSA-N 2 2 275.396 1.761 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000594009338 342862970 /nfs/dbraw/zinc/86/29/70/342862970.db2.gz CULVGEXKRRKFKU-HZPDHXFCSA-N 2 2 275.396 1.761 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594614047 342927956 /nfs/dbraw/zinc/92/79/56/342927956.db2.gz YAWOQOHMRKFBRP-HIFRSBDPSA-N 2 2 265.401 1.912 20 30 CDEDLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595889631 343181765 /nfs/dbraw/zinc/18/17/65/343181765.db2.gz APBGOPYDMUFLBL-WFASDCNBSA-N 2 2 259.353 1.149 20 30 CDEDLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595889631 343181767 /nfs/dbraw/zinc/18/17/67/343181767.db2.gz APBGOPYDMUFLBL-WFASDCNBSA-N 2 2 259.353 1.149 20 30 CDEDLP Cc1cc(N2CCC(CO)([NH2+]C(C)C)CC2)c(C#N)c[nH+]1 ZINC000596251357 343274873 /nfs/dbraw/zinc/27/48/73/343274873.db2.gz RDEFHCABYBJMCE-UHFFFAOYSA-N 2 2 288.395 1.591 20 30 CDEDLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602545497 344461720 /nfs/dbraw/zinc/46/17/20/344461720.db2.gz DKHCYJAGCIJPJC-HUUCEWRRSA-N 2 2 295.427 1.396 20 30 CDEDLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602545497 344461722 /nfs/dbraw/zinc/46/17/22/344461722.db2.gz DKHCYJAGCIJPJC-HUUCEWRRSA-N 2 2 295.427 1.396 20 30 CDEDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000314208297 344910756 /nfs/dbraw/zinc/91/07/56/344910756.db2.gz UPFFFOZKMDCFFE-CJNGLKHVSA-N 2 2 291.395 1.148 20 30 CDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000314208297 344910759 /nfs/dbraw/zinc/91/07/59/344910759.db2.gz UPFFFOZKMDCFFE-CJNGLKHVSA-N 2 2 291.395 1.148 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000297613945 200242392 /nfs/dbraw/zinc/24/23/92/200242392.db2.gz IQZFDZPEHPRLGA-CQSZACIVSA-N 2 2 260.385 1.958 20 30 CDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433313165 361233272 /nfs/dbraw/zinc/23/32/72/361233272.db2.gz UPIAUJPEOZJVGV-UHFFFAOYSA-N 2 2 294.443 1.457 20 30 CDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000433313165 361233279 /nfs/dbraw/zinc/23/32/79/361233279.db2.gz UPIAUJPEOZJVGV-UHFFFAOYSA-N 2 2 294.443 1.457 20 30 CDEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000329677077 361703149 /nfs/dbraw/zinc/70/31/49/361703149.db2.gz VAGKCWCPTYYAGD-QMTHXVAHSA-N 2 2 274.368 1.850 20 30 CDEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000329677077 361703157 /nfs/dbraw/zinc/70/31/57/361703157.db2.gz VAGKCWCPTYYAGD-QMTHXVAHSA-N 2 2 274.368 1.850 20 30 CDEDLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000329677077 361703163 /nfs/dbraw/zinc/70/31/63/361703163.db2.gz VAGKCWCPTYYAGD-QMTHXVAHSA-N 2 2 274.368 1.850 20 30 CDEDLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000329677077 361703169 /nfs/dbraw/zinc/70/31/69/361703169.db2.gz VAGKCWCPTYYAGD-QMTHXVAHSA-N 2 2 274.368 1.850 20 30 CDEDLP COCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000130824936 373754573 /nfs/dbraw/zinc/75/45/73/373754573.db2.gz ICAMNJJFUVMMLU-UHFFFAOYSA-N 2 2 284.363 1.903 20 30 CDEDLP COCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000130824936 373754587 /nfs/dbraw/zinc/75/45/87/373754587.db2.gz ICAMNJJFUVMMLU-UHFFFAOYSA-N 2 2 284.363 1.903 20 30 CDEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245447458 376045955 /nfs/dbraw/zinc/04/59/55/376045955.db2.gz MCFREMQWVAFLDA-ZIAGYGMSSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245447458 376045958 /nfs/dbraw/zinc/04/59/58/376045958.db2.gz MCFREMQWVAFLDA-ZIAGYGMSSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245447458 376045960 /nfs/dbraw/zinc/04/59/60/376045960.db2.gz MCFREMQWVAFLDA-ZIAGYGMSSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245447458 376045962 /nfs/dbraw/zinc/04/59/62/376045962.db2.gz MCFREMQWVAFLDA-ZIAGYGMSSA-N 2 2 280.416 1.021 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190694480 377897025 /nfs/dbraw/zinc/89/70/25/377897025.db2.gz YLGVGFWXXTTZPI-INIZCTEOSA-N 2 2 290.411 1.343 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190694480 377897029 /nfs/dbraw/zinc/89/70/29/377897029.db2.gz YLGVGFWXXTTZPI-INIZCTEOSA-N 2 2 290.411 1.343 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC3(C#N)CC3)C2)CC1 ZINC000343322647 378457965 /nfs/dbraw/zinc/45/79/65/378457965.db2.gz RLOZSVQKBGUPBI-CQSZACIVSA-N 2 2 262.401 1.002 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC3(C#N)CC3)C2)CC1 ZINC000343322647 378457972 /nfs/dbraw/zinc/45/79/72/378457972.db2.gz RLOZSVQKBGUPBI-CQSZACIVSA-N 2 2 262.401 1.002 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc([C@@H](C)O)s2)CC1 ZINC000289291635 197286127 /nfs/dbraw/zinc/28/61/27/197286127.db2.gz PRYFACYZRNFJJG-LLVKDONJSA-N 2 2 281.425 1.936 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000104155373 390484681 /nfs/dbraw/zinc/48/46/81/390484681.db2.gz CKBWLORUOBGIRH-AWEZNQCLSA-N 2 2 278.375 1.909 20 30 CDEDLP C#CCCNC(=[NH+]CC)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261980182 391746562 /nfs/dbraw/zinc/74/65/62/391746562.db2.gz OSFFGOVDGGILPB-CABCVRRESA-N 2 2 287.411 1.755 20 30 CDEDLP C#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000290230851 391770996 /nfs/dbraw/zinc/77/09/96/391770996.db2.gz FWWKMPZGRYEJEN-MRXNPFEDSA-N 2 2 285.391 1.097 20 30 CDEDLP C#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000290230851 391770999 /nfs/dbraw/zinc/77/09/99/391770999.db2.gz FWWKMPZGRYEJEN-MRXNPFEDSA-N 2 2 285.391 1.097 20 30 CDEDLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329813347 391783813 /nfs/dbraw/zinc/78/38/13/391783813.db2.gz DJXOKZGTYBZPJY-ZDUSSCGKSA-N 2 2 291.399 1.345 20 30 CDEDLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329813347 391783816 /nfs/dbraw/zinc/78/38/16/391783816.db2.gz DJXOKZGTYBZPJY-ZDUSSCGKSA-N 2 2 291.399 1.345 20 30 CDEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404664986 391778496 /nfs/dbraw/zinc/77/84/96/391778496.db2.gz ZBZLATOPNANJIH-SMDDNHRTSA-N 2 2 277.343 1.554 20 30 CDEDLP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000421372746 392933699 /nfs/dbraw/zinc/93/36/99/392933699.db2.gz YURYRLVMYIECTK-CYBMUJFWSA-N 2 2 291.370 1.755 20 30 CDEDLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329244793 227378765 /nfs/dbraw/zinc/37/87/65/227378765.db2.gz QCYMIYFXSKYXAE-NSHDSACASA-N 2 2 262.357 1.783 20 30 CDEDLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329244793 227378773 /nfs/dbraw/zinc/37/87/73/227378773.db2.gz QCYMIYFXSKYXAE-NSHDSACASA-N 2 2 262.357 1.783 20 30 CDEDLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329244793 227378778 /nfs/dbraw/zinc/37/87/78/227378778.db2.gz QCYMIYFXSKYXAE-NSHDSACASA-N 2 2 262.357 1.783 20 30 CDEDLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329244793 227378783 /nfs/dbraw/zinc/37/87/83/227378783.db2.gz QCYMIYFXSKYXAE-NSHDSACASA-N 2 2 262.357 1.783 20 30 CDEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCOCC1)c1ccc(F)cc1 ZINC000104167860 260620001 /nfs/dbraw/zinc/62/00/01/260620001.db2.gz QJHVBLWICIXJFR-CQSZACIVSA-N 2 2 294.374 1.075 20 30 CDEDLP C=CCC(C)(C)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000521031016 262199592 /nfs/dbraw/zinc/19/95/92/262199592.db2.gz MNPHBKONCAMYCT-KKUMJFAQSA-N 2 2 284.444 1.648 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294590 267383034 /nfs/dbraw/zinc/38/30/34/267383034.db2.gz LVQJLWFNVOZTLF-YNEHKIRRSA-N 2 2 258.793 1.922 20 30 CDEDLP C=C(Cl)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294590 267383032 /nfs/dbraw/zinc/38/30/32/267383032.db2.gz LVQJLWFNVOZTLF-YNEHKIRRSA-N 2 2 258.793 1.922 20 30 CDEDLP C[C@@H]1C[N@H+](CC2(C#N)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343576073 288148815 /nfs/dbraw/zinc/14/88/15/288148815.db2.gz AUJCLJJWPIVBCD-HUUCEWRRSA-N 2 2 276.428 1.248 20 30 CDEDLP C[C@@H]1C[N@@H+](CC2(C#N)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343576073 288148817 /nfs/dbraw/zinc/14/88/17/288148817.db2.gz AUJCLJJWPIVBCD-HUUCEWRRSA-N 2 2 276.428 1.248 20 30 CDEDLP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](C#N)CCC#N)CCCO1 ZINC000573318348 327134320 /nfs/dbraw/zinc/13/43/20/327134320.db2.gz WSJNCQTXBHXJFR-LSDHHAIUSA-N 2 2 278.400 1.520 20 30 CDEDLP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](C#N)CCC#N)CCCO1 ZINC000573318348 327134321 /nfs/dbraw/zinc/13/43/21/327134321.db2.gz WSJNCQTXBHXJFR-LSDHHAIUSA-N 2 2 278.400 1.520 20 30 CDEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCSCC1)c1ccsc1 ZINC000261992318 329995077 /nfs/dbraw/zinc/99/50/77/329995077.db2.gz MLGCQDJQPOTSCE-GFCCVEGCSA-N 2 2 298.481 1.714 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000491071561 332146593 /nfs/dbraw/zinc/14/65/93/332146593.db2.gz LMTRIOFSIFSARH-NVXWUHKLSA-N 2 2 299.418 1.379 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000491071561 332146594 /nfs/dbraw/zinc/14/65/94/332146594.db2.gz LMTRIOFSIFSARH-NVXWUHKLSA-N 2 2 299.418 1.379 20 30 CDEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@@H](O)C[N@@H+](C)CC ZINC000521757573 333187022 /nfs/dbraw/zinc/18/70/22/333187022.db2.gz SCZWSKSWCKBXJL-INIZCTEOSA-N 2 2 292.423 1.996 20 30 CDEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@@H](O)C[N@H+](C)CC ZINC000521757573 333187023 /nfs/dbraw/zinc/18/70/23/333187023.db2.gz SCZWSKSWCKBXJL-INIZCTEOSA-N 2 2 292.423 1.996 20 30 CDEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)C[NH+](C)CC ZINC000521757573 333187025 /nfs/dbraw/zinc/18/70/25/333187025.db2.gz SCZWSKSWCKBXJL-INIZCTEOSA-N 2 2 292.423 1.996 20 30 CDEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)C[NH+](C)CC ZINC000521757573 333187027 /nfs/dbraw/zinc/18/70/27/333187027.db2.gz SCZWSKSWCKBXJL-INIZCTEOSA-N 2 2 292.423 1.996 20 30 CDEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245443209 334193796 /nfs/dbraw/zinc/19/37/96/334193796.db2.gz WYFOESYYPKLPLJ-HUUCEWRRSA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245443209 334193797 /nfs/dbraw/zinc/19/37/97/334193797.db2.gz WYFOESYYPKLPLJ-HUUCEWRRSA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245443209 334193798 /nfs/dbraw/zinc/19/37/98/334193798.db2.gz WYFOESYYPKLPLJ-HUUCEWRRSA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245443209 334193799 /nfs/dbraw/zinc/19/37/99/334193799.db2.gz WYFOESYYPKLPLJ-HUUCEWRRSA-N 2 2 294.443 1.411 20 30 CDEDLP N#CC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000581525387 336095107 /nfs/dbraw/zinc/09/51/07/336095107.db2.gz OOROMQJSFXAHPW-UHFFFAOYSA-N 2 2 256.353 1.944 20 30 CDEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000729682420 574820370 /nfs/dbraw/zinc/82/03/70/574820370.db2.gz QRTRKPJLZHGQDR-OAHLLOKOSA-N 2 2 272.396 1.830 20 30 CDEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000729682420 574820372 /nfs/dbraw/zinc/82/03/72/574820372.db2.gz QRTRKPJLZHGQDR-OAHLLOKOSA-N 2 2 272.396 1.830 20 30 CDEDLP C=C(C)CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000771651379 575601083 /nfs/dbraw/zinc/60/10/83/575601083.db2.gz IIYQNJJIWPVJCT-UHFFFAOYSA-N 2 2 289.379 1.732 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000753017678 577140380 /nfs/dbraw/zinc/14/03/80/577140380.db2.gz NSUABGAOFFEPSH-ZDUSSCGKSA-N 2 2 272.352 1.184 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000753017678 577140381 /nfs/dbraw/zinc/14/03/81/577140381.db2.gz NSUABGAOFFEPSH-ZDUSSCGKSA-N 2 2 272.352 1.184 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000957383616 613294658 /nfs/dbraw/zinc/29/46/58/613294658.db2.gz XOUIYCPFWCGMAW-CYBMUJFWSA-N 2 2 265.401 1.047 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000957383616 613294660 /nfs/dbraw/zinc/29/46/60/613294660.db2.gz XOUIYCPFWCGMAW-CYBMUJFWSA-N 2 2 265.401 1.047 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969974585 613372201 /nfs/dbraw/zinc/37/22/01/613372201.db2.gz CECJLUSDUUIUEL-JSGCOSHPSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969974585 613372202 /nfs/dbraw/zinc/37/22/02/613372202.db2.gz CECJLUSDUUIUEL-JSGCOSHPSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981409392 613384104 /nfs/dbraw/zinc/38/41/04/613384104.db2.gz GAWYMFZEOJCUMZ-VXGBXAGGSA-N 2 2 296.802 1.722 20 30 CDEDLP C=CCC[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948927045 613508478 /nfs/dbraw/zinc/50/84/78/613508478.db2.gz TWRMUKCCVSAQFA-AWEZNQCLSA-N 2 2 288.395 1.166 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967402074 613590507 /nfs/dbraw/zinc/59/05/07/613590507.db2.gz MERPIEBHOYSSSV-ZFWWWQNUSA-N 2 2 288.395 1.041 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967402074 613590510 /nfs/dbraw/zinc/59/05/10/613590510.db2.gz MERPIEBHOYSSSV-ZFWWWQNUSA-N 2 2 288.395 1.041 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000972448899 613628155 /nfs/dbraw/zinc/62/81/55/613628155.db2.gz FORACPYJNRCNGQ-KGLIPLIRSA-N 2 2 276.384 1.553 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000972448899 613628156 /nfs/dbraw/zinc/62/81/56/613628156.db2.gz FORACPYJNRCNGQ-KGLIPLIRSA-N 2 2 276.384 1.553 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971822280 613631852 /nfs/dbraw/zinc/63/18/52/613631852.db2.gz UWUYZLFFYXLUSU-KGLIPLIRSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971822280 613631856 /nfs/dbraw/zinc/63/18/56/613631856.db2.gz UWUYZLFFYXLUSU-KGLIPLIRSA-N 2 2 288.395 1.164 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000923554893 618342811 /nfs/dbraw/zinc/34/28/11/618342811.db2.gz RPVOQNFFKRGYNE-ZIAGYGMSSA-N 2 2 274.368 1.048 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000923554893 618342816 /nfs/dbraw/zinc/34/28/16/618342816.db2.gz RPVOQNFFKRGYNE-ZIAGYGMSSA-N 2 2 274.368 1.048 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477740 1162632211 /nfs/dbraw/zinc/63/22/11/1162632211.db2.gz JTFPBSOBRVTJOT-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131417572 1162902020 /nfs/dbraw/zinc/90/20/20/1162902020.db2.gz CYNQWGHVVBEHJW-UHFFFAOYSA-N 2 2 296.802 1.220 20 30 CDEDLP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001755285134 1159819843 /nfs/dbraw/zinc/81/98/43/1159819843.db2.gz FYWIRSMGHDJAMR-UHFFFAOYSA-N 2 2 276.384 1.050 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135136454 1164131495 /nfs/dbraw/zinc/13/14/95/1164131495.db2.gz IPYUROIAGAOSAD-KBPBESRZSA-N 2 2 276.384 1.169 20 30 CDEDLP CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000151545878 1178101972 /nfs/dbraw/zinc/10/19/72/1178101972.db2.gz OVOLIFJUJRHXBH-UHFFFAOYSA-N 2 2 276.384 1.113 20 30 CDEDLP CC#CC[N@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001753866066 1185371081 /nfs/dbraw/zinc/37/10/81/1185371081.db2.gz VBNLARAEOPDSHH-UHFFFAOYSA-N 2 2 290.411 1.385 20 30 CDEDLP CC#CC[N@@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001753866066 1185371088 /nfs/dbraw/zinc/37/10/88/1185371088.db2.gz VBNLARAEOPDSHH-UHFFFAOYSA-N 2 2 290.411 1.385 20 30 CDEDLP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001755040196 1185796408 /nfs/dbraw/zinc/79/64/08/1185796408.db2.gz MEDDUFVTUXSZHP-CQSZACIVSA-N 2 2 290.411 1.412 20 30 CDEDLP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001755040196 1185796412 /nfs/dbraw/zinc/79/64/12/1185796412.db2.gz MEDDUFVTUXSZHP-CQSZACIVSA-N 2 2 290.411 1.412 20 30 CDEDLP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001755283541 1185888691 /nfs/dbraw/zinc/88/86/91/1185888691.db2.gz UXIZXGBKOOTMMI-UHFFFAOYSA-N 2 2 290.411 1.060 20 30 CDEDLP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001755690549 1186038168 /nfs/dbraw/zinc/03/81/68/1186038168.db2.gz OMDXUCQFJSQTDF-RYUDHWBXSA-N 2 2 262.357 1.107 20 30 CDEDLP C#CC[NH2+]C1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001755862286 1186094700 /nfs/dbraw/zinc/09/47/00/1186094700.db2.gz DHGURSQQJJZDHW-HSBZDZAISA-N 2 2 274.368 1.046 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545412 1164092809 /nfs/dbraw/zinc/09/28/09/1164092809.db2.gz OODOQOXANMHYRZ-STQMWFEESA-N 2 2 278.400 1.791 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545412 1164092816 /nfs/dbraw/zinc/09/28/16/1164092816.db2.gz OODOQOXANMHYRZ-STQMWFEESA-N 2 2 278.400 1.791 20 30 CDEDLP C#CCOCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569909 730453583 /nfs/dbraw/zinc/45/35/83/730453583.db2.gz LGNNTDBOKRRMOX-INIZCTEOSA-N 2 2 269.348 1.864 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000884611019 730621325 /nfs/dbraw/zinc/62/13/25/730621325.db2.gz AXHHODJOCYVSLF-CYBMUJFWSA-N 2 2 271.368 1.560 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000884611019 730621331 /nfs/dbraw/zinc/62/13/31/730621331.db2.gz AXHHODJOCYVSLF-CYBMUJFWSA-N 2 2 271.368 1.560 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003975704 730859488 /nfs/dbraw/zinc/85/94/88/730859488.db2.gz NUNHXGQGXHSCAQ-UHFFFAOYSA-N 2 2 276.384 1.119 20 30 CDEDLP C#CC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001054896132 731023309 /nfs/dbraw/zinc/02/33/09/731023309.db2.gz QCXYTAUDBIVANC-STQMWFEESA-N 2 2 282.347 1.018 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001352 731027441 /nfs/dbraw/zinc/02/74/41/731027441.db2.gz VYRBNVFUSGTTDO-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001352 731027446 /nfs/dbraw/zinc/02/74/46/731027446.db2.gz VYRBNVFUSGTTDO-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041524906 731160874 /nfs/dbraw/zinc/16/08/74/731160874.db2.gz YZRDDYHRKMVDIN-INIZCTEOSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041524906 731160878 /nfs/dbraw/zinc/16/08/78/731160878.db2.gz YZRDDYHRKMVDIN-INIZCTEOSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413194 731190744 /nfs/dbraw/zinc/19/07/44/731190744.db2.gz FAGQGMLSFNRLDS-STQMWFEESA-N 2 2 288.395 1.548 20 30 CDEDLP CC(C)CCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303786340 731233748 /nfs/dbraw/zinc/23/37/48/731233748.db2.gz RGGLWISAGLTSCG-KBPBESRZSA-N 2 2 298.475 1.825 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(OC)ccc1F ZINC000883131335 731310726 /nfs/dbraw/zinc/31/07/26/731310726.db2.gz WPFXVFZGJQLEMP-UHFFFAOYSA-N 2 2 264.344 1.879 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(OC)ccc1F ZINC000883131335 731310728 /nfs/dbraw/zinc/31/07/28/731310728.db2.gz WPFXVFZGJQLEMP-UHFFFAOYSA-N 2 2 264.344 1.879 20 30 CDEDLP CN1c2ccccc2C(C)(C)C1=CC=[NH+]NC(N)=[NH2+] ZINC000864537419 731324371 /nfs/dbraw/zinc/32/43/71/731324371.db2.gz HTZOEMWITLWQLL-LZVGRGQCSA-N 2 2 257.341 1.767 20 30 CDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000985693690 731370921 /nfs/dbraw/zinc/37/09/21/731370921.db2.gz DEPWCESLDHVCGC-ZDUSSCGKSA-N 2 2 288.395 1.144 20 30 CDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000985693690 731370924 /nfs/dbraw/zinc/37/09/24/731370924.db2.gz DEPWCESLDHVCGC-ZDUSSCGKSA-N 2 2 288.395 1.144 20 30 CDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000985693690 731370928 /nfs/dbraw/zinc/37/09/28/731370928.db2.gz DEPWCESLDHVCGC-ZDUSSCGKSA-N 2 2 288.395 1.144 20 30 CDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000985693690 731370930 /nfs/dbraw/zinc/37/09/30/731370930.db2.gz DEPWCESLDHVCGC-ZDUSSCGKSA-N 2 2 288.395 1.144 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073079952 731442829 /nfs/dbraw/zinc/44/28/29/731442829.db2.gz ZPWRUIZOWXSYOF-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073079952 731442830 /nfs/dbraw/zinc/44/28/30/731442830.db2.gz ZPWRUIZOWXSYOF-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C#Cc1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000819357274 731523158 /nfs/dbraw/zinc/52/31/58/731523158.db2.gz ORLVQELPUBNZCU-MRXNPFEDSA-N 2 2 258.365 1.213 20 30 CDEDLP C#Cc1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000819357274 731523166 /nfs/dbraw/zinc/52/31/66/731523166.db2.gz ORLVQELPUBNZCU-MRXNPFEDSA-N 2 2 258.365 1.213 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCF ZINC001027944088 731590085 /nfs/dbraw/zinc/59/00/85/731590085.db2.gz TVHMYABWQILDHX-GJZGRUSLSA-N 2 2 295.402 1.024 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCF ZINC001027944088 731590091 /nfs/dbraw/zinc/59/00/91/731590091.db2.gz TVHMYABWQILDHX-GJZGRUSLSA-N 2 2 295.402 1.024 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCF ZINC001027944088 731590095 /nfs/dbraw/zinc/59/00/95/731590095.db2.gz TVHMYABWQILDHX-GJZGRUSLSA-N 2 2 295.402 1.024 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCF ZINC001027944088 731590100 /nfs/dbraw/zinc/59/01/00/731590100.db2.gz TVHMYABWQILDHX-GJZGRUSLSA-N 2 2 295.402 1.024 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687342 731590689 /nfs/dbraw/zinc/59/06/89/731590689.db2.gz MEGVABSMQWENCH-AWEZNQCLSA-N 2 2 298.390 1.962 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687342 731590694 /nfs/dbraw/zinc/59/06/94/731590694.db2.gz MEGVABSMQWENCH-AWEZNQCLSA-N 2 2 298.390 1.962 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042249573 731843569 /nfs/dbraw/zinc/84/35/69/731843569.db2.gz NCBCSFXLTYKJOR-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042249573 731843570 /nfs/dbraw/zinc/84/35/70/731843570.db2.gz NCBCSFXLTYKJOR-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044749322 731865093 /nfs/dbraw/zinc/86/50/93/731865093.db2.gz IVYPQBGNRYUFGM-NEPJUHHUSA-N 2 2 296.802 1.674 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989853780 731975738 /nfs/dbraw/zinc/97/57/38/731975738.db2.gz NNMZWXZVQMLOOY-OLZOCXBDSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001019139833 732033498 /nfs/dbraw/zinc/03/34/98/732033498.db2.gz XAECMMDGXGOYPO-LBPRGKRZSA-N 2 2 270.336 1.324 20 30 CDEDLP C#CC[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000717824537 732079047 /nfs/dbraw/zinc/07/90/47/732079047.db2.gz XRDXIPCUJNTHRZ-CQSZACIVSA-N 2 2 255.321 1.346 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027610201 732316750 /nfs/dbraw/zinc/31/67/50/732316750.db2.gz JSFUQNXEBSVFAJ-ZFWWWQNUSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027610201 732316757 /nfs/dbraw/zinc/31/67/57/732316757.db2.gz JSFUQNXEBSVFAJ-ZFWWWQNUSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001027610201 732316764 /nfs/dbraw/zinc/31/67/64/732316764.db2.gz JSFUQNXEBSVFAJ-ZFWWWQNUSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001027610201 732316773 /nfs/dbraw/zinc/31/67/73/732316773.db2.gz JSFUQNXEBSVFAJ-ZFWWWQNUSA-N 2 2 290.411 1.697 20 30 CDEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCS[C@H](C(C)C)C1 ZINC000261726453 732334662 /nfs/dbraw/zinc/33/46/62/732334662.db2.gz IYNIEHUUVHPYKJ-ZDUSSCGKSA-N 2 2 284.473 1.341 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/nfs/dbraw/zinc/97/19/53/931971953.db2.gz NECKFYXOFXFNQK-LBPRGKRZSA-N 2 2 273.808 1.081 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445084203 931971958 /nfs/dbraw/zinc/97/19/58/931971958.db2.gz NECKFYXOFXFNQK-LBPRGKRZSA-N 2 2 273.808 1.081 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114899791 935311578 /nfs/dbraw/zinc/31/15/78/935311578.db2.gz ZTZDZRUFCOXVIT-TTZDDIAXSA-N 2 2 288.395 1.457 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114899791 935311585 /nfs/dbraw/zinc/31/15/85/935311585.db2.gz ZTZDZRUFCOXVIT-TTZDDIAXSA-N 2 2 288.395 1.457 20 30 CDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158795172 938664125 /nfs/dbraw/zinc/66/41/25/938664125.db2.gz ZIWLNPRUYFGDFH-CQSZACIVSA-N 2 2 288.395 1.207 20 30 CDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158795172 938664126 /nfs/dbraw/zinc/66/41/26/938664126.db2.gz ZIWLNPRUYFGDFH-CQSZACIVSA-N 2 2 288.395 1.207 20 30 CDEDLP Cc1cnc(NCC[NH+]2CCC([NH3+])CC2)c(C#N)c1 ZINC001161867630 938937261 /nfs/dbraw/zinc/93/72/61/938937261.db2.gz UELMHEMCQRPZHX-UHFFFAOYSA-N 2 2 259.357 1.097 20 30 CDEDLP C[NH+]1CCC(C)(C[N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001208108879 940290726 /nfs/dbraw/zinc/29/07/26/940290726.db2.gz GUXUCJULWJYWHI-CYBMUJFWSA-N 2 2 280.437 1.992 20 30 CDEDLP C[NH+]1CCC(C)(C[N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001208108879 940290729 /nfs/dbraw/zinc/29/07/29/940290729.db2.gz GUXUCJULWJYWHI-CYBMUJFWSA-N 2 2 280.437 1.992 20 30 CDEDLP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001208108879 940290733 /nfs/dbraw/zinc/29/07/33/940290733.db2.gz GUXUCJULWJYWHI-CYBMUJFWSA-N 2 2 280.437 1.992 20 30 CDEDLP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001208108879 940290736 /nfs/dbraw/zinc/29/07/36/940290736.db2.gz GUXUCJULWJYWHI-CYBMUJFWSA-N 2 2 280.437 1.992 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217006130 940972282 /nfs/dbraw/zinc/97/22/82/940972282.db2.gz XHVJLPGQYBFRQH-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099589 941564736 /nfs/dbraw/zinc/56/47/36/941564736.db2.gz YRYGAZNRYJKBMM-ZDUSSCGKSA-N 2 2 262.357 1.040 20 30 CDEDLP C=CCC[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223042954 941653445 /nfs/dbraw/zinc/65/34/45/941653445.db2.gz KNBCXVNCCGVUGZ-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C=C(C)C[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223981201 941712031 /nfs/dbraw/zinc/71/20/31/941712031.db2.gz ODEFKXDRBDMWNM-UHFFFAOYSA-N 2 2 290.411 1.678 20 30 CDEDLP C=CCOc1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235063151 944037745 /nfs/dbraw/zinc/03/77/45/944037745.db2.gz OZDNSRFHUPOSMA-KRWDZBQOSA-N 2 2 287.407 1.389 20 30 CDEDLP C=CCOc1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235063151 944037752 /nfs/dbraw/zinc/03/77/52/944037752.db2.gz OZDNSRFHUPOSMA-KRWDZBQOSA-N 2 2 287.407 1.389 20 30 CDEDLP N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414581 944763786 /nfs/dbraw/zinc/76/37/86/944763786.db2.gz LPZNAOYVCLHXAJ-HIFRSBDPSA-N 2 2 271.364 1.838 20 30 CDEDLP N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414581 944763791 /nfs/dbraw/zinc/76/37/91/944763791.db2.gz LPZNAOYVCLHXAJ-HIFRSBDPSA-N 2 2 271.364 1.838 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001261500308 946147433 /nfs/dbraw/zinc/14/74/33/946147433.db2.gz NSINOCIHVKKAQV-VXGBXAGGSA-N 2 2 275.356 1.137 20 30 CDEDLP N#Cc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c2ccccc12 ZINC001249128902 949416440 /nfs/dbraw/zinc/41/64/40/949416440.db2.gz IMPXAAYOCVZEFF-LLVKDONJSA-N 2 2 293.330 1.590 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)cnn2COC)CC1 ZINC001326020478 954186769 /nfs/dbraw/zinc/18/67/69/954186769.db2.gz DGXJKBSBNXRHJR-UHFFFAOYSA-N 2 2 292.427 1.926 20 30 CDEDLP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001326760618 954532862 /nfs/dbraw/zinc/53/28/62/954532862.db2.gz YVQQYTIWYYGFKW-CQSZACIVSA-N 2 2 288.395 1.255 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001480807107 958016791 /nfs/dbraw/zinc/01/67/91/958016791.db2.gz ZMAFEJLEKYHXNA-GFCCVEGCSA-N 2 2 298.818 1.590 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369217676 959537237 /nfs/dbraw/zinc/53/72/37/959537237.db2.gz AJSWOQVDSWBUCM-LBPRGKRZSA-N 2 2 296.802 1.531 20 30 CDEDLP C#C[C@@H](CC)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335429191 959798417 /nfs/dbraw/zinc/79/84/17/959798417.db2.gz HECZUTNDLKVFGW-HOTGVXAUSA-N 2 2 260.381 1.481 20 30 CDEDLP C#C[C@@H](CC)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335429191 959798428 /nfs/dbraw/zinc/79/84/28/959798428.db2.gz HECZUTNDLKVFGW-HOTGVXAUSA-N 2 2 260.381 1.481 20 30 CDEDLP C#CC[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001340017125 962686385 /nfs/dbraw/zinc/68/63/85/962686385.db2.gz AQDTUAJXKJCQNT-AWEZNQCLSA-N 2 2 293.798 1.282 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1COC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001347037669 965342730 /nfs/dbraw/zinc/34/27/30/965342730.db2.gz BNLBFRKRQCTYCM-GJZGRUSLSA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1COC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001347037669 965342740 /nfs/dbraw/zinc/34/27/40/965342740.db2.gz BNLBFRKRQCTYCM-GJZGRUSLSA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001347037669 965342756 /nfs/dbraw/zinc/34/27/56/965342756.db2.gz BNLBFRKRQCTYCM-GJZGRUSLSA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001347037669 965342772 /nfs/dbraw/zinc/34/27/72/965342772.db2.gz BNLBFRKRQCTYCM-GJZGRUSLSA-N 2 2 278.396 1.500 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001353928885 968349371 /nfs/dbraw/zinc/34/93/71/968349371.db2.gz OVMWBJJWCGBJMY-CQSZACIVSA-N 2 2 261.369 1.998 20 30 CDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550516 968690917 /nfs/dbraw/zinc/69/09/17/968690917.db2.gz NHRWXGTUPMQESK-UHFFFAOYSA-N 2 2 296.802 1.510 20 30 CDEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848911370 969350372 /nfs/dbraw/zinc/35/03/72/969350372.db2.gz VCWNTIOSNYRGRT-ZFWWWQNUSA-N 2 2 250.386 1.631 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001378007324 975203576 /nfs/dbraw/zinc/20/35/76/975203576.db2.gz AQBKKFKNBIZLEG-UHFFFAOYSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001378007324 975203579 /nfs/dbraw/zinc/20/35/79/975203579.db2.gz AQBKKFKNBIZLEG-UHFFFAOYSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001392285076 977385070 /nfs/dbraw/zinc/38/50/70/977385070.db2.gz UKTLURIHZSTMAR-UHFFFAOYSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001392285076 977385076 /nfs/dbraw/zinc/38/50/76/977385076.db2.gz UKTLURIHZSTMAR-UHFFFAOYSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001392285076 977385083 /nfs/dbraw/zinc/38/50/83/977385083.db2.gz UKTLURIHZSTMAR-UHFFFAOYSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001392285076 977385087 /nfs/dbraw/zinc/38/50/87/977385087.db2.gz UKTLURIHZSTMAR-UHFFFAOYSA-N 2 2 287.835 1.613 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132874645 1163498507 /nfs/dbraw/zinc/49/85/07/1163498507.db2.gz KSWQJBRBWBUSAW-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132874645 1163498509 /nfs/dbraw/zinc/49/85/09/1163498509.db2.gz KSWQJBRBWBUSAW-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000589258952 342502126 /nfs/dbraw/zinc/50/21/26/342502126.db2.gz HJUWZTPAICNXLB-MLGOLLRUSA-N 2 2 273.380 1.664 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000589258952 342502127 /nfs/dbraw/zinc/50/21/27/342502127.db2.gz HJUWZTPAICNXLB-MLGOLLRUSA-N 2 2 273.380 1.664 20 30 CDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570824 342637170 /nfs/dbraw/zinc/63/71/70/342637170.db2.gz TVBIGUMZKFHUIU-RISCZKNCSA-N 2 2 277.343 1.554 20 30 CDEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cn3)C2)C1 ZINC000593992859 342861240 /nfs/dbraw/zinc/86/12/40/342861240.db2.gz FOMAAVSLSJFSHI-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cn3)C2)C1 ZINC000593992859 342861241 /nfs/dbraw/zinc/86/12/41/342861241.db2.gz FOMAAVSLSJFSHI-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000593992859 342861242 /nfs/dbraw/zinc/86/12/42/342861242.db2.gz FOMAAVSLSJFSHI-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000593992859 342861243 /nfs/dbraw/zinc/86/12/43/342861243.db2.gz FOMAAVSLSJFSHI-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCOCC1 ZINC000442789727 362090667 /nfs/dbraw/zinc/09/06/67/362090667.db2.gz ZAFORYSFTIVWDP-CHWSQXEVSA-N 2 2 251.374 1.379 20 30 CDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000595895630 343183187 /nfs/dbraw/zinc/18/31/87/343183187.db2.gz QWRKAFWKHZEQBI-HZPDHXFCSA-N 2 2 255.365 1.785 20 30 CDEDLP N#Cc1ccc(CC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000595895630 343183188 /nfs/dbraw/zinc/18/31/88/343183188.db2.gz QWRKAFWKHZEQBI-HZPDHXFCSA-N 2 2 255.365 1.785 20 30 CDEDLP N#CCC1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000601956444 344294579 /nfs/dbraw/zinc/29/45/79/344294579.db2.gz ARCXCKIBUPNLDF-KRWDZBQOSA-N 2 2 285.391 1.469 20 30 CDEDLP N#CCC1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000601956444 344294582 /nfs/dbraw/zinc/29/45/82/344294582.db2.gz ARCXCKIBUPNLDF-KRWDZBQOSA-N 2 2 285.391 1.469 20 30 CDEDLP CCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+](C)CCC#N ZINC000414109697 362921595 /nfs/dbraw/zinc/92/15/95/362921595.db2.gz VDKRDBWQZKWNHI-ZDUSSCGKSA-N 2 2 286.379 1.805 20 30 CDEDLP CCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+](C)CCC#N ZINC000414109697 362921601 /nfs/dbraw/zinc/92/16/01/362921601.db2.gz VDKRDBWQZKWNHI-ZDUSSCGKSA-N 2 2 286.379 1.805 20 30 CDEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000602515657 350117104 /nfs/dbraw/zinc/11/71/04/350117104.db2.gz AYXKZPHDEOHZBP-DOMZBBRYSA-N 2 2 256.353 1.670 20 30 CDEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000602515657 350117106 /nfs/dbraw/zinc/11/71/06/350117106.db2.gz AYXKZPHDEOHZBP-DOMZBBRYSA-N 2 2 256.353 1.670 20 30 CDEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(C#N)n2)CCCO1 ZINC000602635484 350135076 /nfs/dbraw/zinc/13/50/76/350135076.db2.gz ZBMLGGNDAQAQIL-CQSZACIVSA-N 2 2 288.395 1.544 20 30 CDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C#N)n2)CCCO1 ZINC000602635484 350135077 /nfs/dbraw/zinc/13/50/77/350135077.db2.gz ZBMLGGNDAQAQIL-CQSZACIVSA-N 2 2 288.395 1.544 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264090258 362963993 /nfs/dbraw/zinc/96/39/93/362963993.db2.gz KRYBBGUACPHOCL-AWEZNQCLSA-N 2 2 260.385 1.770 20 30 CDEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264110545 362969859 /nfs/dbraw/zinc/96/98/59/362969859.db2.gz OVJLXTJHZRDHLZ-AWEZNQCLSA-N 2 2 262.401 1.946 20 30 CDEDLP N#CCc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000570054969 363321968 /nfs/dbraw/zinc/32/19/68/363321968.db2.gz HTBGRLNMHIAKKO-UHFFFAOYSA-N 2 2 281.363 1.798 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000570082372 363344595 /nfs/dbraw/zinc/34/45/95/363344595.db2.gz YOSWSNJVLWSDED-MRXNPFEDSA-N 2 2 258.365 1.083 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000570082372 363344602 /nfs/dbraw/zinc/34/46/02/363344602.db2.gz YOSWSNJVLWSDED-MRXNPFEDSA-N 2 2 258.365 1.083 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000171719656 188755546 /nfs/dbraw/zinc/75/55/46/188755546.db2.gz IJGLULJYKUKNAF-UHFFFAOYSA-N 2 2 298.390 1.643 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361441226 368823433 /nfs/dbraw/zinc/82/34/33/368823433.db2.gz SZOZFSUWKBAUOK-ZDUSSCGKSA-N 2 2 281.400 1.686 20 30 CDEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C#N)s1 ZINC000347782406 372331146 /nfs/dbraw/zinc/33/11/46/372331146.db2.gz WEPVEVYFSUFZFH-GFCCVEGCSA-N 2 2 279.409 1.820 20 30 CDEDLP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000232314333 372962603 /nfs/dbraw/zinc/96/26/03/372962603.db2.gz UFWSRZJDSRSHBW-GJZGRUSLSA-N 2 2 258.369 1.613 20 30 CDEDLP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000232314333 372962607 /nfs/dbraw/zinc/96/26/07/372962607.db2.gz UFWSRZJDSRSHBW-GJZGRUSLSA-N 2 2 258.369 1.613 20 30 CDEDLP Cn1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1C#N ZINC000191216406 373465920 /nfs/dbraw/zinc/46/59/20/373465920.db2.gz VLRWAMZVHMSALF-UHFFFAOYSA-N 2 2 272.396 1.957 20 30 CDEDLP C=CC[C@H](CO)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000341267793 373516683 /nfs/dbraw/zinc/51/66/83/373516683.db2.gz JUMPSVDIMXSJEQ-ZDUSSCGKSA-N 2 2 259.353 1.917 20 30 CDEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(C#N)c1 ZINC000076898710 374235038 /nfs/dbraw/zinc/23/50/38/374235038.db2.gz GXZZLCGHMAZUJJ-AWEZNQCLSA-N 2 2 273.380 1.759 20 30 CDEDLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353380413 375331420 /nfs/dbraw/zinc/33/14/20/375331420.db2.gz BSOUSXXBJCMWTE-DZGCQCFKSA-N 2 2 259.353 1.058 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248135251 377203762 /nfs/dbraw/zinc/20/37/62/377203762.db2.gz OYUIAXZFAMCBOE-LSDHHAIUSA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248135251 377203768 /nfs/dbraw/zinc/20/37/68/377203768.db2.gz OYUIAXZFAMCBOE-LSDHHAIUSA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248135251 377203774 /nfs/dbraw/zinc/20/37/74/377203774.db2.gz OYUIAXZFAMCBOE-LSDHHAIUSA-N 2 2 292.427 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248135251 377203777 /nfs/dbraw/zinc/20/37/77/377203777.db2.gz OYUIAXZFAMCBOE-LSDHHAIUSA-N 2 2 292.427 1.165 20 30 CDEDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443988963 250070257 /nfs/dbraw/zinc/07/02/57/250070257.db2.gz NAYPZDRMNPEMOF-UHFFFAOYSA-N 2 2 261.369 1.271 20 30 CDEDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443988963 250070260 /nfs/dbraw/zinc/07/02/60/250070260.db2.gz NAYPZDRMNPEMOF-UHFFFAOYSA-N 2 2 261.369 1.271 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000104153820 390484897 /nfs/dbraw/zinc/48/48/97/390484897.db2.gz OGISVTDQVOBILN-GXTWGEPZSA-N 2 2 278.400 1.229 20 30 CDEDLP CN(C)C(=[NH+]C[C@@H](c1cccs1)[NH+](C)C)N(C)C ZINC000262200751 391042820 /nfs/dbraw/zinc/04/28/20/391042820.db2.gz DASXBPMOFVCUHZ-NSHDSACASA-N 2 2 268.430 1.830 20 30 CDEDLP CN(C)C(=[NH+]Cc1ccccc1Cn1cc[nH+]c1)N(C)C ZINC000262323094 391089854 /nfs/dbraw/zinc/08/98/54/391089854.db2.gz QPQHETXVYRKVIK-UHFFFAOYSA-N 2 2 285.395 1.911 20 30 CDEDLP C=CCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000338767043 391223062 /nfs/dbraw/zinc/22/30/62/391223062.db2.gz PAKHBRJUNSSWMR-UHFFFAOYSA-N 2 2 267.417 1.437 20 30 CDEDLP C=CCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000338767043 391223065 /nfs/dbraw/zinc/22/30/65/391223065.db2.gz PAKHBRJUNSSWMR-UHFFFAOYSA-N 2 2 267.417 1.437 20 30 CDEDLP C[N@H+]([C@H]1CC[C@H](C#N)C1)C1CC[NH+](CCO)CC1 ZINC000338975466 391236957 /nfs/dbraw/zinc/23/69/57/391236957.db2.gz SRFLVZDYHQGKOW-JSGCOSHPSA-N 2 2 251.374 1.067 20 30 CDEDLP C[N@@H+]([C@H]1CC[C@H](C#N)C1)C1CC[NH+](CCO)CC1 ZINC000338975466 391236959 /nfs/dbraw/zinc/23/69/59/391236959.db2.gz SRFLVZDYHQGKOW-JSGCOSHPSA-N 2 2 251.374 1.067 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331839261 391825968 /nfs/dbraw/zinc/82/59/68/391825968.db2.gz GCTKHSXZVUYPOJ-ZIAGYGMSSA-N 2 2 280.416 1.163 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331839261 391825970 /nfs/dbraw/zinc/82/59/70/391825970.db2.gz GCTKHSXZVUYPOJ-ZIAGYGMSSA-N 2 2 280.416 1.163 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252668447 140322193 /nfs/dbraw/zinc/32/21/93/140322193.db2.gz XDYNYADYOYMNFJ-HOTGVXAUSA-N 2 2 271.364 1.511 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252668447 140322195 /nfs/dbraw/zinc/32/21/95/140322195.db2.gz XDYNYADYOYMNFJ-HOTGVXAUSA-N 2 2 271.364 1.511 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000651273491 397902120 /nfs/dbraw/zinc/90/21/20/397902120.db2.gz OSSPGBXIIXXKOB-ZDUSSCGKSA-N 2 2 276.384 1.601 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655289 413341766 /nfs/dbraw/zinc/34/17/66/413341766.db2.gz LYIXYHPPIHSVLP-DZGCQCFKSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655289 413341776 /nfs/dbraw/zinc/34/17/76/413341776.db2.gz LYIXYHPPIHSVLP-DZGCQCFKSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655289 413341780 /nfs/dbraw/zinc/34/17/80/413341780.db2.gz LYIXYHPPIHSVLP-DZGCQCFKSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655289 413341786 /nfs/dbraw/zinc/34/17/86/413341786.db2.gz LYIXYHPPIHSVLP-DZGCQCFKSA-N 2 2 265.401 1.095 20 30 CDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000361941235 159022151 /nfs/dbraw/zinc/02/21/51/159022151.db2.gz DIEDEKNCXLPSCC-SFHVURJKSA-N 2 2 298.434 1.770 20 30 CDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000361941235 159022152 /nfs/dbraw/zinc/02/21/52/159022152.db2.gz DIEDEKNCXLPSCC-SFHVURJKSA-N 2 2 298.434 1.770 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000657375217 414242425 /nfs/dbraw/zinc/24/24/25/414242425.db2.gz FLLGMYZDHSGKQK-OLZOCXBDSA-N 2 2 263.389 1.427 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nn1 ZINC000657375217 414242432 /nfs/dbraw/zinc/24/24/32/414242432.db2.gz FLLGMYZDHSGKQK-OLZOCXBDSA-N 2 2 263.389 1.427 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)nn1 ZINC000657440482 414327427 /nfs/dbraw/zinc/32/74/27/414327427.db2.gz SUNIAFKZYKQNLX-LBPRGKRZSA-N 2 2 272.356 1.155 20 30 CDEDLP C[NH+]=C(NCC(F)F)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262026551 328144057 /nfs/dbraw/zinc/14/40/57/328144057.db2.gz ZVGYFHNPIYOKJA-WDEREUQCSA-N 2 2 285.342 1.607 20 30 CDEDLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000579369641 324171697 /nfs/dbraw/zinc/17/16/97/324171697.db2.gz IMEGJJIRNWGKMX-BBRMVZONSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000579369641 324171699 /nfs/dbraw/zinc/17/16/99/324171699.db2.gz IMEGJJIRNWGKMX-BBRMVZONSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000579369641 324171702 /nfs/dbraw/zinc/17/17/02/324171702.db2.gz IMEGJJIRNWGKMX-BBRMVZONSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000579369641 324171705 /nfs/dbraw/zinc/17/17/05/324171705.db2.gz IMEGJJIRNWGKMX-BBRMVZONSA-N 2 2 275.396 1.864 20 30 CDEDLP C=CCNC(NCCc1cn2c([nH+]1)CCCC2)=[NH+]C ZINC000263265859 330051167 /nfs/dbraw/zinc/05/11/67/330051167.db2.gz VBCFSDQTCSRTQD-UHFFFAOYSA-N 2 2 261.373 1.113 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422863543 330158118 /nfs/dbraw/zinc/15/81/18/330158118.db2.gz RXPMSRJOATXXIL-HIFRSBDPSA-N 3 2 251.418 1.744 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000328056222 330304422 /nfs/dbraw/zinc/30/44/22/330304422.db2.gz AQJKCBFCRLTVFL-AWEZNQCLSA-N 2 2 299.422 1.952 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000328056222 330304423 /nfs/dbraw/zinc/30/44/23/330304423.db2.gz AQJKCBFCRLTVFL-AWEZNQCLSA-N 2 2 299.422 1.952 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000453346922 331120019 /nfs/dbraw/zinc/12/00/19/331120019.db2.gz KKNCMOXZJDQFRU-NGFQHRJXSA-N 2 2 250.386 1.792 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000453346922 331120020 /nfs/dbraw/zinc/12/00/20/331120020.db2.gz KKNCMOXZJDQFRU-NGFQHRJXSA-N 2 2 250.386 1.792 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000490925184 332130040 /nfs/dbraw/zinc/13/00/40/332130040.db2.gz USJWAHOXJUDYLD-HNNXBMFYSA-N 2 2 285.391 1.115 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)nn1 ZINC000668028113 483536003 /nfs/dbraw/zinc/53/60/03/483536003.db2.gz YQQNDUSQPNYHHP-UHFFFAOYSA-N 2 2 289.427 1.914 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)nn1 ZINC000668028113 483536009 /nfs/dbraw/zinc/53/60/09/483536009.db2.gz YQQNDUSQPNYHHP-UHFFFAOYSA-N 2 2 289.427 1.914 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729921595 574828634 /nfs/dbraw/zinc/82/86/34/574828634.db2.gz JOCJUDVYTGPZCM-UHFFFAOYSA-N 2 2 277.412 1.030 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000730280161 574909197 /nfs/dbraw/zinc/90/91/97/574909197.db2.gz NKWNHIVZIWMUTM-ZFWWWQNUSA-N 2 2 288.395 1.041 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000730280161 574909200 /nfs/dbraw/zinc/90/92/00/574909200.db2.gz NKWNHIVZIWMUTM-ZFWWWQNUSA-N 2 2 288.395 1.041 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000768110981 576257658 /nfs/dbraw/zinc/25/76/58/576257658.db2.gz XOOKGXDWJSDKDF-HNNXBMFYSA-N 2 2 291.439 1.322 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000768110981 576257660 /nfs/dbraw/zinc/25/76/60/576257660.db2.gz XOOKGXDWJSDKDF-HNNXBMFYSA-N 2 2 291.439 1.322 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000768110981 576257662 /nfs/dbraw/zinc/25/76/62/576257662.db2.gz XOOKGXDWJSDKDF-HNNXBMFYSA-N 2 2 291.439 1.322 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000768110981 576257663 /nfs/dbraw/zinc/25/76/63/576257663.db2.gz XOOKGXDWJSDKDF-HNNXBMFYSA-N 2 2 291.439 1.322 20 30 CDEDLP C(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cccc2[nH+]ccn21 ZINC000753940744 576867822 /nfs/dbraw/zinc/86/78/22/576867822.db2.gz VIEBXBIKPCPOLG-BETUJISGSA-N 2 2 282.351 1.528 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000950063476 613294882 /nfs/dbraw/zinc/29/48/82/613294882.db2.gz JJIYGIPWXMUCAQ-MRXNPFEDSA-N 2 2 293.455 1.968 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000950063476 613294884 /nfs/dbraw/zinc/29/48/84/613294884.db2.gz JJIYGIPWXMUCAQ-MRXNPFEDSA-N 2 2 293.455 1.968 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977534473 613341426 /nfs/dbraw/zinc/34/14/26/613341426.db2.gz LSMUYWSOSHUJAS-AWEZNQCLSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977534473 613341427 /nfs/dbraw/zinc/34/14/27/613341427.db2.gz LSMUYWSOSHUJAS-AWEZNQCLSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943178406 613521295 /nfs/dbraw/zinc/52/12/95/613521295.db2.gz SUDHLNUREHEZAV-GXTWGEPZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943178406 613521298 /nfs/dbraw/zinc/52/12/98/613521298.db2.gz SUDHLNUREHEZAV-GXTWGEPZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947758115 613744385 /nfs/dbraw/zinc/74/43/85/613744385.db2.gz IMDSUXHQIKENEF-NWDGAFQWSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947758115 613744386 /nfs/dbraw/zinc/74/43/86/613744386.db2.gz IMDSUXHQIKENEF-NWDGAFQWSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000970130800 613863706 /nfs/dbraw/zinc/86/37/06/613863706.db2.gz WBRPRTBUOWSKOH-QWHCGFSZSA-N 2 2 262.357 1.211 20 30 CDEDLP N#CC1(c2ccccc2)CCC([NH2+]C2(C[NH3+])COC2)CC1 ZINC001170361802 1162341543 /nfs/dbraw/zinc/34/15/43/1162341543.db2.gz GQVSQBDJGBHHKV-UHFFFAOYSA-N 2 2 285.391 1.708 20 30 CDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471978 1162523278 /nfs/dbraw/zinc/52/32/78/1162523278.db2.gz JQGGAMYNXNJRLM-ZDUSSCGKSA-N 2 2 278.400 1.793 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130173259 1162564081 /nfs/dbraw/zinc/56/40/81/1162564081.db2.gz DXPBAIWLATYCLW-ZDUSSCGKSA-N 2 2 291.395 1.693 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404582 1162618471 /nfs/dbraw/zinc/61/84/71/1162618471.db2.gz KXPGRJHHSZULNV-CYBMUJFWSA-N 2 2 276.384 1.118 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001113570096 1162223751 /nfs/dbraw/zinc/22/37/51/1162223751.db2.gz IFPCKWJAQPPTTB-UHFFFAOYSA-N 2 2 253.390 1.049 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001113570096 1162223754 /nfs/dbraw/zinc/22/37/54/1162223754.db2.gz IFPCKWJAQPPTTB-UHFFFAOYSA-N 2 2 253.390 1.049 20 30 CDEDLP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001752004027 1184806616 /nfs/dbraw/zinc/80/66/16/1184806616.db2.gz MGAFEMJXSSYHFB-CQSZACIVSA-N 2 2 290.411 1.460 20 30 CDEDLP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001752004027 1184806624 /nfs/dbraw/zinc/80/66/24/1184806624.db2.gz 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CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC ZINC001037840176 735604746 /nfs/dbraw/zinc/60/47/46/735604746.db2.gz KGHJDDNHJPBVTF-KGLIPLIRSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CC ZINC001037895120 735614680 /nfs/dbraw/zinc/61/46/80/735614680.db2.gz FNEMHUGFTFFHHZ-LSDHHAIUSA-N 2 2 288.395 1.123 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206201240 912594955 /nfs/dbraw/zinc/59/49/55/912594955.db2.gz WLXYJQUQAAYIKK-QWHCGFSZSA-N 2 2 263.316 1.525 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206201240 912594964 /nfs/dbraw/zinc/59/49/64/912594964.db2.gz WLXYJQUQAAYIKK-QWHCGFSZSA-N 2 2 263.316 1.525 20 30 CDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174589068 913223623 /nfs/dbraw/zinc/22/36/23/913223623.db2.gz VJOHXXHNKJDHBH-OAHLLOKOSA-N 2 2 290.411 1.561 20 30 CDEDLP N#CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235981586 914482880 /nfs/dbraw/zinc/48/28/80/914482880.db2.gz RHHRPVKASQFTPJ-ZFWWWQNUSA-N 2 2 257.337 1.512 20 30 CDEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235981586 914482895 /nfs/dbraw/zinc/48/28/95/914482895.db2.gz RHHRPVKASQFTPJ-ZFWWWQNUSA-N 2 2 257.337 1.512 20 30 CDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1CC ZINC001087811025 905864949 /nfs/dbraw/zinc/86/49/49/905864949.db2.gz YDBNZJGFSRTDJF-DZGCQCFKSA-N 2 2 288.395 1.253 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1CC ZINC001087811025 905864958 /nfs/dbraw/zinc/86/49/58/905864958.db2.gz YDBNZJGFSRTDJF-DZGCQCFKSA-N 2 2 288.395 1.253 20 30 CDEDLP C[C@H](CCCC#N)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001172503678 911736882 /nfs/dbraw/zinc/73/68/82/911736882.db2.gz BIYRTVPWWXATAF-MRXNPFEDSA-N 2 2 294.443 1.019 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179258083 915785001 /nfs/dbraw/zinc/78/50/01/915785001.db2.gz LACUSACEKMQKKZ-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP CC#CC[NH2+]CCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001180158006 916186466 /nfs/dbraw/zinc/18/64/66/916186466.db2.gz CBNDLFDNHBCEBI-UHFFFAOYSA-N 2 2 290.411 1.550 20 30 CDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496199 918512425 /nfs/dbraw/zinc/51/24/25/918512425.db2.gz JJUOEJDOJTUWSQ-HUUCEWRRSA-N 2 2 288.395 1.294 20 30 CDEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001183595981 918568087 /nfs/dbraw/zinc/56/80/87/918568087.db2.gz BVGVSOHSUDLFFT-GDBMZVCRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185501975 919632972 /nfs/dbraw/zinc/63/29/72/919632972.db2.gz JYRIQYHJQBSRAB-KBPBESRZSA-N 2 2 290.411 1.223 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078733808 920423461 /nfs/dbraw/zinc/42/34/61/920423461.db2.gz MFIMUMSWPAYONK-ZIAGYGMSSA-N 2 2 288.395 1.545 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001078795374 920466745 /nfs/dbraw/zinc/46/67/45/920466745.db2.gz PTGXQIQZWGYROY-KBPBESRZSA-N 2 2 288.395 1.464 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449229 924217527 /nfs/dbraw/zinc/21/75/27/924217527.db2.gz QYYRGYAPTUNGSG-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449229 924217543 /nfs/dbraw/zinc/21/75/43/924217543.db2.gz QYYRGYAPTUNGSG-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080419420 924562680 /nfs/dbraw/zinc/56/26/80/924562680.db2.gz WSJUVKNQOUFBNX-YRGRVCCFSA-N 2 2 288.395 1.452 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080419420 924562684 /nfs/dbraw/zinc/56/26/84/924562684.db2.gz WSJUVKNQOUFBNX-YRGRVCCFSA-N 2 2 288.395 1.452 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC=C ZINC001085646863 926237412 /nfs/dbraw/zinc/23/74/12/926237412.db2.gz TXWRBLWSSURTTE-CVEARBPZSA-N 2 2 289.423 1.193 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC=C ZINC001085646863 926237424 /nfs/dbraw/zinc/23/74/24/926237424.db2.gz TXWRBLWSSURTTE-CVEARBPZSA-N 2 2 289.423 1.193 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC=C ZINC001085646863 926237425 /nfs/dbraw/zinc/23/74/25/926237425.db2.gz TXWRBLWSSURTTE-CVEARBPZSA-N 2 2 289.423 1.193 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC=C ZINC001085646863 926237436 /nfs/dbraw/zinc/23/74/36/926237436.db2.gz TXWRBLWSSURTTE-CVEARBPZSA-N 2 2 289.423 1.193 20 30 CDEDLP N#Cc1ccccc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205209 927852946 /nfs/dbraw/zinc/85/29/46/927852946.db2.gz VFTZGOGAAQIFCI-UHFFFAOYSA-N 2 2 297.362 1.120 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545408 929780350 /nfs/dbraw/zinc/78/03/50/929780350.db2.gz OODOQOXANMHYRZ-CHWSQXEVSA-N 2 2 278.400 1.791 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545408 929780355 /nfs/dbraw/zinc/78/03/55/929780355.db2.gz OODOQOXANMHYRZ-CHWSQXEVSA-N 2 2 278.400 1.791 20 30 CDEDLP COC(=O)c1ccc(C(=[NH2+])Nc2c[nH+]cn2C)cc1 ZINC001170985498 931150131 /nfs/dbraw/zinc/15/01/31/931150131.db2.gz UTIXTIRPOUSGCZ-UHFFFAOYSA-N 2 2 258.281 1.244 20 30 CDEDLP Cc1ccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)cc1C#N ZINC001275374305 931756456 /nfs/dbraw/zinc/75/64/56/931756456.db2.gz VMIRWUSMLHKNHL-UHFFFAOYSA-N 2 2 298.434 1.688 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1CC ZINC001037965978 935322691 /nfs/dbraw/zinc/32/26/91/935322691.db2.gz GGBLPZLEVPFVBZ-ZIAGYGMSSA-N 2 2 290.411 1.663 20 30 CDEDLP CC[NH+](CC)CCC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001258910394 935717428 /nfs/dbraw/zinc/71/74/28/935717428.db2.gz QYMOUSDHKKVQEO-ZIAGYGMSSA-N 2 2 252.406 1.294 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208692148 940371108 /nfs/dbraw/zinc/37/11/08/940371108.db2.gz VHJSWGVHKXFOKG-RTXFEEFZSA-N 2 2 287.835 1.516 20 30 CDEDLP C#CC[NH+]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952228 940410710 /nfs/dbraw/zinc/41/07/10/940410710.db2.gz HZJPEJHXXQOAEX-LJQANCHMSA-N 2 2 297.446 1.759 20 30 CDEDLP C#CC[NH+]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952228 940410712 /nfs/dbraw/zinc/41/07/12/940410712.db2.gz HZJPEJHXXQOAEX-LJQANCHMSA-N 2 2 297.446 1.759 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837307 940645210 /nfs/dbraw/zinc/64/52/10/940645210.db2.gz PIAKONKJEXDAKZ-ZDUSSCGKSA-N 2 2 276.384 1.499 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001210122972 940664542 /nfs/dbraw/zinc/66/45/42/940664542.db2.gz WZVCQZFLRODITE-OAHLLOKOSA-N 2 2 295.390 1.042 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855119 940911479 /nfs/dbraw/zinc/91/14/79/940911479.db2.gz MFKNMTCGPCWMJF-UMVBOHGHSA-N 2 2 290.411 1.601 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855119 940911481 /nfs/dbraw/zinc/91/14/81/940911481.db2.gz MFKNMTCGPCWMJF-UMVBOHGHSA-N 2 2 290.411 1.601 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216387545 940935979 /nfs/dbraw/zinc/93/59/79/940935979.db2.gz FVMNHZQZMQPXMF-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP N#Cc1c2ccccc2sc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218650081 941251625 /nfs/dbraw/zinc/25/16/25/941251625.db2.gz NPBKZHIEWBGYFU-QWRGUYRKSA-N 2 2 286.360 1.258 20 30 CDEDLP C=C1CC=C(F)C=C1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220797090 941473290 /nfs/dbraw/zinc/47/32/90/941473290.db2.gz IXOAUVJIDVSHIG-LBPRGKRZSA-N 2 2 276.315 1.103 20 30 CDEDLP N#Cc1cc(F)ccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222095755 941563890 /nfs/dbraw/zinc/56/38/90/941563890.db2.gz YZKDRJHRTOYANT-UHFFFAOYSA-N 2 2 288.370 1.225 20 30 CDEDLP N#Cc1cc(F)ccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222095755 941563893 /nfs/dbraw/zinc/56/38/93/941563893.db2.gz YZKDRJHRTOYANT-UHFFFAOYSA-N 2 2 288.370 1.225 20 30 CDEDLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1[nH]ccc1C#N ZINC001276840004 941635731 /nfs/dbraw/zinc/63/57/31/941635731.db2.gz HLKYJUMOZCCZNS-HOTGVXAUSA-N 2 2 287.411 1.097 20 30 CDEDLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1[nH]ccc1C#N ZINC001276840004 941635732 /nfs/dbraw/zinc/63/57/32/941635732.db2.gz HLKYJUMOZCCZNS-HOTGVXAUSA-N 2 2 287.411 1.097 20 30 CDEDLP C=CCCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438449 942620208 /nfs/dbraw/zinc/62/02/08/942620208.db2.gz PWTSLXZOSUNQSB-UHFFFAOYSA-N 2 2 276.384 1.430 20 30 CDEDLP Cc1cc(C#N)ccc1C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001233083361 943488121 /nfs/dbraw/zinc/48/81/21/943488121.db2.gz HKLOVSABTFIBEA-UHFFFAOYSA-N 2 2 284.407 1.298 20 30 CDEDLP CCc1cc(C#N)ccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235058843 944031859 /nfs/dbraw/zinc/03/18/59/944031859.db2.gz AKICVMIXBCCDCL-QGZVFWFLSA-N 2 2 284.407 1.258 20 30 CDEDLP CCc1cc(C#N)ccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235058843 944031866 /nfs/dbraw/zinc/03/18/66/944031866.db2.gz AKICVMIXBCCDCL-QGZVFWFLSA-N 2 2 284.407 1.258 20 30 CDEDLP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246533723 948235860 /nfs/dbraw/zinc/23/58/60/948235860.db2.gz NXSHQFPDERUQDK-CQSZACIVSA-N 2 2 293.411 1.459 20 30 CDEDLP C=CCOC[C@H](O)C[NH2+]CCSCc1[nH]c[nH+]c1C ZINC001252487889 951353649 /nfs/dbraw/zinc/35/36/49/951353649.db2.gz BCCAOLOSAIUNIL-GFCCVEGCSA-N 2 2 285.413 1.104 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001253210523 951808098 /nfs/dbraw/zinc/80/80/98/951808098.db2.gz OCRUDJTZROEZEG-NSHDSACASA-N 2 2 267.398 1.412 20 30 CDEDLP C=C(Cl)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001363869418 953944246 /nfs/dbraw/zinc/94/42/46/953944246.db2.gz JWIKTMMAEJJUMM-UHFFFAOYSA-N 2 2 281.791 1.071 20 30 CDEDLP C#CCOCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001319488839 958588055 /nfs/dbraw/zinc/58/80/55/958588055.db2.gz ACZGAVWQIHRVMT-UHFFFAOYSA-N 2 2 284.319 1.554 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001444131432 965741610 /nfs/dbraw/zinc/74/16/10/965741610.db2.gz HAIRVVVCXREMAH-AWEZNQCLSA-N 2 2 296.802 1.579 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001445109014 966102916 /nfs/dbraw/zinc/10/29/16/966102916.db2.gz KSJKWKMXDOQVDQ-YPMHNXCESA-N 2 2 296.802 1.579 20 30 CDEDLP C#CC[NH2+]CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001355424731 969155506 /nfs/dbraw/zinc/15/55/06/969155506.db2.gz AAPGIYZXSPORAU-UHFFFAOYSA-N 2 2 272.352 1.233 20 30 CDEDLP N#CCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718499 342453553 /nfs/dbraw/zinc/45/35/53/342453553.db2.gz IPDAQBFLNPMQDD-CQSZACIVSA-N 2 2 251.374 1.477 20 30 CDEDLP N#CCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718499 342453554 /nfs/dbraw/zinc/45/35/54/342453554.db2.gz IPDAQBFLNPMQDD-CQSZACIVSA-N 2 2 251.374 1.477 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000591734061 342644707 /nfs/dbraw/zinc/64/47/07/342644707.db2.gz ZILWYVQWEYLQOW-CQSZACIVSA-N 2 2 277.343 1.242 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000591734061 342644708 /nfs/dbraw/zinc/64/47/08/342644708.db2.gz ZILWYVQWEYLQOW-CQSZACIVSA-N 2 2 277.343 1.242 20 30 CDEDLP Cc1cc(N[C@H]2CC[N@H+](CC3CC3)C2)c(C#N)c[nH+]1 ZINC000591819764 342647382 /nfs/dbraw/zinc/64/73/82/342647382.db2.gz BUZQOCXFVWLMAW-AWEZNQCLSA-N 2 2 256.353 1.580 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C/C=C\CO)CC2)cc1 ZINC000594975314 342992588 /nfs/dbraw/zinc/99/25/88/342992588.db2.gz QQNFVJZRPDNGKW-UPHRSURJSA-N 2 2 285.391 1.661 20 30 CDEDLP N#Cc1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000596649249 343370813 /nfs/dbraw/zinc/37/08/13/343370813.db2.gz DDVSUSWSRFDHLW-SJORKVTESA-N 2 2 285.391 1.457 20 30 CDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000619717011 349867317 /nfs/dbraw/zinc/86/73/17/349867317.db2.gz LIOXGEWBWBDOAL-HNNXBMFYSA-N 2 2 296.411 1.148 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602545212 344462015 /nfs/dbraw/zinc/46/20/15/344462015.db2.gz NYWXOPIEHDFKQC-ZIAGYGMSSA-N 2 2 277.412 1.912 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000602545212 344462019 /nfs/dbraw/zinc/46/20/19/344462019.db2.gz NYWXOPIEHDFKQC-ZIAGYGMSSA-N 2 2 277.412 1.912 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000075134039 346104373 /nfs/dbraw/zinc/10/43/73/346104373.db2.gz PONKUMPSSTZBLG-HNNXBMFYSA-N 2 2 296.374 1.091 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000075134039 346104377 /nfs/dbraw/zinc/10/43/77/346104377.db2.gz PONKUMPSSTZBLG-HNNXBMFYSA-N 2 2 296.374 1.091 20 30 CDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449517222 362740557 /nfs/dbraw/zinc/74/05/57/362740557.db2.gz DXMFIDFDTRQPKN-SJORKVTESA-N 2 2 287.407 1.979 20 30 CDEDLP N#CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000566232284 370654126 /nfs/dbraw/zinc/65/41/26/370654126.db2.gz MCGXLPUXMDCJNX-HOTGVXAUSA-N 2 2 273.380 1.373 20 30 CDEDLP N#CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000566232284 370654129 /nfs/dbraw/zinc/65/41/29/370654129.db2.gz MCGXLPUXMDCJNX-HOTGVXAUSA-N 2 2 273.380 1.373 20 30 CDEDLP CNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000068467045 347564177 /nfs/dbraw/zinc/56/41/77/347564177.db2.gz NRSDNCHMBKDOSL-LLVKDONJSA-N 2 2 250.346 1.341 20 30 CDEDLP CCNC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264093662 362965466 /nfs/dbraw/zinc/96/54/66/362965466.db2.gz LWVXBBQBIGVKJY-CQSZACIVSA-N 2 2 289.427 1.121 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnc(OC)n2)CC1 ZINC000295185206 199394238 /nfs/dbraw/zinc/39/42/38/199394238.db2.gz NGCLMWQGXOVZNE-UHFFFAOYSA-N 2 2 262.357 1.225 20 30 CDEDLP CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182152807 357413004 /nfs/dbraw/zinc/41/30/04/357413004.db2.gz LTYQVMBUFVMVLE-MRXNPFEDSA-N 2 2 287.407 1.883 20 30 CDEDLP C=C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000271153643 359421453 /nfs/dbraw/zinc/42/14/53/359421453.db2.gz GAZSXCMBTGQVAE-UHFFFAOYSA-N 2 2 287.411 1.380 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157180421 360781298 /nfs/dbraw/zinc/78/12/98/360781298.db2.gz DDIGBRGOLOFRQA-GJZGRUSLSA-N 2 2 279.428 1.627 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157180421 360781300 /nfs/dbraw/zinc/78/13/00/360781300.db2.gz DDIGBRGOLOFRQA-GJZGRUSLSA-N 2 2 279.428 1.627 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860816 369470004 /nfs/dbraw/zinc/47/00/04/369470004.db2.gz XLXGNTBBDZRWTI-KGLIPLIRSA-N 2 2 267.417 1.483 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860816 369470009 /nfs/dbraw/zinc/47/00/09/369470009.db2.gz XLXGNTBBDZRWTI-KGLIPLIRSA-N 2 2 267.417 1.483 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860816 369470013 /nfs/dbraw/zinc/47/00/13/369470013.db2.gz XLXGNTBBDZRWTI-KGLIPLIRSA-N 2 2 267.417 1.483 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860816 369470017 /nfs/dbraw/zinc/47/00/17/369470017.db2.gz XLXGNTBBDZRWTI-KGLIPLIRSA-N 2 2 267.417 1.483 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000371690158 370391084 /nfs/dbraw/zinc/39/10/84/370391084.db2.gz WHHAJESLZWHPIG-AWEZNQCLSA-N 2 2 292.427 1.307 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000371690158 370391086 /nfs/dbraw/zinc/39/10/86/370391086.db2.gz WHHAJESLZWHPIG-AWEZNQCLSA-N 2 2 292.427 1.307 20 30 CDEDLP N#CCC[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000573437522 371541272 /nfs/dbraw/zinc/54/12/72/371541272.db2.gz DGMNPOMVEDQULC-UHFFFAOYSA-N 2 2 259.353 1.522 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247782689 377173674 /nfs/dbraw/zinc/17/36/74/377173674.db2.gz XVVBDJBXUKIFDG-CHWSQXEVSA-N 2 2 262.357 1.068 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247782689 377173684 /nfs/dbraw/zinc/17/36/84/377173684.db2.gz XVVBDJBXUKIFDG-CHWSQXEVSA-N 2 2 262.357 1.068 20 30 CDEDLP C=CC[C@@H]1[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CCCC1(C)C ZINC000571773055 377519964 /nfs/dbraw/zinc/51/99/64/377519964.db2.gz XTEXOFQZMIGYEP-HOTGVXAUSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@@H]1[NH+](C[C@@H](O)C[N@H+](C)CCOC)CCCC1(C)C ZINC000571773055 377519970 /nfs/dbraw/zinc/51/99/70/377519970.db2.gz XTEXOFQZMIGYEP-HOTGVXAUSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@@H]1[N@H+](C[C@@H](O)C[NH+](C)CCOC)CCCC1(C)C ZINC000571773055 377519972 /nfs/dbraw/zinc/51/99/72/377519972.db2.gz XTEXOFQZMIGYEP-HOTGVXAUSA-N 2 2 298.471 1.992 20 30 CDEDLP C=CC[C@@H]1[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CCCC1(C)C ZINC000571773055 377519977 /nfs/dbraw/zinc/51/99/77/377519977.db2.gz XTEXOFQZMIGYEP-HOTGVXAUSA-N 2 2 298.471 1.992 20 30 CDEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000075582783 377830026 /nfs/dbraw/zinc/83/00/26/377830026.db2.gz LNTHFZBRTYACJM-LLVKDONJSA-N 2 2 292.452 1.822 20 30 CDEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000075582783 377830032 /nfs/dbraw/zinc/83/00/32/377830032.db2.gz LNTHFZBRTYACJM-LLVKDONJSA-N 2 2 292.452 1.822 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000280455688 377952692 /nfs/dbraw/zinc/95/26/92/377952692.db2.gz GOWWKAAYLWYZIY-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000280455688 377952703 /nfs/dbraw/zinc/95/27/03/377952703.db2.gz GOWWKAAYLWYZIY-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000282128875 378023146 /nfs/dbraw/zinc/02/31/46/378023146.db2.gz YMGXFTNTRSQASR-CHWSQXEVSA-N 2 2 274.368 1.376 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000282128875 378023152 /nfs/dbraw/zinc/02/31/52/378023152.db2.gz YMGXFTNTRSQASR-CHWSQXEVSA-N 2 2 274.368 1.376 20 30 CDEDLP CN(C)C(=[NH+]C[C@H](c1ccco1)[NH+](C)C)N(C)C ZINC000104154362 390484747 /nfs/dbraw/zinc/48/47/47/390484747.db2.gz GUHODWILYROHPE-LLVKDONJSA-N 2 2 252.362 1.362 20 30 CDEDLP CCN(CC)C(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000104178237 390486513 /nfs/dbraw/zinc/48/65/13/390486513.db2.gz NCJNJUFZLDLDSW-UHFFFAOYSA-N 2 2 280.441 1.763 20 30 CDEDLP CCN(CC)C(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000104178237 390486517 /nfs/dbraw/zinc/48/65/17/390486517.db2.gz NCJNJUFZLDLDSW-UHFFFAOYSA-N 2 2 280.441 1.763 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266697073 391178680 /nfs/dbraw/zinc/17/86/80/391178680.db2.gz BVJGOUWXIJHDOY-GFCCVEGCSA-N 2 2 289.383 1.350 20 30 CDEDLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329727559 391760824 /nfs/dbraw/zinc/76/08/24/391760824.db2.gz CLCNSZTTYJUSNF-VXGBXAGGSA-N 2 2 287.367 1.904 20 30 CDEDLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329727559 391760829 /nfs/dbraw/zinc/76/08/29/391760829.db2.gz CLCNSZTTYJUSNF-VXGBXAGGSA-N 2 2 287.367 1.904 20 30 CDEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000359699282 158341805 /nfs/dbraw/zinc/34/18/05/158341805.db2.gz IBZKNENOXSDLLU-UHFFFAOYSA-N 2 2 254.337 1.933 20 30 CDEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)COC ZINC000661240374 413913547 /nfs/dbraw/zinc/91/35/47/413913547.db2.gz NSCPQSLKLZJMIT-KBPBESRZSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)COC ZINC000661240374 413913553 /nfs/dbraw/zinc/91/35/53/413913553.db2.gz NSCPQSLKLZJMIT-KBPBESRZSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)COC ZINC000661240374 413913560 /nfs/dbraw/zinc/91/35/60/413913560.db2.gz NSCPQSLKLZJMIT-KBPBESRZSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)COC ZINC000661240374 413913562 /nfs/dbraw/zinc/91/35/62/413913562.db2.gz NSCPQSLKLZJMIT-KBPBESRZSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CCOc1ccc(C[NH2+][C@@H](C)C[NH2+]C)cc1OC ZINC000663506659 414308146 /nfs/dbraw/zinc/30/81/46/414308146.db2.gz FOOFPRANRNELBK-LBPRGKRZSA-N 2 2 264.369 1.958 20 30 CDEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000661755595 414337688 /nfs/dbraw/zinc/33/76/88/414337688.db2.gz VMTHYBGVUSRUBA-UHFFFAOYSA-N 2 2 253.390 1.047 20 30 CDEDLP C=CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000661755595 414337692 /nfs/dbraw/zinc/33/76/92/414337692.db2.gz VMTHYBGVUSRUBA-UHFFFAOYSA-N 2 2 253.390 1.047 20 30 CDEDLP N#Cc1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ccc1F ZINC000517478497 260188562 /nfs/dbraw/zinc/18/85/62/260188562.db2.gz AHUUNZBEBSPDSZ-UHFFFAOYSA-N 2 2 285.326 1.743 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491814495 262087893 /nfs/dbraw/zinc/08/78/93/262087893.db2.gz DEDAWRNBVYYDHJ-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491814495 262087896 /nfs/dbraw/zinc/08/78/96/262087896.db2.gz DEDAWRNBVYYDHJ-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP CN(C(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C)C1CC1 ZINC000262229058 262765473 /nfs/dbraw/zinc/76/54/73/262765473.db2.gz LYCXZDSDPYCPGK-GFCCVEGCSA-N 2 2 266.414 1.760 20 30 CDEDLP C=CCOc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414956338 263160686 /nfs/dbraw/zinc/16/06/86/263160686.db2.gz ABUKUOPWUNETJU-OAHLLOKOSA-N 2 2 275.396 1.245 20 30 CDEDLP C[C@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000170914944 329072460 /nfs/dbraw/zinc/07/24/60/329072460.db2.gz YRQNZJYZBPWIRK-ZDUSSCGKSA-N 2 2 282.432 1.144 20 30 CDEDLP C[C@H]1CCCN(C(=[NH2+])NCC[N@H+]2CCOCC2(C)C)C1 ZINC000170914944 329072462 /nfs/dbraw/zinc/07/24/62/329072462.db2.gz YRQNZJYZBPWIRK-ZDUSSCGKSA-N 2 2 282.432 1.144 20 30 CDEDLP CC[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)NC(C)(C)C ZINC000171607513 329078011 /nfs/dbraw/zinc/07/80/11/329078011.db2.gz GJGTZIGWZCNJSB-UHFFFAOYSA-N 2 2 284.448 1.451 20 30 CDEDLP CC[NH+]=C(NCC[N@H+]1CCOCC1(C)C)NC(C)(C)C ZINC000171607513 329078012 /nfs/dbraw/zinc/07/80/12/329078012.db2.gz GJGTZIGWZCNJSB-UHFFFAOYSA-N 2 2 284.448 1.451 20 30 CDEDLP CC(C)(C#N)CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174875674 329164299 /nfs/dbraw/zinc/16/42/99/329164299.db2.gz OANYLQZROIPUJK-HNNXBMFYSA-N 2 2 279.428 1.970 20 30 CDEDLP CC(C)(C#N)CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174875674 329164300 /nfs/dbraw/zinc/16/43/00/329164300.db2.gz OANYLQZROIPUJK-HNNXBMFYSA-N 2 2 279.428 1.970 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177486393 329184667 /nfs/dbraw/zinc/18/46/67/329184667.db2.gz IMCYEDVBOLXEIY-CQSZACIVSA-N 2 2 297.443 1.156 20 30 CDEDLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459729753 331296338 /nfs/dbraw/zinc/29/63/38/331296338.db2.gz KSEJMXAWJLGWKT-UHFFFAOYSA-N 2 2 295.427 1.933 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000491209480 332166153 /nfs/dbraw/zinc/16/61/53/332166153.db2.gz HVDBBORGSLXGFH-ARFHVFGLSA-N 3 2 263.429 1.404 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000491209480 332166154 /nfs/dbraw/zinc/16/61/54/332166154.db2.gz HVDBBORGSLXGFH-ARFHVFGLSA-N 3 2 263.429 1.404 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000491209480 332166155 /nfs/dbraw/zinc/16/61/55/332166155.db2.gz HVDBBORGSLXGFH-ARFHVFGLSA-N 3 2 263.429 1.404 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000491209480 332166156 /nfs/dbraw/zinc/16/61/56/332166156.db2.gz HVDBBORGSLXGFH-ARFHVFGLSA-N 3 2 263.429 1.404 20 30 CDEDLP CC1CC[NH+](CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330319580 528226667 /nfs/dbraw/zinc/22/66/67/528226667.db2.gz RIXYOPTZOFJMJV-CYBMUJFWSA-N 2 2 276.384 1.886 20 30 CDEDLP C[N@H+](CCNC(=O)N1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000329846635 538697443 /nfs/dbraw/zinc/69/74/43/538697443.db2.gz PAHMPANYYYHFST-UHFFFAOYSA-N 2 2 291.399 1.487 20 30 CDEDLP C[N@@H+](CCNC(=O)N1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000329846635 538697448 /nfs/dbraw/zinc/69/74/48/538697448.db2.gz PAHMPANYYYHFST-UHFFFAOYSA-N 2 2 291.399 1.487 20 30 CDEDLP C#CCC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000743489905 576642366 /nfs/dbraw/zinc/64/23/66/576642366.db2.gz LVCOADOXGCDLLT-UHFFFAOYSA-N 2 2 288.395 1.267 20 30 CDEDLP N#Cc1ccc(C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000746651299 576787954 /nfs/dbraw/zinc/78/79/54/576787954.db2.gz RAIGUMGKHOAFFM-SFHVURJKSA-N 2 2 299.418 1.979 20 30 CDEDLP N#Cc1ccc(C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000746651299 576787955 /nfs/dbraw/zinc/78/79/55/576787955.db2.gz RAIGUMGKHOAFFM-SFHVURJKSA-N 2 2 299.418 1.979 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968596849 613013921 /nfs/dbraw/zinc/01/39/21/613013921.db2.gz NFWKPRKUQQJFRO-DOMZBBRYSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968596849 613013922 /nfs/dbraw/zinc/01/39/22/613013922.db2.gz NFWKPRKUQQJFRO-DOMZBBRYSA-N 2 2 288.395 1.111 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177800 613266213 /nfs/dbraw/zinc/26/62/13/613266213.db2.gz QHTMGRPHZQWOQN-UKRRQHHQSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177800 613266215 /nfs/dbraw/zinc/26/62/15/613266215.db2.gz QHTMGRPHZQWOQN-UKRRQHHQSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000950359426 613294480 /nfs/dbraw/zinc/29/44/80/613294480.db2.gz DOMZJQHNHGQTNL-UKRRQHHQSA-N 2 2 279.428 1.435 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000950359426 613294482 /nfs/dbraw/zinc/29/44/82/613294482.db2.gz DOMZJQHNHGQTNL-UKRRQHHQSA-N 2 2 279.428 1.435 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000949780369 613294963 /nfs/dbraw/zinc/29/49/63/613294963.db2.gz KKEXEORFDSATEZ-CQSZACIVSA-N 2 2 265.401 1.189 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000949780369 613294965 /nfs/dbraw/zinc/29/49/65/613294965.db2.gz KKEXEORFDSATEZ-CQSZACIVSA-N 2 2 265.401 1.189 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000950089090 613317296 /nfs/dbraw/zinc/31/72/96/613317296.db2.gz VNEIFRIXAWCYBF-CQSZACIVSA-N 2 2 267.417 1.293 20 30 CDEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969973389 613538070 /nfs/dbraw/zinc/53/80/70/613538070.db2.gz NAKXGJIXBYMGOG-LBPRGKRZSA-N 2 2 296.374 1.636 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960373562 613564243 /nfs/dbraw/zinc/56/42/43/613564243.db2.gz KRDCISDEBDQDNQ-NTASLKFISA-N 2 2 286.379 1.136 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960373562 613564244 /nfs/dbraw/zinc/56/42/44/613564244.db2.gz KRDCISDEBDQDNQ-NTASLKFISA-N 2 2 286.379 1.136 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960373562 613564245 /nfs/dbraw/zinc/56/42/45/613564245.db2.gz KRDCISDEBDQDNQ-NTASLKFISA-N 2 2 286.379 1.136 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960373562 613564246 /nfs/dbraw/zinc/56/42/46/613564246.db2.gz KRDCISDEBDQDNQ-NTASLKFISA-N 2 2 286.379 1.136 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595808 613590395 /nfs/dbraw/zinc/59/03/95/613590395.db2.gz DSOASKOHYIYRHY-WFASDCNBSA-N 2 2 288.395 1.111 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595808 613590399 /nfs/dbraw/zinc/59/03/99/613590399.db2.gz DSOASKOHYIYRHY-WFASDCNBSA-N 2 2 288.395 1.111 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000972375391 613632056 /nfs/dbraw/zinc/63/20/56/613632056.db2.gz CQSXZWWTLMYYBI-BFHYXJOUSA-N 2 2 288.395 1.242 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000972375391 613632058 /nfs/dbraw/zinc/63/20/58/613632058.db2.gz CQSXZWWTLMYYBI-BFHYXJOUSA-N 2 2 288.395 1.242 20 30 CDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926750648 617500425 /nfs/dbraw/zinc/50/04/25/617500425.db2.gz SZPUEDHGUVZCKM-STQMWFEESA-N 2 2 280.416 1.244 20 30 CDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926750648 617500428 /nfs/dbraw/zinc/50/04/28/617500428.db2.gz SZPUEDHGUVZCKM-STQMWFEESA-N 2 2 280.416 1.244 20 30 CDEDLP C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)[C@H]1CCCO1 ZINC000926210215 617544651 /nfs/dbraw/zinc/54/46/51/617544651.db2.gz LHFUDDFWAJMTAF-LDBYLJPUSA-N 2 2 292.423 1.399 20 30 CDEDLP C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)[C@H]1CCCO1 ZINC000926210215 617544655 /nfs/dbraw/zinc/54/46/55/617544655.db2.gz LHFUDDFWAJMTAF-LDBYLJPUSA-N 2 2 292.423 1.399 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000924986744 618544834 /nfs/dbraw/zinc/54/48/34/618544834.db2.gz MVBQEDNEXFTGRT-ZDUSSCGKSA-N 2 2 265.401 1.141 20 30 CDEDLP CSCCC[NH+]=C(NCCn1cc[nH+]c1)NC(C)(C)C ZINC000912509221 630049049 /nfs/dbraw/zinc/04/90/49/630049049.db2.gz XTXQGLRIERHFOR-UHFFFAOYSA-N 2 2 297.472 1.970 20 30 CDEDLP C=CCC[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001752303715 1184850131 /nfs/dbraw/zinc/85/01/31/1184850131.db2.gz GIUXKKSMIWLGBJ-UHFFFAOYSA-N 2 2 290.411 1.772 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001753136654 1185079127 /nfs/dbraw/zinc/07/91/27/1185079127.db2.gz YUIJIAXAQIWWFM-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001753136654 1185079130 /nfs/dbraw/zinc/07/91/30/1185079130.db2.gz YUIJIAXAQIWWFM-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001753136654 1185079133 /nfs/dbraw/zinc/07/91/33/1185079133.db2.gz YUIJIAXAQIWWFM-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001753136654 1185079137 /nfs/dbraw/zinc/07/91/37/1185079137.db2.gz YUIJIAXAQIWWFM-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C=C(Cl)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001753237252 1185127188 /nfs/dbraw/zinc/12/71/88/1185127188.db2.gz WZNFXVYJTRAJIJ-UHFFFAOYSA-N 2 2 298.818 1.807 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001753395248 1185184268 /nfs/dbraw/zinc/18/42/68/1185184268.db2.gz CHUWATXBAWSDBC-UHFFFAOYSA-N 2 2 265.401 1.239 20 30 CDEDLP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001753722782 1185317038 /nfs/dbraw/zinc/31/70/38/1185317038.db2.gz YAXCJLNMPLMJPL-CQSZACIVSA-N 2 2 292.427 1.755 20 30 CDEDLP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001755242815 1185871949 /nfs/dbraw/zinc/87/19/49/1185871949.db2.gz FLBNRCPKKIHUEG-VXGBXAGGSA-N 2 2 270.336 1.064 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001027667717 736392183 /nfs/dbraw/zinc/39/21/83/736392183.db2.gz VLTAIMWJSVMYDZ-OAHLLOKOSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001027667717 736392189 /nfs/dbraw/zinc/39/21/89/736392189.db2.gz VLTAIMWJSVMYDZ-OAHLLOKOSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001036108569 736646867 /nfs/dbraw/zinc/64/68/67/736646867.db2.gz YZECIEDMUJRQLG-KBPBESRZSA-N 2 2 298.390 1.961 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015689744 736702050 /nfs/dbraw/zinc/70/20/50/736702050.db2.gz IOVGKPRFXMASQQ-CHWSQXEVSA-N 2 2 286.379 1.043 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015689744 736702054 /nfs/dbraw/zinc/70/20/54/736702054.db2.gz IOVGKPRFXMASQQ-CHWSQXEVSA-N 2 2 286.379 1.043 20 30 CDEDLP C=CCC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000717424309 736825551 /nfs/dbraw/zinc/82/55/51/736825551.db2.gz OWJRICZEGAELKK-AWEZNQCLSA-N 2 2 270.417 1.091 20 30 CDEDLP C=CCC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000717424309 736825558 /nfs/dbraw/zinc/82/55/58/736825558.db2.gz OWJRICZEGAELKK-AWEZNQCLSA-N 2 2 270.417 1.091 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989677927 736876593 /nfs/dbraw/zinc/87/65/93/736876593.db2.gz AWCFKZVGKUHKQW-QWHCGFSZSA-N 2 2 276.384 1.118 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC ZINC001027940453 736968213 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C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001050772035 737275835 /nfs/dbraw/zinc/27/58/35/737275835.db2.gz IRTVGBAVEJOENW-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001020281201 737740801 /nfs/dbraw/zinc/74/08/01/737740801.db2.gz LRYKFVLJBQFROA-HDJSIYSDSA-N 2 2 290.411 1.740 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044749729 737749020 /nfs/dbraw/zinc/74/90/20/737749020.db2.gz LFDKKUMFBBNTKR-NEPJUHHUSA-N 2 2 262.357 1.107 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001044749323 737870470 /nfs/dbraw/zinc/87/04/70/737870470.db2.gz IVYPQBGNRYUFGM-NWDGAFQWSA-N 2 2 296.802 1.674 20 30 CDEDLP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000862548439 737950513 /nfs/dbraw/zinc/95/05/13/737950513.db2.gz GFLYZGOOQGEFSL-ZBFHGGJFSA-N 2 2 280.412 1.258 20 30 CDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039312598 738077598 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C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106712615 914170921 /nfs/dbraw/zinc/17/09/21/914170921.db2.gz DNKVQWOLGQTEPG-RBSFLKMASA-N 2 2 288.395 1.152 20 30 CDEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104836252 899558048 /nfs/dbraw/zinc/55/80/48/899558048.db2.gz COQVPMMASOEGGL-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177063723 914470793 /nfs/dbraw/zinc/47/07/93/914470793.db2.gz CAFWUOOEAFZKGI-HNNXBMFYSA-N 2 2 290.411 1.356 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563223 901029299 /nfs/dbraw/zinc/02/92/99/901029299.db2.gz KCMLQGPYQLCUTD-BXUZGUMPSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563223 901029309 /nfs/dbraw/zinc/02/93/09/901029309.db2.gz KCMLQGPYQLCUTD-BXUZGUMPSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563223 901029320 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C#CC[NH+]1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760193 910935103 /nfs/dbraw/zinc/93/51/03/910935103.db2.gz RUNSBTYLJVAUBY-MJGOQNOKSA-N 2 2 297.446 1.900 20 30 CDEDLP C#CC[NH+]1CCN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171760193 910935122 /nfs/dbraw/zinc/93/51/22/910935122.db2.gz RUNSBTYLJVAUBY-MJGOQNOKSA-N 2 2 297.446 1.900 20 30 CDEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001172311334 911554284 /nfs/dbraw/zinc/55/42/84/911554284.db2.gz BSIIVMHYIMAKLQ-HNNXBMFYSA-N 2 2 298.434 1.421 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180007124 916122548 /nfs/dbraw/zinc/12/25/48/916122548.db2.gz PRHHCGLNNRXYTH-KBPBESRZSA-N 2 2 290.411 1.806 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC000996360200 918252847 /nfs/dbraw/zinc/25/28/47/918252847.db2.gz IEXZDMSNHGGCDA-KGLIPLIRSA-N 2 2 290.411 1.847 20 30 CDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001128986130 922737107 /nfs/dbraw/zinc/73/71/07/922737107.db2.gz IMYOKDGNRCFUPQ-UHFFFAOYSA-N 2 2 297.362 1.120 20 30 CDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001128986130 922737126 /nfs/dbraw/zinc/73/71/26/922737126.db2.gz IMYOKDGNRCFUPQ-UHFFFAOYSA-N 2 2 297.362 1.120 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001084691329 925360757 /nfs/dbraw/zinc/36/07/57/925360757.db2.gz MSJMPGJSSZPVGI-RBSFLKMASA-N 2 2 286.379 1.000 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001084691329 925360764 /nfs/dbraw/zinc/36/07/64/925360764.db2.gz MSJMPGJSSZPVGI-RBSFLKMASA-N 2 2 286.379 1.000 20 30 CDEDLP Cc1cc(CC#N)ccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075794 927694239 /nfs/dbraw/zinc/69/42/39/927694239.db2.gz XYYDSNHAPCPFFP-CYBMUJFWSA-N 2 2 270.336 1.109 20 30 CDEDLP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001169122813 927728743 /nfs/dbraw/zinc/72/87/43/927728743.db2.gz DXWPYRLUDFSWOR-RVMXOQNASA-N 2 2 269.389 1.121 20 30 CDEDLP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NO ZINC001169122813 927728746 /nfs/dbraw/zinc/72/87/46/927728746.db2.gz DXWPYRLUDFSWOR-RVMXOQNASA-N 2 2 269.389 1.121 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169211607 927810881 /nfs/dbraw/zinc/81/08/81/927810881.db2.gz HTHNIOMKVSIQKF-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205566 927853439 /nfs/dbraw/zinc/85/34/39/927853439.db2.gz ZOUOOOOOVGMLGR-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136051588 930624512 /nfs/dbraw/zinc/62/45/12/930624512.db2.gz CWQQCEPURSDYBB-OLZOCXBDSA-N 2 2 278.400 1.412 20 30 CDEDLP CCCCCCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500285 937448328 /nfs/dbraw/zinc/44/83/28/937448328.db2.gz IUWYXWJFQQWWEG-UHFFFAOYSA-N 2 2 266.389 1.559 20 30 CDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154314912 937529834 /nfs/dbraw/zinc/52/98/34/937529834.db2.gz IQQRTUUZBYNEIE-CQSZACIVSA-N 2 2 298.390 1.798 20 30 CDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154314912 937529835 /nfs/dbraw/zinc/52/98/35/937529835.db2.gz IQQRTUUZBYNEIE-CQSZACIVSA-N 2 2 298.390 1.798 20 30 CDEDLP C[C@@H](Cc1cccc(C#N)c1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001171183485 931824360 /nfs/dbraw/zinc/82/43/60/931824360.db2.gz FHLPJYIRZZARKQ-ZDUSSCGKSA-N 2 2 285.395 1.261 20 30 CDEDLP N#CCOc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000846878780 932155344 /nfs/dbraw/zinc/15/53/44/932155344.db2.gz TUSZBAMFKFMXDO-UHFFFAOYSA-N 2 2 297.362 1.634 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001490835803 933778293 /nfs/dbraw/zinc/77/82/93/933778293.db2.gz RYWDMVRVCGPXBB-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015622279 935576323 /nfs/dbraw/zinc/57/63/23/935576323.db2.gz DYMCKHPHICKIMM-AWEZNQCLSA-N 2 2 291.395 1.721 20 30 CDEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046430422 935950952 /nfs/dbraw/zinc/95/09/52/935950952.db2.gz AXUUMAALAFYLOU-BBRMVZONSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046430422 935950954 /nfs/dbraw/zinc/95/09/54/935950954.db2.gz AXUUMAALAFYLOU-BBRMVZONSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446968 936146145 /nfs/dbraw/zinc/14/61/45/936146145.db2.gz KWCJPMYAOHOUGC-UONOGXRCSA-N 2 2 286.379 1.041 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446968 936146147 /nfs/dbraw/zinc/14/61/47/936146147.db2.gz KWCJPMYAOHOUGC-UONOGXRCSA-N 2 2 286.379 1.041 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158062205 938579039 /nfs/dbraw/zinc/57/90/39/938579039.db2.gz PVKMVEVDLDKUPO-UHFFFAOYSA-N 2 2 272.352 1.538 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159536847 938739000 /nfs/dbraw/zinc/73/90/00/938739000.db2.gz ADGJXZAFGXHYLP-ZDUSSCGKSA-N 2 2 278.400 1.793 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159536847 938739001 /nfs/dbraw/zinc/73/90/01/938739001.db2.gz ADGJXZAFGXHYLP-ZDUSSCGKSA-N 2 2 278.400 1.793 20 30 CDEDLP Cc1[nH+]c2c(n1-c1nccc(C)c1C#N)CC[NH2+]CC2 ZINC001165352372 939550379 /nfs/dbraw/zinc/55/03/79/939550379.db2.gz RNZUONHKOHTRKP-UHFFFAOYSA-N 2 2 267.336 1.444 20 30 CDEDLP N#CC[C@@H]1CCCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001166740796 939634186 /nfs/dbraw/zinc/63/41/86/939634186.db2.gz DQIMZKRZGDRCGT-AWEZNQCLSA-N 2 2 285.395 1.621 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351070 940463789 /nfs/dbraw/zinc/46/37/89/940463789.db2.gz KNPOXCMSEGQCGK-UMVBOHGHSA-N 2 2 288.395 1.048 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351070 940463791 /nfs/dbraw/zinc/46/37/91/940463791.db2.gz KNPOXCMSEGQCGK-UMVBOHGHSA-N 2 2 288.395 1.048 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351070 940463793 /nfs/dbraw/zinc/46/37/93/940463793.db2.gz KNPOXCMSEGQCGK-UMVBOHGHSA-N 2 2 288.395 1.048 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351070 940463795 /nfs/dbraw/zinc/46/37/95/940463795.db2.gz KNPOXCMSEGQCGK-UMVBOHGHSA-N 2 2 288.395 1.048 20 30 CDEDLP N#Cc1c2ccccc2sc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218647757 941251259 /nfs/dbraw/zinc/25/12/59/941251259.db2.gz AKKWRMYIJYRIBH-JTQLQIEISA-N 2 2 274.349 1.388 20 30 CDEDLP C#Cc1cccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222507190 941605435 /nfs/dbraw/zinc/60/54/35/941605435.db2.gz QACQNMPKNCARPU-IRXDYDNUSA-N 2 2 269.392 1.194 20 30 CDEDLP C#Cc1cccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222507190 941605436 /nfs/dbraw/zinc/60/54/36/941605436.db2.gz QACQNMPKNCARPU-IRXDYDNUSA-N 2 2 269.392 1.194 20 30 CDEDLP CC#CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223980273 941711932 /nfs/dbraw/zinc/71/19/32/941711932.db2.gz FOLCGTBCNBDNFQ-UHFFFAOYSA-N 2 2 288.395 1.125 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229301724 942447043 /nfs/dbraw/zinc/44/70/43/942447043.db2.gz WEESJLBRIDWNFV-ZIAGYGMSSA-N 2 2 290.411 1.935 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001230010427 942567187 /nfs/dbraw/zinc/56/71/87/942567187.db2.gz JYUHMCTYNGDZGH-HUUCEWRRSA-N 2 2 288.395 1.003 20 30 CDEDLP N#CCCN1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232013692 943098668 /nfs/dbraw/zinc/09/86/68/943098668.db2.gz DDFGHOVXTMSJFU-UHFFFAOYSA-N 2 2 269.352 1.594 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001263096263 943743285 /nfs/dbraw/zinc/74/32/85/943743285.db2.gz MCZQKVWCBXRELA-QWHCGFSZSA-N 2 2 276.384 1.799 20 30 CDEDLP Cc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC001254669316 947584269 /nfs/dbraw/zinc/58/42/69/947584269.db2.gz QTDIDCUCNHUBSU-HUUCEWRRSA-N 2 2 285.395 1.908 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256630183 948373178 /nfs/dbraw/zinc/37/31/78/948373178.db2.gz OCOFVLIHLBRAQG-PBWFPOADSA-N 2 2 291.395 1.390 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256630183 948373182 /nfs/dbraw/zinc/37/31/82/948373182.db2.gz OCOFVLIHLBRAQG-PBWFPOADSA-N 2 2 291.395 1.390 20 30 CDEDLP C=CC[C@@H]([NH2+]C1CCC([NH+]2CCOCC2)CC1)C(=O)OC ZINC001256684586 948396973 /nfs/dbraw/zinc/39/69/73/948396973.db2.gz UMUFPZVFSFELRM-YMAMQOFZSA-N 2 2 296.411 1.337 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001253188434 951787414 /nfs/dbraw/zinc/78/74/14/951787414.db2.gz YMMUXNDYTSZCAO-XQLPTFJDSA-N 2 2 265.401 1.456 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001253188434 951787422 /nfs/dbraw/zinc/78/74/22/951787422.db2.gz YMMUXNDYTSZCAO-XQLPTFJDSA-N 2 2 265.401 1.456 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001368177091 958687713 /nfs/dbraw/zinc/68/77/13/958687713.db2.gz LSDUGTPSFJBZST-GXTWGEPZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001368177091 958687720 /nfs/dbraw/zinc/68/77/20/958687720.db2.gz LSDUGTPSFJBZST-GXTWGEPZSA-N 2 2 287.835 1.660 20 30 CDEDLP C#CC[NH2+]CC(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC001340075591 962727294 /nfs/dbraw/zinc/72/72/94/962727294.db2.gz MZUFQNLKANDIPY-UHFFFAOYSA-N 2 2 271.364 1.574 20 30 CDEDLP C#CC[NH2+]CC(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC001340075591 962727307 /nfs/dbraw/zinc/72/73/07/962727307.db2.gz MZUFQNLKANDIPY-UHFFFAOYSA-N 2 2 271.364 1.574 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001503290652 974818801 /nfs/dbraw/zinc/81/88/01/974818801.db2.gz NYGAHQMPLRDVPO-ZDUSSCGKSA-N 2 2 291.395 1.693 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001377555963 975073534 /nfs/dbraw/zinc/07/35/34/975073534.db2.gz UOMRCQNYVWYIBW-UHFFFAOYSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001377555963 975073539 /nfs/dbraw/zinc/07/35/39/975073539.db2.gz UOMRCQNYVWYIBW-UHFFFAOYSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001406972755 976498415 /nfs/dbraw/zinc/49/84/15/976498415.db2.gz CNDAZPMXVKNNHL-LBPRGKRZSA-N 2 2 296.802 1.825 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001403683025 977139472 /nfs/dbraw/zinc/13/94/72/977139472.db2.gz FYMSJVCPRGPAPO-UHFFFAOYSA-N 2 2 289.851 1.765 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001403683025 977139460 /nfs/dbraw/zinc/13/94/60/977139460.db2.gz FYMSJVCPRGPAPO-UHFFFAOYSA-N 2 2 289.851 1.765 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001403683025 977139465 /nfs/dbraw/zinc/13/94/65/977139465.db2.gz FYMSJVCPRGPAPO-UHFFFAOYSA-N 2 2 289.851 1.765 20 30 CDEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195615 1163189450 /nfs/dbraw/zinc/18/94/50/1163189450.db2.gz RJTOFJZGQIETCS-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195615 1163189455 /nfs/dbraw/zinc/18/94/55/1163189455.db2.gz RJTOFJZGQIETCS-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457726 1163300845 /nfs/dbraw/zinc/30/08/45/1163300845.db2.gz MIYFYRSUBNPBIN-UONOGXRCSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457726 1163300850 /nfs/dbraw/zinc/30/08/50/1163300850.db2.gz MIYFYRSUBNPBIN-UONOGXRCSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457725 1163301455 /nfs/dbraw/zinc/30/14/55/1163301455.db2.gz MIYFYRSUBNPBIN-KGLIPLIRSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457725 1163301460 /nfs/dbraw/zinc/30/14/60/1163301460.db2.gz MIYFYRSUBNPBIN-KGLIPLIRSA-N 2 2 290.411 1.508 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000598592899 343838861 /nfs/dbraw/zinc/83/88/61/343838861.db2.gz MYGUWDRNTKJNDG-AWEZNQCLSA-N 2 2 276.384 1.821 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000598724061 343885325 /nfs/dbraw/zinc/88/53/25/343885325.db2.gz LULFGGSLSABVGA-NWDGAFQWSA-N 2 2 262.357 1.088 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000598728213 343886820 /nfs/dbraw/zinc/88/68/20/343886820.db2.gz PEZJJAHPEDNROH-ZDUSSCGKSA-N 2 2 276.384 1.610 20 30 CDEDLP C[C@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+]1C1CC1 ZINC000610813455 346444929 /nfs/dbraw/zinc/44/49/29/346444929.db2.gz HSVYULAOSXTYSS-JSGCOSHPSA-N 2 2 262.401 1.189 20 30 CDEDLP C[C@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+]1C1CC1 ZINC000610813455 346444932 /nfs/dbraw/zinc/44/49/32/346444932.db2.gz HSVYULAOSXTYSS-JSGCOSHPSA-N 2 2 262.401 1.189 20 30 CDEDLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000611432039 346782373 /nfs/dbraw/zinc/78/23/73/346782373.db2.gz JLBUXRDUHLQJKZ-MRXNPFEDSA-N 2 2 289.427 1.747 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CO)CC3)CC2)cc1 ZINC000305772606 350092062 /nfs/dbraw/zinc/09/20/62/350092062.db2.gz IDDHEOQXOMOFSA-UHFFFAOYSA-N 2 2 299.418 1.885 20 30 CDEDLP C[NH+]=C(NCCCn1cc[nH+]c1)NCc1ccco1 ZINC000264092110 362965884 /nfs/dbraw/zinc/96/58/84/362965884.db2.gz XBGUDSYKLGHCLS-UHFFFAOYSA-N 2 2 261.329 1.231 20 30 CDEDLP Cc1ccc(C#N)c(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000161718144 188542519 /nfs/dbraw/zinc/54/25/19/188542519.db2.gz IRSSBNSIVIMODV-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCO)CC2)cc1 ZINC000271836492 191357400 /nfs/dbraw/zinc/35/74/00/191357400.db2.gz FZPMPZPBVPRKMX-UHFFFAOYSA-N 2 2 273.380 1.495 20 30 CDEDLP C=CCCCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000644623919 366274940 /nfs/dbraw/zinc/27/49/40/366274940.db2.gz HGDZHZLUUIUCNY-KKUMJFAQSA-N 2 2 270.417 1.402 20 30 CDEDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000584455515 357670330 /nfs/dbraw/zinc/67/03/30/357670330.db2.gz KZQCNHPSYHZAJC-UHFFFAOYSA-N 2 2 296.378 1.051 20 30 CDEDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000569501150 358519109 /nfs/dbraw/zinc/51/91/09/358519109.db2.gz MJVUVLDWXQBWHS-ZIAGYGMSSA-N 2 2 265.401 1.504 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000266109737 359338858 /nfs/dbraw/zinc/33/88/58/359338858.db2.gz MGSDLOQTVYCFSE-CQSZACIVSA-N 2 2 279.428 1.649 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)[nH]2)CC1 ZINC000272742036 359468166 /nfs/dbraw/zinc/46/81/66/359468166.db2.gz LIEFOHHMBMEBCW-UHFFFAOYSA-N 2 2 291.395 1.931 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000583572844 361030362 /nfs/dbraw/zinc/03/03/62/361030362.db2.gz CSDOZXMOYCACIN-IIAWOOMASA-N 2 2 277.412 1.864 20 30 CDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000583572844 361030367 /nfs/dbraw/zinc/03/03/67/361030367.db2.gz CSDOZXMOYCACIN-IIAWOOMASA-N 2 2 277.412 1.864 20 30 CDEDLP C#CC[NH+](CC#C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491340315 364985073 /nfs/dbraw/zinc/98/50/73/364985073.db2.gz WZFZANQUDMDTIS-UHFFFAOYSA-N 2 2 282.387 1.587 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000564843714 370273680 /nfs/dbraw/zinc/27/36/80/370273680.db2.gz DODBVGBZQWPSNA-LLVKDONJSA-N 2 2 266.307 1.540 20 30 CDEDLP C=C(C)C[NH+]1CCC(NCc2c[nH+]c(C)n2C)CC1 ZINC000568533640 371227365 /nfs/dbraw/zinc/22/73/65/371227365.db2.gz VXGUBWAQXPWIBL-UHFFFAOYSA-N 2 2 262.401 1.859 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000328792163 375971492 /nfs/dbraw/zinc/97/14/92/375971492.db2.gz ADLOQSKPMWFGBQ-GFCCVEGCSA-N 2 2 288.351 1.360 20 30 CDEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000328792163 375971499 /nfs/dbraw/zinc/97/14/99/375971499.db2.gz ADLOQSKPMWFGBQ-GFCCVEGCSA-N 2 2 288.351 1.360 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000266888543 378311362 /nfs/dbraw/zinc/31/13/62/378311362.db2.gz CCPSBPKWHGERSD-UHFFFAOYSA-N 2 2 281.363 1.614 20 30 CDEDLP COCC[NH2+]CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423328594 274036625 /nfs/dbraw/zinc/03/66/25/274036625.db2.gz KXVXMSTXIGHRBZ-HNNXBMFYSA-N 2 2 259.353 1.371 20 30 CDEDLP C[N@H+]([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](CCO)CC1 ZINC000338975468 391237006 /nfs/dbraw/zinc/23/70/06/391237006.db2.gz SRFLVZDYHQGKOW-TZMCWYRMSA-N 2 2 251.374 1.067 20 30 CDEDLP C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](CCO)CC1 ZINC000338975468 391237010 /nfs/dbraw/zinc/23/70/10/391237010.db2.gz SRFLVZDYHQGKOW-TZMCWYRMSA-N 2 2 251.374 1.067 20 30 CDEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC#N)[C@@H](C)C1 ZINC000411554104 391479624 /nfs/dbraw/zinc/47/96/24/391479624.db2.gz SQHQGLGSNHBMEA-UONOGXRCSA-N 2 2 253.390 1.627 20 30 CDEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC#N)[C@@H](C)C1 ZINC000411554104 391479626 /nfs/dbraw/zinc/47/96/26/391479626.db2.gz SQHQGLGSNHBMEA-UONOGXRCSA-N 2 2 253.390 1.627 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166348680 391555897 /nfs/dbraw/zinc/55/58/97/391555897.db2.gz HQEJWGOJOHJMIF-HNNXBMFYSA-N 2 2 275.396 1.839 20 30 CDEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N(C)C ZINC000262576208 391797105 /nfs/dbraw/zinc/79/71/05/391797105.db2.gz OMCXYXVGUHPYSL-GFCCVEGCSA-N 2 2 264.373 1.554 20 30 CDEDLP C[C@@H]1C[NH+]=C(NC[C@@H](c2ccco2)[NH+]2CCCCC2)N1 ZINC000262670103 391810274 /nfs/dbraw/zinc/81/02/74/391810274.db2.gz QOQZMENSRQRIOW-OLZOCXBDSA-N 2 2 276.384 1.744 20 30 CDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NCc1ccsc1 ZINC000262796327 391823882 /nfs/dbraw/zinc/82/38/82/391823882.db2.gz PSLFZJABDUOCNM-UHFFFAOYSA-N 2 2 298.481 1.462 20 30 CDEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)N[C@H]1C[C@H]1C ZINC000262825619 391831079 /nfs/dbraw/zinc/83/10/79/391831079.db2.gz QIGBDLLBYUIPEZ-GRYCIOLGSA-N 2 2 280.441 1.924 20 30 CDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H](C)CC(=O)NC)C(C)C ZINC000268847947 132076086 /nfs/dbraw/zinc/07/60/86/132076086.db2.gz VOVOVRGFASUJMD-CABCVRRESA-N 2 2 281.444 1.799 20 30 CDEDLP C=CCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000662628781 413221155 /nfs/dbraw/zinc/22/11/55/413221155.db2.gz UEXBMPJVCXCSDL-INIZCTEOSA-N 2 2 298.390 1.494 20 30 CDEDLP C=CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000661385780 414045311 /nfs/dbraw/zinc/04/53/11/414045311.db2.gz POBJIVMMUZUIRK-CABCVRRESA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000661385780 414045319 /nfs/dbraw/zinc/04/53/19/414045319.db2.gz POBJIVMMUZUIRK-CABCVRRESA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000661385780 414045326 /nfs/dbraw/zinc/04/53/26/414045326.db2.gz POBJIVMMUZUIRK-CABCVRRESA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000661385780 414045332 /nfs/dbraw/zinc/04/53/32/414045332.db2.gz POBJIVMMUZUIRK-CABCVRRESA-N 2 2 270.417 1.214 20 30 CDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)N(C)CCC#N ZINC000092800133 260272267 /nfs/dbraw/zinc/27/22/67/260272267.db2.gz OFXFMUIXCKIROZ-CABCVRRESA-N 2 2 292.427 1.307 20 30 CDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)N(C)CCC#N ZINC000092800133 260272269 /nfs/dbraw/zinc/27/22/69/260272269.db2.gz OFXFMUIXCKIROZ-CABCVRRESA-N 2 2 292.427 1.307 20 30 CDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N(C)CCC#N ZINC000092800133 260272271 /nfs/dbraw/zinc/27/22/71/260272271.db2.gz OFXFMUIXCKIROZ-CABCVRRESA-N 2 2 292.427 1.307 20 30 CDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N(C)CCC#N ZINC000092800133 260272273 /nfs/dbraw/zinc/27/22/73/260272273.db2.gz OFXFMUIXCKIROZ-CABCVRRESA-N 2 2 292.427 1.307 20 30 CDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000330876713 264060626 /nfs/dbraw/zinc/06/06/26/264060626.db2.gz VMOICILZDKPCCW-CHWSQXEVSA-N 2 2 296.415 1.007 20 30 CDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000330876713 264060627 /nfs/dbraw/zinc/06/06/27/264060627.db2.gz VMOICILZDKPCCW-CHWSQXEVSA-N 2 2 296.415 1.007 20 30 CDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000330876713 264060628 /nfs/dbraw/zinc/06/06/28/264060628.db2.gz VMOICILZDKPCCW-CHWSQXEVSA-N 2 2 296.415 1.007 20 30 CDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000330876713 264060629 /nfs/dbraw/zinc/06/06/29/264060629.db2.gz VMOICILZDKPCCW-CHWSQXEVSA-N 2 2 296.415 1.007 20 30 CDEDLP Cc1[nH+]c2ccc(C(=O)NCC[NH+](C)C)cc2n1C ZINC000331020663 264098352 /nfs/dbraw/zinc/09/83/52/264098352.db2.gz JSVWURJDYBELDJ-UHFFFAOYSA-N 2 2 260.341 1.748 20 30 CDEDLP C=CCCn1cc(C[N@H+](C)CCCn2cc[nH+]c2C)nn1 ZINC000653587616 424312200 /nfs/dbraw/zinc/31/22/00/424312200.db2.gz KUVJWINTUSJBBG-UHFFFAOYSA-N 2 2 288.399 1.881 20 30 CDEDLP C=CCCn1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)nn1 ZINC000653587616 424312206 /nfs/dbraw/zinc/31/22/06/424312206.db2.gz KUVJWINTUSJBBG-UHFFFAOYSA-N 2 2 288.399 1.881 20 30 CDEDLP C=CC[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369437352 267243451 /nfs/dbraw/zinc/24/34/51/267243451.db2.gz WXWUHLWMYNXCNW-KGLIPLIRSA-N 2 2 294.443 1.419 20 30 CDEDLP C=CC[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369437352 267243454 /nfs/dbraw/zinc/24/34/54/267243454.db2.gz WXWUHLWMYNXCNW-KGLIPLIRSA-N 2 2 294.443 1.419 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000577408123 317326693 /nfs/dbraw/zinc/32/66/93/317326693.db2.gz IJGPEHMAYJHYJN-UHFFFAOYSA-N 2 2 287.392 1.675 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]CC1(C[NH2+][C@@H](CC)CC#N)COC1 ZINC000569588746 327201362 /nfs/dbraw/zinc/20/13/62/327201362.db2.gz DNCPFQQSQTVSNG-KBPBESRZSA-N 2 2 278.400 1.567 20 30 CDEDLP C[C@@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000170912889 329072380 /nfs/dbraw/zinc/07/23/80/329072380.db2.gz HBDFFEMKCJKHIG-CYBMUJFWSA-N 2 2 282.432 1.144 20 30 CDEDLP C[C@@H]1CCCN(C(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000170912889 329072382 /nfs/dbraw/zinc/07/23/82/329072382.db2.gz HBDFFEMKCJKHIG-CYBMUJFWSA-N 2 2 282.432 1.144 20 30 CDEDLP CC[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N1CCCC1 ZINC000171605682 329077881 /nfs/dbraw/zinc/07/78/81/329077881.db2.gz SAAFEPFSZMTLEJ-UHFFFAOYSA-N 2 2 282.432 1.159 20 30 CDEDLP CC[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N1CCCC1 ZINC000171605682 329077883 /nfs/dbraw/zinc/07/78/83/329077883.db2.gz SAAFEPFSZMTLEJ-UHFFFAOYSA-N 2 2 282.432 1.159 20 30 CDEDLP C=C(C)CC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583079946 329311154 /nfs/dbraw/zinc/31/11/54/329311154.db2.gz SEMQIKMMMFTOFQ-MJBXVCDLSA-N 2 2 256.390 1.012 20 30 CDEDLP C=C(C)CC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583079946 329311156 /nfs/dbraw/zinc/31/11/56/329311156.db2.gz SEMQIKMMMFTOFQ-MJBXVCDLSA-N 2 2 256.390 1.012 20 30 CDEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccco1 ZINC000423484760 330206465 /nfs/dbraw/zinc/20/64/65/330206465.db2.gz AKJRFYFKHYOPNV-KBPBESRZSA-N 2 2 263.385 1.780 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000424145188 330290188 /nfs/dbraw/zinc/29/01/88/330290188.db2.gz MZJSCPSOGVPVGM-OAHLLOKOSA-N 2 2 297.362 1.510 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000491485638 332220478 /nfs/dbraw/zinc/22/04/78/332220478.db2.gz 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C=CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021124 1163534433 /nfs/dbraw/zinc/53/44/33/1163534433.db2.gz JGWKEZDJTKPMSH-LSDHHAIUSA-N 2 2 290.411 1.533 20 30 CDEDLP C[N@H+](CC(C)(C)CCC#N)C1CC[NH+](CCO)CC1 ZINC000353362665 529844391 /nfs/dbraw/zinc/84/43/91/529844391.db2.gz FTDLEJQMCLJZST-UHFFFAOYSA-N 2 2 267.417 1.705 20 30 CDEDLP C[N@@H+](CC(C)(C)CCC#N)C1CC[NH+](CCO)CC1 ZINC000353362665 529844392 /nfs/dbraw/zinc/84/43/92/529844392.db2.gz FTDLEJQMCLJZST-UHFFFAOYSA-N 2 2 267.417 1.705 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000598590977 343837720 /nfs/dbraw/zinc/83/77/20/343837720.db2.gz VUBWQNKIKLRVOF-ZIAGYGMSSA-N 2 2 276.384 1.821 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000598590977 343837721 /nfs/dbraw/zinc/83/77/21/343837721.db2.gz VUBWQNKIKLRVOF-ZIAGYGMSSA-N 2 2 276.384 1.821 20 30 CDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721222 343883613 /nfs/dbraw/zinc/88/36/13/343883613.db2.gz TYODXHSTCWJURI-ZIAGYGMSSA-N 2 2 267.417 1.751 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[NH+](C)C ZINC000602595562 344502380 /nfs/dbraw/zinc/50/23/80/344502380.db2.gz YUPUWCPOVKKFDH-STQMWFEESA-N 2 2 253.390 1.625 20 30 CDEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000602485269 344449450 /nfs/dbraw/zinc/44/94/50/344449450.db2.gz WZQNLSLFCDBESX-ZACQAIPSSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@H](CCC#N)C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000602485269 344449451 /nfs/dbraw/zinc/44/94/51/344449451.db2.gz WZQNLSLFCDBESX-ZACQAIPSSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@@]1(C#N)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602903815 344655824 /nfs/dbraw/zinc/65/58/24/344655824.db2.gz SQGQQXQCTYYBSK-ROUUACIJSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@@]1(C#N)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602903815 344655828 /nfs/dbraw/zinc/65/58/28/344655828.db2.gz SQGQQXQCTYYBSK-ROUUACIJSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@@]1(C#N)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602903815 344655830 /nfs/dbraw/zinc/65/58/30/344655830.db2.gz SQGQQXQCTYYBSK-ROUUACIJSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@@]1(C#N)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602903815 344655833 /nfs/dbraw/zinc/65/58/33/344655833.db2.gz SQGQQXQCTYYBSK-ROUUACIJSA-N 2 2 299.418 1.859 20 30 CDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)n3)CC[C@H]21 ZINC000602487082 350114251 /nfs/dbraw/zinc/11/42/51/350114251.db2.gz STWYRYXEQLXSLL-CZUORRHYSA-N 2 2 270.380 1.869 20 30 CDEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)n3)CC[C@H]21 ZINC000602487082 350114254 /nfs/dbraw/zinc/11/42/54/350114254.db2.gz STWYRYXEQLXSLL-CZUORRHYSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C#N)n3)CC[C@H]21 ZINC000602487082 350114257 /nfs/dbraw/zinc/11/42/57/350114257.db2.gz STWYRYXEQLXSLL-CZUORRHYSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C#N)n3)CC[C@H]21 ZINC000602487082 350114260 /nfs/dbraw/zinc/11/42/60/350114260.db2.gz STWYRYXEQLXSLL-CZUORRHYSA-N 2 2 270.380 1.869 20 30 CDEDLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602503807 350115693 /nfs/dbraw/zinc/11/56/93/350115693.db2.gz RLGXBYOEAAIALV-UHFFFAOYSA-N 2 2 258.369 1.916 20 30 CDEDLP CC(C)CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000264095096 362965361 /nfs/dbraw/zinc/96/53/61/362965361.db2.gz LWBPRADTYQEOFD-NSHDSACASA-N 2 2 268.430 1.911 20 30 CDEDLP CCOc1ccc(O)c(/C=[NH+]/CCN2CC[NH+](C)CC2)c1 ZINC000019363841 356482635 /nfs/dbraw/zinc/48/26/35/356482635.db2.gz UKDFVZFRZAMQCD-GHRIWEEISA-N 2 2 291.395 1.457 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000298774233 356912782 /nfs/dbraw/zinc/91/27/82/356912782.db2.gz YQPPFBRIXUUABE-CQSZACIVSA-N 2 2 265.401 1.213 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156333827 358097234 /nfs/dbraw/zinc/09/72/34/358097234.db2.gz GYNSQDJDYOVYHO-OCCSQVGLSA-N 2 2 275.352 1.225 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156333827 358097237 /nfs/dbraw/zinc/09/72/37/358097237.db2.gz GYNSQDJDYOVYHO-OCCSQVGLSA-N 2 2 275.352 1.225 20 30 CDEDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000569501141 358519057 /nfs/dbraw/zinc/51/90/57/358519057.db2.gz MJVUVLDWXQBWHS-KBPBESRZSA-N 2 2 265.401 1.504 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346482008 359016444 /nfs/dbraw/zinc/01/64/44/359016444.db2.gz GYNSQDJDYOVYHO-GXTWGEPZSA-N 2 2 275.352 1.225 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346482008 359016446 /nfs/dbraw/zinc/01/64/46/359016446.db2.gz GYNSQDJDYOVYHO-GXTWGEPZSA-N 2 2 275.352 1.225 20 30 CDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cn3)C2)C1 ZINC000571341446 359565898 /nfs/dbraw/zinc/56/58/98/359565898.db2.gz LGKMJVMFOOWKDP-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cn3)C2)C1 ZINC000571341446 359565899 /nfs/dbraw/zinc/56/58/99/359565899.db2.gz LGKMJVMFOOWKDP-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000571341446 359565900 /nfs/dbraw/zinc/56/59/00/359565900.db2.gz LGKMJVMFOOWKDP-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000571341446 359565901 /nfs/dbraw/zinc/56/59/01/359565901.db2.gz LGKMJVMFOOWKDP-OAHLLOKOSA-N 2 2 256.353 1.481 20 30 CDEDLP C#CC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277068104 359554325 /nfs/dbraw/zinc/55/43/25/359554325.db2.gz WUTPADPNOQKLDP-NVXWUHKLSA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277068104 359554331 /nfs/dbraw/zinc/55/43/31/359554331.db2.gz WUTPADPNOQKLDP-NVXWUHKLSA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277068104 359554333 /nfs/dbraw/zinc/55/43/33/359554333.db2.gz WUTPADPNOQKLDP-NVXWUHKLSA-N 2 2 299.418 1.331 20 30 CDEDLP C#CC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277068104 359554336 /nfs/dbraw/zinc/55/43/36/359554336.db2.gz WUTPADPNOQKLDP-NVXWUHKLSA-N 2 2 299.418 1.331 20 30 CDEDLP C=CC[NH+](CC(O)C[N@H+](CC=C)C1CC1)C1CC1 ZINC000278235883 359580384 /nfs/dbraw/zinc/58/03/84/359580384.db2.gz FWHFGSKSLFIKAK-UHFFFAOYSA-N 2 2 250.386 1.648 20 30 CDEDLP C=CC[NH+](CC(O)C[N@@H+](CC=C)C1CC1)C1CC1 ZINC000278235883 359580389 /nfs/dbraw/zinc/58/03/89/359580389.db2.gz FWHFGSKSLFIKAK-UHFFFAOYSA-N 2 2 250.386 1.648 20 30 CDEDLP C=CCOCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000348051848 359803237 /nfs/dbraw/zinc/80/32/37/359803237.db2.gz RTIJLGUYZAJZKB-OAHLLOKOSA-N 2 2 268.401 1.233 20 30 CDEDLP C=CCOCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000348051848 359803242 /nfs/dbraw/zinc/80/32/42/359803242.db2.gz RTIJLGUYZAJZKB-OAHLLOKOSA-N 2 2 268.401 1.233 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C1=O ZINC000337196973 360019053 /nfs/dbraw/zinc/01/90/53/360019053.db2.gz WSYAOZVEUFHUAH-KKUMJFAQSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C1=O ZINC000337196973 360019057 /nfs/dbraw/zinc/01/90/57/360019057.db2.gz WSYAOZVEUFHUAH-KKUMJFAQSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C1=O ZINC000337196973 360019058 /nfs/dbraw/zinc/01/90/58/360019058.db2.gz WSYAOZVEUFHUAH-KKUMJFAQSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C1=O ZINC000337196973 360019063 /nfs/dbraw/zinc/01/90/63/360019063.db2.gz WSYAOZVEUFHUAH-KKUMJFAQSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCNC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860054 369469904 /nfs/dbraw/zinc/46/99/04/369469904.db2.gz NQMTWSFXSJPFCY-ZDUSSCGKSA-N 2 2 253.390 1.095 20 30 CDEDLP C=CCNC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860054 369469909 /nfs/dbraw/zinc/46/99/09/369469909.db2.gz NQMTWSFXSJPFCY-ZDUSSCGKSA-N 2 2 253.390 1.095 20 30 CDEDLP C=CCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860054 369469912 /nfs/dbraw/zinc/46/99/12/369469912.db2.gz NQMTWSFXSJPFCY-ZDUSSCGKSA-N 2 2 253.390 1.095 20 30 CDEDLP C=CCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860054 369469916 /nfs/dbraw/zinc/46/99/16/369469916.db2.gz NQMTWSFXSJPFCY-ZDUSSCGKSA-N 2 2 253.390 1.095 20 30 CDEDLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000347707992 372295176 /nfs/dbraw/zinc/29/51/76/372295176.db2.gz OOJTYQFGWFQMMN-UHFFFAOYSA-N 2 2 254.337 1.966 20 30 CDEDLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000347707992 372295184 /nfs/dbraw/zinc/29/51/84/372295184.db2.gz OOJTYQFGWFQMMN-UHFFFAOYSA-N 2 2 254.337 1.966 20 30 CDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986514 541960898 /nfs/dbraw/zinc/96/08/98/541960898.db2.gz VKRVIORXPPNSAH-CVEARBPZSA-N 2 2 282.428 1.500 20 30 CDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986514 541960903 /nfs/dbraw/zinc/96/09/03/541960903.db2.gz VKRVIORXPPNSAH-CVEARBPZSA-N 2 2 282.428 1.500 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000293974757 378606148 /nfs/dbraw/zinc/60/61/48/378606148.db2.gz UZWXMKGGYOGNCE-UHFFFAOYSA-N 2 2 296.374 1.926 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000266953154 378907111 /nfs/dbraw/zinc/90/71/11/378907111.db2.gz UWSLSRAWEXSQHT-UHFFFAOYSA-N 2 2 299.353 1.753 20 30 CDEDLP C=CCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195292 379176618 /nfs/dbraw/zinc/17/66/18/379176618.db2.gz UEVIFDAVROWLET-UHFFFAOYSA-N 2 2 274.368 1.738 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150786792 390916415 /nfs/dbraw/zinc/91/64/15/390916415.db2.gz IIXQCXXFRZEULJ-OAHLLOKOSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150786792 390916416 /nfs/dbraw/zinc/91/64/16/390916416.db2.gz IIXQCXXFRZEULJ-OAHLLOKOSA-N 2 2 292.427 1.166 20 30 CDEDLP CC#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000155678720 390919697 /nfs/dbraw/zinc/91/96/97/390919697.db2.gz ALPYKZSINKCSAS-OAHLLOKOSA-N 2 2 250.386 1.444 20 30 CDEDLP CC#CCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000155678720 390919698 /nfs/dbraw/zinc/91/96/98/390919698.db2.gz ALPYKZSINKCSAS-OAHLLOKOSA-N 2 2 250.386 1.444 20 30 CDEDLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000361116176 391683959 /nfs/dbraw/zinc/68/39/59/391683959.db2.gz BSNDFSYCNAHFCI-UHFFFAOYSA-N 2 2 281.400 1.543 20 30 CDEDLP C[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261955891 391740603 /nfs/dbraw/zinc/74/06/03/391740603.db2.gz ITMPQBKRMPXWTO-QPSCCSFWSA-N 2 2 289.427 1.997 20 30 CDEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC1CCOCC1 ZINC000329807451 391782959 /nfs/dbraw/zinc/78/29/59/391782959.db2.gz ADNBUGCVYQKTKA-UHFFFAOYSA-N 2 2 292.383 1.725 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814525 391802621 /nfs/dbraw/zinc/80/26/21/391802621.db2.gz RXFRQFVNUSUVIT-UHFFFAOYSA-N 2 2 277.412 1.403 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814525 391802623 /nfs/dbraw/zinc/80/26/23/391802623.db2.gz RXFRQFVNUSUVIT-UHFFFAOYSA-N 2 2 277.412 1.403 20 30 CDEDLP C[C@H]1C[NH+]=C(NC[C@H](c2ccsc2)[NH+](C)C)N1 ZINC000262680709 391811820 /nfs/dbraw/zinc/81/18/20/391811820.db2.gz WAKNYRCKIBQIGO-GXSJLCMTSA-N 2 2 252.387 1.288 20 30 CDEDLP N#Cc1csc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665311 147061666 /nfs/dbraw/zinc/06/16/66/147061666.db2.gz WLFUJDUJEDAQBV-ZDUSSCGKSA-N 2 2 291.420 1.774 20 30 CDEDLP N#Cc1csc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665311 147061669 /nfs/dbraw/zinc/06/16/69/147061669.db2.gz WLFUJDUJEDAQBV-ZDUSSCGKSA-N 2 2 291.420 1.774 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)nn1 ZINC000657355211 414220957 /nfs/dbraw/zinc/22/09/57/414220957.db2.gz GFBRPFJSJBEASU-CYBMUJFWSA-N 2 2 263.389 1.286 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)nn1 ZINC000657355211 414220964 /nfs/dbraw/zinc/22/09/64/414220964.db2.gz GFBRPFJSJBEASU-CYBMUJFWSA-N 2 2 263.389 1.286 20 30 CDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)NCC1CC1 ZINC000176294501 261647113 /nfs/dbraw/zinc/64/71/13/261647113.db2.gz UEZWVLDTQSUAJT-UHFFFAOYSA-N 2 2 284.367 1.342 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332020239 262641179 /nfs/dbraw/zinc/64/11/79/262641179.db2.gz QRTCMEGAGIFLJO-GOEBONIOSA-N 2 2 294.443 1.457 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332020239 262641180 /nfs/dbraw/zinc/64/11/80/262641180.db2.gz QRTCMEGAGIFLJO-GOEBONIOSA-N 2 2 294.443 1.457 20 30 CDEDLP Cc1cc(C)c(NC(=O)NCC[NH+](C)C)c(C)[nH+]1 ZINC000331241823 264177292 /nfs/dbraw/zinc/17/72/92/264177292.db2.gz QPWBXYTXSHDPKT-UHFFFAOYSA-N 2 2 250.346 1.894 20 30 CDEDLP C#C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(C)C ZINC000377691542 329024891 /nfs/dbraw/zinc/02/48/91/329024891.db2.gz AWEIPCPMQOEHMZ-KRWDZBQOSA-N 2 2 293.455 1.030 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C(C)C ZINC000377691542 329024892 /nfs/dbraw/zinc/02/48/92/329024892.db2.gz AWEIPCPMQOEHMZ-KRWDZBQOSA-N 2 2 293.455 1.030 20 30 CDEDLP C=CCn1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)nn1 ZINC000424292300 330334966 /nfs/dbraw/zinc/33/49/66/330334966.db2.gz GIVLJTNDVZWEFL-UHFFFAOYSA-N 2 2 263.389 1.427 20 30 CDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)nn1 ZINC000424294960 330335841 /nfs/dbraw/zinc/33/58/41/330335841.db2.gz MAQWJUWMFXSFQF-JSGCOSHPSA-N 2 2 263.389 1.284 20 30 CDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)nn1 ZINC000424294960 330335842 /nfs/dbraw/zinc/33/58/42/330335842.db2.gz MAQWJUWMFXSFQF-JSGCOSHPSA-N 2 2 263.389 1.284 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000491483827 332219383 /nfs/dbraw/zinc/21/93/83/332219383.db2.gz FNLQMMDEUJLHMD-DOTOQJQBSA-N 2 2 299.418 1.379 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000491483827 332219384 /nfs/dbraw/zinc/21/93/84/332219384.db2.gz FNLQMMDEUJLHMD-DOTOQJQBSA-N 2 2 299.418 1.379 20 30 CDEDLP C=C(C)C[NH+]1CCC(Nc2nc[nH+]c(N)c2OC)CC1 ZINC000575816861 335118849 /nfs/dbraw/zinc/11/88/49/335118849.db2.gz XTOPXGVFWSXUKJ-UHFFFAOYSA-N 2 2 277.372 1.520 20 30 CDEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]cnc(N)c2OC)CC1 ZINC000575816861 335118850 /nfs/dbraw/zinc/11/88/50/335118850.db2.gz XTOPXGVFWSXUKJ-UHFFFAOYSA-N 2 2 277.372 1.520 20 30 CDEDLP CN(C)c1[nH+]cc(C[NH+]2CCC(CC#N)CC2)n1C ZINC000567583463 334736913 /nfs/dbraw/zinc/73/69/13/334736913.db2.gz SDSDUEBBIWSYPA-UHFFFAOYSA-N 2 2 261.373 1.612 20 30 CDEDLP C[NH+](C)[C@]1(C[NH2+]C[C@@H](C#N)CCC#N)CCSC1 ZINC000581603039 336110133 /nfs/dbraw/zinc/11/01/33/336110133.db2.gz HOTSWWQVYFRBDR-OLZOCXBDSA-N 2 2 266.414 1.457 20 30 CDEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001113383628 1162166616 /nfs/dbraw/zinc/16/66/16/1162166616.db2.gz IVIXOTLZHKSMGP-ZDUSSCGKSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000333268920 526445328 /nfs/dbraw/zinc/44/53/28/526445328.db2.gz GXTDVADEAITNCQ-ZDUSSCGKSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CC(C)C)C2)CC1 ZINC000748824802 576928249 /nfs/dbraw/zinc/92/82/49/576928249.db2.gz OLNBFBLQRXFRFG-INIZCTEOSA-N 2 2 291.439 1.132 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CC(C)C)C2)CC1 ZINC000748824802 576928251 /nfs/dbraw/zinc/92/82/51/576928251.db2.gz OLNBFBLQRXFRFG-INIZCTEOSA-N 2 2 291.439 1.132 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000951628255 613009556 /nfs/dbraw/zinc/00/95/56/613009556.db2.gz MKSKPTDJZCLEKQ-CVEARBPZSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000951628255 613009557 /nfs/dbraw/zinc/00/95/57/613009557.db2.gz MKSKPTDJZCLEKQ-CVEARBPZSA-N 2 2 289.423 1.171 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595665 613325644 /nfs/dbraw/zinc/32/56/44/613325644.db2.gz CMOFGNKWXCOMLR-IUODEOHRSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595665 613325646 /nfs/dbraw/zinc/32/56/46/613325646.db2.gz CMOFGNKWXCOMLR-IUODEOHRSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939211160 613386329 /nfs/dbraw/zinc/38/63/29/613386329.db2.gz QRAIFFCRORUJSR-BXKDBHETSA-N 2 2 282.775 1.141 20 30 CDEDLP CC#CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982050872 613548237 /nfs/dbraw/zinc/54/82/37/613548237.db2.gz GXWICJWACMYMEE-OAHLLOKOSA-N 2 2 288.395 1.392 20 30 CDEDLP CC#CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982050872 613548239 /nfs/dbraw/zinc/54/82/39/613548239.db2.gz GXWICJWACMYMEE-OAHLLOKOSA-N 2 2 288.395 1.392 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929825 613782817 /nfs/dbraw/zinc/78/28/17/613782817.db2.gz PBIBELGSZBQYFT-OLZOCXBDSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929825 613782818 /nfs/dbraw/zinc/78/28/18/613782818.db2.gz PBIBELGSZBQYFT-OLZOCXBDSA-N 2 2 276.384 1.118 20 30 CDEDLP C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)[C@H]1CCCO1 ZINC000926210219 617544445 /nfs/dbraw/zinc/54/44/45/617544445.db2.gz LHFUDDFWAJMTAF-SLUKUZTOSA-N 2 2 292.423 1.399 20 30 CDEDLP C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)[C@H]1CCCO1 ZINC000926210219 617544449 /nfs/dbraw/zinc/54/44/49/617544449.db2.gz LHFUDDFWAJMTAF-SLUKUZTOSA-N 2 2 292.423 1.399 20 30 CDEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@](F)(C[NH3+])C3)c2c1 ZINC001157812526 1162443614 /nfs/dbraw/zinc/44/36/14/1162443614.db2.gz BTIIOYURYIPZPA-HNNXBMFYSA-N 2 2 270.311 1.984 20 30 CDEDLP C#CCC[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130001554 1162517025 /nfs/dbraw/zinc/51/70/25/1162517025.db2.gz RXWHISDBQFTZBO-AWEZNQCLSA-N 2 2 276.384 1.199 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132029093 1163151965 /nfs/dbraw/zinc/15/19/65/1163151965.db2.gz GSDPPPDVVUJNNI-KBPBESRZSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132029093 1163151970 /nfs/dbraw/zinc/15/19/70/1163151970.db2.gz GSDPPPDVVUJNNI-KBPBESRZSA-N 2 2 290.411 1.888 20 30 CDEDLP C#CCOc1ccc(C[NH2+][C@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC001574735296 1171000128 /nfs/dbraw/zinc/00/01/28/1171000128.db2.gz DNIKHICHVNFURQ-UKRRQHHQSA-N 2 2 258.365 1.786 20 30 CDEDLP C=CC[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753068258 1185036125 /nfs/dbraw/zinc/03/61/25/1185036125.db2.gz WYBXYBUYUBTPDL-GFCCVEGCSA-N 2 2 250.346 1.068 20 30 CDEDLP C=CC[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753068258 1185036127 /nfs/dbraw/zinc/03/61/27/1185036127.db2.gz WYBXYBUYUBTPDL-GFCCVEGCSA-N 2 2 250.346 1.068 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001753116968 1185067792 /nfs/dbraw/zinc/06/77/92/1185067792.db2.gz SPTSCNHIFVYSRE-CYBMUJFWSA-N 2 2 276.384 1.417 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001753116968 1185067799 /nfs/dbraw/zinc/06/77/99/1185067799.db2.gz SPTSCNHIFVYSRE-CYBMUJFWSA-N 2 2 276.384 1.417 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001753449513 1185214396 /nfs/dbraw/zinc/21/43/96/1185214396.db2.gz GNNNOOGSUOEDBY-IAGOWNOFSA-N 2 2 299.418 1.455 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001753449513 1185214399 /nfs/dbraw/zinc/21/43/99/1185214399.db2.gz GNNNOOGSUOEDBY-IAGOWNOFSA-N 2 2 299.418 1.455 20 30 CDEDLP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001753790459 1185335470 /nfs/dbraw/zinc/33/54/70/1185335470.db2.gz NVZDJPVHLXLIFR-OAHLLOKOSA-N 2 2 288.395 1.267 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001754611928 1185684342 /nfs/dbraw/zinc/68/43/42/1185684342.db2.gz YDOMINAJILOQTF-BFHYXJOUSA-N 2 2 286.379 1.117 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001754611928 1185684348 /nfs/dbraw/zinc/68/43/48/1185684348.db2.gz YDOMINAJILOQTF-BFHYXJOUSA-N 2 2 286.379 1.117 20 30 CDEDLP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001755695803 1186039420 /nfs/dbraw/zinc/03/94/20/1186039420.db2.gz ZMTRPQWJRMDHQF-CHWSQXEVSA-N 2 2 262.357 1.038 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001353 742840862 /nfs/dbraw/zinc/84/08/62/742840862.db2.gz VYRBNVFUSGTTDO-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014988919 742899337 /nfs/dbraw/zinc/89/93/37/742899337.db2.gz DFMIALSVVNJQNX-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014988919 742899338 /nfs/dbraw/zinc/89/93/38/742899338.db2.gz DFMIALSVVNJQNX-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP CC(C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000261973168 743080338 /nfs/dbraw/zinc/08/03/38/743080338.db2.gz DZPMVMXOCDZVMO-NSHDSACASA-N 2 2 280.441 1.807 20 30 CDEDLP CC(C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000261973168 743080348 /nfs/dbraw/zinc/08/03/48/743080348.db2.gz DZPMVMXOCDZVMO-NSHDSACASA-N 2 2 280.441 1.807 20 30 CDEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)[C@H]1CCCO1 ZINC000883225523 743375478 /nfs/dbraw/zinc/37/54/78/743375478.db2.gz IWENJVKBPYXQOM-YESZJQIVSA-N 2 2 296.455 1.937 20 30 CDEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CCCO1 ZINC000883225523 743375490 /nfs/dbraw/zinc/37/54/90/743375490.db2.gz IWENJVKBPYXQOM-YESZJQIVSA-N 2 2 296.455 1.937 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001038685639 745074398 /nfs/dbraw/zinc/07/43/98/745074398.db2.gz VNDJFDOMKBSDEG-CHWSQXEVSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001038685639 745074401 /nfs/dbraw/zinc/07/44/01/745074401.db2.gz VNDJFDOMKBSDEG-CHWSQXEVSA-N 2 2 288.395 1.596 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001019447325 745117095 /nfs/dbraw/zinc/11/70/95/745117095.db2.gz CPXIPIVEJSCMBM-OLZOCXBDSA-N 2 2 296.802 1.777 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC=C ZINC001027940672 745313970 /nfs/dbraw/zinc/31/39/70/745313970.db2.gz QICPPLKQHLQENO-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC=C ZINC001027940672 745313983 /nfs/dbraw/zinc/31/39/83/745313983.db2.gz QICPPLKQHLQENO-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC=C ZINC001027940672 745313991 /nfs/dbraw/zinc/31/39/91/745313991.db2.gz QICPPLKQHLQENO-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC=C ZINC001027940672 745313995 /nfs/dbraw/zinc/31/39/95/745313995.db2.gz QICPPLKQHLQENO-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP CC[NH+]=C(NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)NC1CC1 ZINC000103904909 745544082 /nfs/dbraw/zinc/54/40/82/745544082.db2.gz XKCXUSMNSQBUKQ-STQMWFEESA-N 2 2 296.459 1.592 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001072122235 745558926 /nfs/dbraw/zinc/55/89/26/745558926.db2.gz GQTAHTBUVCSHIC-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001072122235 745558934 /nfs/dbraw/zinc/55/89/34/745558934.db2.gz GQTAHTBUVCSHIC-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001014900994 745660005 /nfs/dbraw/zinc/66/00/05/745660005.db2.gz JHPLYSZNTOFJJN-AWEZNQCLSA-N 2 2 288.395 1.140 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001014900994 745660018 /nfs/dbraw/zinc/66/00/18/745660018.db2.gz JHPLYSZNTOFJJN-AWEZNQCLSA-N 2 2 288.395 1.140 20 30 CDEDLP N#Cc1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000872146691 745818185 /nfs/dbraw/zinc/81/81/85/745818185.db2.gz VJMLXQDMHOSCJW-AWEZNQCLSA-N 2 2 285.395 1.075 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749246 745882948 /nfs/dbraw/zinc/88/29/48/745882948.db2.gz SWQCQQYQJUTJCO-CQSZACIVSA-N 2 2 290.411 1.889 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749246 745882950 /nfs/dbraw/zinc/88/29/50/745882950.db2.gz SWQCQQYQJUTJCO-CQSZACIVSA-N 2 2 290.411 1.889 20 30 CDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001034688980 746212982 /nfs/dbraw/zinc/21/29/82/746212982.db2.gz HFRYTENWEWRDNC-HDJSIYSDSA-N 2 2 296.374 1.598 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccn2)CC1 ZINC000853100022 746533676 /nfs/dbraw/zinc/53/36/76/746533676.db2.gz YCWVTWPNNRQQOA-HNNXBMFYSA-N 2 2 261.369 1.355 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992837209 746700603 /nfs/dbraw/zinc/70/06/03/746700603.db2.gz PJZBQSXBKWJIII-NWANDNLSSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036702874 746847166 /nfs/dbraw/zinc/84/71/66/746847166.db2.gz SSJGGBWVNURRHK-ZIAGYGMSSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036702874 746847167 /nfs/dbraw/zinc/84/71/67/746847167.db2.gz SSJGGBWVNURRHK-ZIAGYGMSSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021881 747006430 /nfs/dbraw/zinc/00/64/30/747006430.db2.gz RJKUJBBFTLCXHL-AWEZNQCLSA-N 2 2 288.395 1.555 20 30 CDEDLP C=CC[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985752456 747062716 /nfs/dbraw/zinc/06/27/16/747062716.db2.gz URHMUQOJFXUVOC-UHFFFAOYSA-N 2 2 276.384 1.071 20 30 CDEDLP C=CC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985752456 747062723 /nfs/dbraw/zinc/06/27/23/747062723.db2.gz URHMUQOJFXUVOC-UHFFFAOYSA-N 2 2 276.384 1.071 20 30 CDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034270407 747287691 /nfs/dbraw/zinc/28/76/91/747287691.db2.gz GZIIICUHRMYJFT-AWEZNQCLSA-N 2 2 296.374 1.780 20 30 CDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034270407 747287698 /nfs/dbraw/zinc/28/76/98/747287698.db2.gz GZIIICUHRMYJFT-AWEZNQCLSA-N 2 2 296.374 1.780 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886094158 747700899 /nfs/dbraw/zinc/70/08/99/747700899.db2.gz NVRMAOKUDAKOAQ-AWEZNQCLSA-N 2 2 276.384 1.650 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886094158 747700920 /nfs/dbraw/zinc/70/09/20/747700920.db2.gz NVRMAOKUDAKOAQ-AWEZNQCLSA-N 2 2 276.384 1.650 20 30 CDEDLP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139664 747868970 /nfs/dbraw/zinc/86/89/70/747868970.db2.gz PYBSLMYKRQXWNS-AWEZNQCLSA-N 2 2 298.390 1.211 20 30 CDEDLP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139664 747868972 /nfs/dbraw/zinc/86/89/72/747868972.db2.gz PYBSLMYKRQXWNS-AWEZNQCLSA-N 2 2 298.390 1.211 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017779851 747952422 /nfs/dbraw/zinc/95/24/22/747952422.db2.gz GDJMFBBNJABTCL-GASCZTMLSA-N 2 2 288.395 1.525 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017779851 747952440 /nfs/dbraw/zinc/95/24/40/747952440.db2.gz GDJMFBBNJABTCL-GASCZTMLSA-N 2 2 288.395 1.525 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749812 748049241 /nfs/dbraw/zinc/04/92/41/748049241.db2.gz CAUHNKNRHCVBKF-GFCCVEGCSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749812 748049248 /nfs/dbraw/zinc/04/92/48/748049248.db2.gz CAUHNKNRHCVBKF-GFCCVEGCSA-N 2 2 262.357 1.109 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001038328785 748231322 /nfs/dbraw/zinc/23/13/22/748231322.db2.gz NXCDNROKOBWBFC-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001038328785 748231336 /nfs/dbraw/zinc/23/13/36/748231336.db2.gz NXCDNROKOBWBFC-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001038328785 748231346 /nfs/dbraw/zinc/23/13/46/748231346.db2.gz NXCDNROKOBWBFC-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001038328785 748231357 /nfs/dbraw/zinc/23/13/57/748231357.db2.gz NXCDNROKOBWBFC-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001044790895 748555065 /nfs/dbraw/zinc/55/50/65/748555065.db2.gz DPDMCSBHUPMPAJ-NEPJUHHUSA-N 2 2 262.357 1.107 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC2(O)CCC2)cc1 ZINC000853673794 748752038 /nfs/dbraw/zinc/75/20/38/748752038.db2.gz JRPYLDVBHXTGLA-UHFFFAOYSA-N 2 2 291.395 1.690 20 30 CDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992525775 748789950 /nfs/dbraw/zinc/78/99/50/748789950.db2.gz XQPAPNYIBBDRFE-HIFRSBDPSA-N 2 2 274.368 1.182 20 30 CDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992525775 748789968 /nfs/dbraw/zinc/78/99/68/748789968.db2.gz XQPAPNYIBBDRFE-HIFRSBDPSA-N 2 2 274.368 1.182 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1cc(NCCCC)[nH+]c(N)n1 ZINC000814928825 748818756 /nfs/dbraw/zinc/81/87/56/748818756.db2.gz MAMUSFXJIKUEKI-UHFFFAOYSA-N 2 2 290.415 1.638 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc(NCCCC)[nH+]c(N)n1 ZINC000814928825 748818761 /nfs/dbraw/zinc/81/87/61/748818761.db2.gz MAMUSFXJIKUEKI-UHFFFAOYSA-N 2 2 290.415 1.638 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1cc(NCCCC)nc(N)[nH+]1 ZINC000814928825 748818763 /nfs/dbraw/zinc/81/87/63/748818763.db2.gz MAMUSFXJIKUEKI-UHFFFAOYSA-N 2 2 290.415 1.638 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc(NCCCC)nc(N)[nH+]1 ZINC000814928825 748818765 /nfs/dbraw/zinc/81/87/65/748818765.db2.gz MAMUSFXJIKUEKI-UHFFFAOYSA-N 2 2 290.415 1.638 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792535 748878684 /nfs/dbraw/zinc/87/86/84/748878684.db2.gz OXEKVFVCKHFNOX-OKILXGFUSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792535 748878688 /nfs/dbraw/zinc/87/86/88/748878688.db2.gz OXEKVFVCKHFNOX-OKILXGFUSA-N 2 2 288.395 1.309 20 30 CDEDLP C#CCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870666909 748885279 /nfs/dbraw/zinc/88/52/79/748885279.db2.gz NFAHBYGVYKLYAO-UHFFFAOYSA-N 2 2 286.379 1.575 20 30 CDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001032657068 748952098 /nfs/dbraw/zinc/95/20/98/748952098.db2.gz VVHQVCSPHNAZPH-ILXRZTDVSA-N 2 2 288.395 1.695 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001032657068 748952109 /nfs/dbraw/zinc/95/21/09/748952109.db2.gz VVHQVCSPHNAZPH-ILXRZTDVSA-N 2 2 288.395 1.695 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167354347 895416649 /nfs/dbraw/zinc/41/66/49/895416649.db2.gz IVHNWGMJINHNGZ-AWEZNQCLSA-N 2 2 290.411 1.896 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001183774050 918664501 /nfs/dbraw/zinc/66/45/01/918664501.db2.gz XOVCXKBBYUVBCA-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202856398 936559242 /nfs/dbraw/zinc/55/92/42/936559242.db2.gz KZHYWNVZRSFIAU-OLZOCXBDSA-N 2 2 288.395 1.545 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185370261 919579065 /nfs/dbraw/zinc/57/90/65/919579065.db2.gz HLOCPUBRGKINLZ-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)c(F)c1 ZINC001139529061 936626971 /nfs/dbraw/zinc/62/69/71/936626971.db2.gz HONCIMGSNUWHOG-UHFFFAOYSA-N 2 2 290.386 1.377 20 30 CDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)c(F)c1 ZINC001139529061 936626973 /nfs/dbraw/zinc/62/69/73/936626973.db2.gz HONCIMGSNUWHOG-UHFFFAOYSA-N 2 2 290.386 1.377 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001078795378 920467044 /nfs/dbraw/zinc/46/70/44/920467044.db2.gz PTGXQIQZWGYROY-UONOGXRCSA-N 2 2 288.395 1.464 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(C#N)ccc2Cl)CC1 ZINC001168746530 922019092 /nfs/dbraw/zinc/01/90/92/922019092.db2.gz UZPKSNJTGJGKCJ-UHFFFAOYSA-N 2 2 278.747 1.201 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037036 924680153 /nfs/dbraw/zinc/68/01/53/924680153.db2.gz PSFREYJETPVHJL-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037036 924680157 /nfs/dbraw/zinc/68/01/57/924680157.db2.gz PSFREYJETPVHJL-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871307 936941741 /nfs/dbraw/zinc/94/17/41/936941741.db2.gz LNKREDXXANYWGW-UHFFFAOYSA-N 2 2 276.384 1.023 20 30 CDEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC(F)(C[NH3+])CC3)c12 ZINC001165262827 925009572 /nfs/dbraw/zinc/00/95/72/925009572.db2.gz IRJGGPYLCOFYTJ-UHFFFAOYSA-N 2 2 273.315 1.702 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001084805938 925434386 /nfs/dbraw/zinc/43/43/86/925434386.db2.gz NZLHTPDNXUHNQQ-UKRRQHHQSA-N 2 2 288.395 1.071 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001084805938 925434393 /nfs/dbraw/zinc/43/43/93/925434393.db2.gz NZLHTPDNXUHNQQ-UKRRQHHQSA-N 2 2 288.395 1.071 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC ZINC001085646974 926241647 /nfs/dbraw/zinc/24/16/47/926241647.db2.gz XATAPPKFMUSQEB-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC ZINC001085646974 926241653 /nfs/dbraw/zinc/24/16/53/926241653.db2.gz XATAPPKFMUSQEB-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC ZINC001085646974 926241663 /nfs/dbraw/zinc/24/16/63/926241663.db2.gz XATAPPKFMUSQEB-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC ZINC001085646974 926241670 /nfs/dbraw/zinc/24/16/70/926241670.db2.gz XATAPPKFMUSQEB-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134745637 929881939 /nfs/dbraw/zinc/88/19/39/929881939.db2.gz XVSHEMVYOMMEOV-OLZOCXBDSA-N 2 2 292.427 1.986 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944313 930553465 /nfs/dbraw/zinc/55/34/65/930553465.db2.gz IHUPZSVSWSRAAH-VXGBXAGGSA-N 2 2 264.373 1.022 20 30 CDEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135949171 930554219 /nfs/dbraw/zinc/55/42/19/930554219.db2.gz IYIPUMXCCRIQCC-CHWSQXEVSA-N 2 2 278.400 1.412 20 30 CDEDLP C=CCCCCCC[C@H](O)C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246048126 930886770 /nfs/dbraw/zinc/88/67/70/930886770.db2.gz VMFCWVFSIBQZIQ-QLFBSQMISA-N 2 2 252.402 1.907 20 30 CDEDLP C=CCCCCCC[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246048126 930886774 /nfs/dbraw/zinc/88/67/74/930886774.db2.gz VMFCWVFSIBQZIQ-QLFBSQMISA-N 2 2 252.402 1.907 20 30 CDEDLP C[NH+](C)CCN1CCC2(C[NH+](Cc3ccc(C#N)nc3)C2)C1 ZINC001275296058 931729076 /nfs/dbraw/zinc/72/90/76/931729076.db2.gz OSRZZDQKVZXMQT-UHFFFAOYSA-N 2 2 299.422 1.023 20 30 CDEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707064 932285964 /nfs/dbraw/zinc/28/59/64/932285964.db2.gz NPDVCXLQNTZCKW-ZIAGYGMSSA-N 2 2 276.384 1.169 20 30 CDEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146713025 932287823 /nfs/dbraw/zinc/28/78/23/932287823.db2.gz HEFZYAZXTMMLNQ-LSDHHAIUSA-N 2 2 290.411 1.560 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015027827 935555644 /nfs/dbraw/zinc/55/56/44/935555644.db2.gz LRVMNLGLSLLRMD-LBPRGKRZSA-N 2 2 292.383 1.116 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015027827 935555649 /nfs/dbraw/zinc/55/56/49/935555649.db2.gz LRVMNLGLSLLRMD-LBPRGKRZSA-N 2 2 292.383 1.116 20 30 CDEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001096608252 936192846 /nfs/dbraw/zinc/19/28/46/936192846.db2.gz SDVUJZZTBFDNIC-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001096608252 936192848 /nfs/dbraw/zinc/19/28/48/936192848.db2.gz SDVUJZZTBFDNIC-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001096608252 936192849 /nfs/dbraw/zinc/19/28/49/936192849.db2.gz SDVUJZZTBFDNIC-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001096608252 936192851 /nfs/dbraw/zinc/19/28/51/936192851.db2.gz SDVUJZZTBFDNIC-UGUYLWEFSA-N 2 2 289.423 1.216 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)cc(C#N)n2)CC1 ZINC001157914623 938562103 /nfs/dbraw/zinc/56/21/03/938562103.db2.gz JFOWVXAZQIDEIQ-UHFFFAOYSA-N 2 2 278.747 1.201 20 30 CDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158300761 938605487 /nfs/dbraw/zinc/60/54/87/938605487.db2.gz PHVHFQWSRKLOLJ-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158300761 938605488 /nfs/dbraw/zinc/60/54/88/938605488.db2.gz PHVHFQWSRKLOLJ-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158300839 938605605 /nfs/dbraw/zinc/60/56/05/938605605.db2.gz TUIOBIPDCPRRHV-OAHLLOKOSA-N 2 2 288.395 1.219 20 30 CDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158300839 938605606 /nfs/dbraw/zinc/60/56/06/938605606.db2.gz TUIOBIPDCPRRHV-OAHLLOKOSA-N 2 2 288.395 1.219 20 30 CDEDLP C#C[C@](C)(CC)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001158742976 938658695 /nfs/dbraw/zinc/65/86/95/938658695.db2.gz OIAZNCVCWRBTPE-OAHLLOKOSA-N 2 2 258.369 1.705 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159527421 938738370 /nfs/dbraw/zinc/73/83/70/938738370.db2.gz MZUPWWGJOYACJQ-UHFFFAOYSA-N 2 2 270.764 1.191 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159527421 938738371 /nfs/dbraw/zinc/73/83/71/938738371.db2.gz MZUPWWGJOYACJQ-UHFFFAOYSA-N 2 2 270.764 1.191 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001163274952 939237840 /nfs/dbraw/zinc/23/78/40/939237840.db2.gz LJRPRTMXYDKIQV-OAHLLOKOSA-N 2 2 297.443 1.159 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001163274952 939237842 /nfs/dbraw/zinc/23/78/42/939237842.db2.gz LJRPRTMXYDKIQV-OAHLLOKOSA-N 2 2 297.443 1.159 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166401555 939607881 /nfs/dbraw/zinc/60/78/81/939607881.db2.gz GPHGQGMHOOEJFQ-LBPRGKRZSA-N 2 2 276.384 1.502 20 30 CDEDLP C[NH+]1CCC(C[N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001207395851 940188588 /nfs/dbraw/zinc/18/85/88/940188588.db2.gz YPCJSIKPLCFRSA-ZDUSSCGKSA-N 2 2 266.410 1.602 20 30 CDEDLP C[NH+]1CCC(C[N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001207395851 940188589 /nfs/dbraw/zinc/18/85/89/940188589.db2.gz YPCJSIKPLCFRSA-ZDUSSCGKSA-N 2 2 266.410 1.602 20 30 CDEDLP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001207395851 940188591 /nfs/dbraw/zinc/18/85/91/940188591.db2.gz YPCJSIKPLCFRSA-ZDUSSCGKSA-N 2 2 266.410 1.602 20 30 CDEDLP C[NH+]1CCC(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001207395851 940188593 /nfs/dbraw/zinc/18/85/93/940188593.db2.gz YPCJSIKPLCFRSA-ZDUSSCGKSA-N 2 2 266.410 1.602 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305413 940681422 /nfs/dbraw/zinc/68/14/22/940681422.db2.gz XLQRCGQFZWHKHI-CYBMUJFWSA-N 2 2 276.384 1.499 20 30 CDEDLP COCCOC[NH+]1CC2(C1)CC[NH+](CCCCC#N)CC2 ZINC001277949244 944174828 /nfs/dbraw/zinc/17/48/28/944174828.db2.gz UYXDXFVDGKEGMI-UHFFFAOYSA-N 2 2 295.427 1.699 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237415915 944765016 /nfs/dbraw/zinc/76/50/16/944765016.db2.gz PBAWOFNNNRJPAA-DZGCQCFKSA-N 2 2 271.364 1.838 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237415915 944765027 /nfs/dbraw/zinc/76/50/27/944765027.db2.gz PBAWOFNNNRJPAA-DZGCQCFKSA-N 2 2 271.364 1.838 20 30 CDEDLP C=C1C[C@@H]2CC([NH2+][C@@H]3C[NH2+]C[C@H]3C(=O)OCC)C[C@H](C1)C2 ZINC001246299012 948092593 /nfs/dbraw/zinc/09/25/93/948092593.db2.gz GWCYYGKVKZYTKT-GZNJTBKBSA-N 2 2 292.423 1.862 20 30 CDEDLP CC(C)(C)c1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c(C#N)c1 ZINC001249129615 949418058 /nfs/dbraw/zinc/41/80/58/949418058.db2.gz OTTGTACHGPUGDD-GFCCVEGCSA-N 2 2 299.378 1.734 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001252596381 951490808 /nfs/dbraw/zinc/49/08/08/951490808.db2.gz PZQWKQAGFXPPDK-OAHLLOKOSA-N 2 2 264.413 1.731 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001252596381 951490815 /nfs/dbraw/zinc/49/08/15/951490815.db2.gz PZQWKQAGFXPPDK-OAHLLOKOSA-N 2 2 264.413 1.731 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001253186400 951785425 /nfs/dbraw/zinc/78/54/25/951785425.db2.gz OJWRKTOHRMDXCQ-INIZCTEOSA-N 2 2 275.396 1.693 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001253186400 951785435 /nfs/dbraw/zinc/78/54/35/951785435.db2.gz OJWRKTOHRMDXCQ-INIZCTEOSA-N 2 2 275.396 1.693 20 30 CDEDLP C#C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308882592 956593420 /nfs/dbraw/zinc/59/34/20/956593420.db2.gz LDDRDGOETBICKE-IAGOWNOFSA-N 2 2 284.403 1.767 20 30 CDEDLP C#C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308882592 956593425 /nfs/dbraw/zinc/59/34/25/956593425.db2.gz LDDRDGOETBICKE-IAGOWNOFSA-N 2 2 284.403 1.767 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001420419132 962888404 /nfs/dbraw/zinc/88/84/04/962888404.db2.gz ATPKUAQWEOFPHW-GFCCVEGCSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001420419132 962888411 /nfs/dbraw/zinc/88/84/11/962888411.db2.gz ATPKUAQWEOFPHW-GFCCVEGCSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001420419132 962888422 /nfs/dbraw/zinc/88/84/22/962888422.db2.gz ATPKUAQWEOFPHW-GFCCVEGCSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001438718347 963532627 /nfs/dbraw/zinc/53/26/27/963532627.db2.gz YQUBDLZUGZJLDB-SNVBAGLBSA-N 2 2 284.791 1.450 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)CC[N@@H+](C)CC ZINC001496816247 973108259 /nfs/dbraw/zinc/10/82/59/973108259.db2.gz GNJXRFOMEFVTRG-UHFFFAOYSA-N 2 2 275.824 1.471 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)CC[N@H+](C)CC ZINC001496816247 973108264 /nfs/dbraw/zinc/10/82/64/973108264.db2.gz GNJXRFOMEFVTRG-UHFFFAOYSA-N 2 2 275.824 1.471 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)CC ZINC001496816247 973108267 /nfs/dbraw/zinc/10/82/67/973108267.db2.gz GNJXRFOMEFVTRG-UHFFFAOYSA-N 2 2 275.824 1.471 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)CC ZINC001496816247 973108272 /nfs/dbraw/zinc/10/82/72/973108272.db2.gz GNJXRFOMEFVTRG-UHFFFAOYSA-N 2 2 275.824 1.471 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378547907 975389321 /nfs/dbraw/zinc/38/93/21/975389321.db2.gz CGYIWLLARRITRQ-LBPRGKRZSA-N 2 2 299.846 1.517 20 30 CDEDLP C=CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457727 1163300034 /nfs/dbraw/zinc/30/00/34/1163300034.db2.gz MIYFYRSUBNPBIN-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457727 1163300040 /nfs/dbraw/zinc/30/00/40/1163300040.db2.gz MIYFYRSUBNPBIN-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP CC1(C)C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC001576457786 1171425979 /nfs/dbraw/zinc/42/59/79/1171425979.db2.gz NEPFCKMWAGZQAC-OAHLLOKOSA-N 2 2 273.380 1.996 20 30 CDEDLP CC1(C)C[N@@H+](CCCOc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC001576457786 1171425980 /nfs/dbraw/zinc/42/59/80/1171425980.db2.gz NEPFCKMWAGZQAC-OAHLLOKOSA-N 2 2 273.380 1.996 20 30 CDEDLP CN(C(=O)CCCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589708187 342512850 /nfs/dbraw/zinc/51/28/50/342512850.db2.gz RAWDFXKQJCKDKT-OAHLLOKOSA-N 2 2 292.427 1.307 20 30 CDEDLP CN(C(=O)CCCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589708187 342512851 /nfs/dbraw/zinc/51/28/51/342512851.db2.gz RAWDFXKQJCKDKT-OAHLLOKOSA-N 2 2 292.427 1.307 20 30 CDEDLP C[NH+]1CCC(C#N)(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000609460082 342552492 /nfs/dbraw/zinc/55/24/92/342552492.db2.gz QCIQQQMCUXQXDU-UHFFFAOYSA-N 2 2 283.335 1.052 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598724139 343885251 /nfs/dbraw/zinc/88/52/51/343885251.db2.gz IVONPBKAJWSGRY-BNOWGMLFSA-N 2 2 265.401 1.359 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598724139 343885255 /nfs/dbraw/zinc/88/52/55/343885255.db2.gz IVONPBKAJWSGRY-BNOWGMLFSA-N 2 2 265.401 1.359 20 30 CDEDLP Cc1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)ccc1C#N ZINC000599019611 343940367 /nfs/dbraw/zinc/94/03/67/343940367.db2.gz SICKNXYGPNSZCI-HNNXBMFYSA-N 2 2 259.353 1.023 20 30 CDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000602623820 344500694 /nfs/dbraw/zinc/50/06/94/344500694.db2.gz REIFYRHVAPHZGQ-KBPBESRZSA-N 2 2 288.395 1.886 20 30 CDEDLP COC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000618571565 345056128 /nfs/dbraw/zinc/05/61/28/345056128.db2.gz JYYSYUAOPCVWFY-KBPBESRZSA-N 2 2 265.401 1.769 20 30 CDEDLP CC[N@H+](CCO)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449251055 362638437 /nfs/dbraw/zinc/63/84/37/362638437.db2.gz QLMFSYQSFAPNRX-UHFFFAOYSA-N 2 2 253.390 1.363 20 30 CDEDLP CC[N@@H+](CCO)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449251055 362638439 /nfs/dbraw/zinc/63/84/39/362638439.db2.gz QLMFSYQSFAPNRX-UHFFFAOYSA-N 2 2 253.390 1.363 20 30 CDEDLP C=CCOc1cccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c1 ZINC000623756934 346047280 /nfs/dbraw/zinc/04/72/80/346047280.db2.gz JUGZNQZEWATJFJ-OAHLLOKOSA-N 2 2 276.380 1.408 20 30 CDEDLP C=CCOc1cccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000623756934 346047284 /nfs/dbraw/zinc/04/72/84/346047284.db2.gz JUGZNQZEWATJFJ-OAHLLOKOSA-N 2 2 276.380 1.408 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449397376 362693913 /nfs/dbraw/zinc/69/39/13/362693913.db2.gz PXQHIOOPVXVCTQ-MGPQQGTHSA-N 2 2 251.374 1.115 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449397376 362693920 /nfs/dbraw/zinc/69/39/20/362693920.db2.gz PXQHIOOPVXVCTQ-MGPQQGTHSA-N 2 2 251.374 1.115 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000619722533 348215467 /nfs/dbraw/zinc/21/54/67/348215467.db2.gz LZFNLILJIKQIRK-CYBMUJFWSA-N 2 2 279.384 1.885 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000311991746 350737080 /nfs/dbraw/zinc/73/70/80/350737080.db2.gz QAZVHJMMNRCTQG-HNNXBMFYSA-N 2 2 259.353 1.103 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000311991746 350737081 /nfs/dbraw/zinc/73/70/81/350737081.db2.gz QAZVHJMMNRCTQG-HNNXBMFYSA-N 2 2 259.353 1.103 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569963 363021436 /nfs/dbraw/zinc/02/14/36/363021436.db2.gz ZPDIYLLONFTNQC-DCAQKATOSA-N 2 2 293.333 1.136 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569963 363021438 /nfs/dbraw/zinc/02/14/38/363021438.db2.gz ZPDIYLLONFTNQC-DCAQKATOSA-N 2 2 293.333 1.136 20 30 CDEDLP Cc1nc(NCC[NH+]2CCC([NH+](C)C)CC2)ccc1C#N ZINC000291966547 198119810 /nfs/dbraw/zinc/11/98/10/198119810.db2.gz OOAGMGNWANMEMB-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000269766314 359375911 /nfs/dbraw/zinc/37/59/11/359375911.db2.gz FQRUPMMJLZBUGJ-MRXNPFEDSA-N 2 2 276.380 1.101 20 30 CDEDLP C[N@@H+](Cc1ccc(C#N)cn1)C[C@H]1CCC[NH+](C)C1 ZINC000566413635 360123530 /nfs/dbraw/zinc/12/35/30/360123530.db2.gz HADCUTZOUKJWRC-AWEZNQCLSA-N 2 2 258.369 1.727 20 30 CDEDLP C[N@H+](Cc1ccc(C#N)cn1)C[C@H]1CCC[NH+](C)C1 ZINC000566413635 360123532 /nfs/dbraw/zinc/12/35/32/360123532.db2.gz HADCUTZOUKJWRC-AWEZNQCLSA-N 2 2 258.369 1.727 20 30 CDEDLP C[NH+](Cc1ccc(C#N)cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000566413635 360123533 /nfs/dbraw/zinc/12/35/33/360123533.db2.gz HADCUTZOUKJWRC-AWEZNQCLSA-N 2 2 258.369 1.727 20 30 CDEDLP C[NH+](Cc1ccc(C#N)cn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000566413635 360123534 /nfs/dbraw/zinc/12/35/34/360123534.db2.gz HADCUTZOUKJWRC-AWEZNQCLSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C[C@@H](C)C#N ZINC000157634648 360939308 /nfs/dbraw/zinc/93/93/08/360939308.db2.gz WGCPTBGXWKMSKP-ZDUSSCGKSA-N 2 2 280.416 1.068 20 30 CDEDLP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)C[C@@H](C)C#N ZINC000157634648 360939312 /nfs/dbraw/zinc/93/93/12/360939312.db2.gz WGCPTBGXWKMSKP-ZDUSSCGKSA-N 2 2 280.416 1.068 20 30 CDEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC(C)(C)CCC#N)C[C@@H](C)O1 ZINC000572476702 361026832 /nfs/dbraw/zinc/02/68/32/361026832.db2.gz CIUSFMRMWZVXBH-KFWWJZLASA-N 2 2 297.443 1.376 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000353573036 365306405 /nfs/dbraw/zinc/30/64/05/365306405.db2.gz GXHZGBCYOHKGQC-IMJJTQAJSA-N 2 2 260.381 1.958 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353573036 365306414 /nfs/dbraw/zinc/30/64/14/365306414.db2.gz GXHZGBCYOHKGQC-IMJJTQAJSA-N 2 2 260.381 1.958 20 30 CDEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000305118841 367049352 /nfs/dbraw/zinc/04/93/52/367049352.db2.gz LSQLIZZBRKNJGA-HIFRSBDPSA-N 2 2 262.353 1.862 20 30 CDEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000305118841 367049359 /nfs/dbraw/zinc/04/93/59/367049359.db2.gz LSQLIZZBRKNJGA-HIFRSBDPSA-N 2 2 262.353 1.862 20 30 CDEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000330891053 203357912 /nfs/dbraw/zinc/35/79/12/203357912.db2.gz WUSLXTKGSRZCCK-SWLSCSKDSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000330891053 203357916 /nfs/dbraw/zinc/35/79/16/203357916.db2.gz WUSLXTKGSRZCCK-SWLSCSKDSA-N 2 2 259.353 1.275 20 30 CDEDLP COc1cc(C#N)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193613879 375877732 /nfs/dbraw/zinc/87/77/32/375877732.db2.gz MRTUAIRRLWWERX-GASCZTMLSA-N 2 2 271.364 1.560 20 30 CDEDLP COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193613879 375877739 /nfs/dbraw/zinc/87/77/39/375877739.db2.gz MRTUAIRRLWWERX-GASCZTMLSA-N 2 2 271.364 1.560 20 30 CDEDLP COc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193613879 375877745 /nfs/dbraw/zinc/87/77/45/375877745.db2.gz MRTUAIRRLWWERX-GASCZTMLSA-N 2 2 271.364 1.560 20 30 CDEDLP COc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193613879 375877751 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CN(C)C(=[NH+]C[C@H](c1cccs1)[NH+](C)C)N(C)C ZINC000262200745 391043021 /nfs/dbraw/zinc/04/30/21/391043021.db2.gz DASXBPMOFVCUHZ-LLVKDONJSA-N 2 2 268.430 1.830 20 30 CDEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)N1CCCCC1 ZINC000303891290 391139178 /nfs/dbraw/zinc/13/91/78/391139178.db2.gz QOPYBZKGGMAEQC-UHFFFAOYSA-N 2 2 292.452 1.907 20 30 CDEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)N1CCCCC1 ZINC000303891290 391139180 /nfs/dbraw/zinc/13/91/80/391139180.db2.gz QOPYBZKGGMAEQC-UHFFFAOYSA-N 2 2 292.452 1.907 20 30 CDEDLP C#CC[NH+]1CCC(c2nc([C@@H]([NH3+])CC(C)C)no2)CC1 ZINC000491543069 391155864 /nfs/dbraw/zinc/15/58/64/391155864.db2.gz FCMDRLOLNAXVDH-ZDUSSCGKSA-N 2 2 276.384 1.928 20 30 CDEDLP C[N@H+](CCC(C)(C)C#N)C1CC[NH+](CCO)CC1 ZINC000345765935 391311442 /nfs/dbraw/zinc/31/14/42/391311442.db2.gz XUTJEIFVMSAKMJ-UHFFFAOYSA-N 2 2 253.390 1.315 20 30 CDEDLP C[N@@H+](CCC(C)(C)C#N)C1CC[NH+](CCO)CC1 ZINC000345765935 391311445 /nfs/dbraw/zinc/31/14/45/391311445.db2.gz XUTJEIFVMSAKMJ-UHFFFAOYSA-N 2 2 253.390 1.315 20 30 CDEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421345186 392930735 /nfs/dbraw/zinc/93/07/35/392930735.db2.gz QWCVTRGCYNTVCZ-CYBMUJFWSA-N 2 2 291.370 1.898 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H]2CC[N@@H+](CCC)C2)nn1 ZINC000657326785 414174072 /nfs/dbraw/zinc/17/40/72/414174072.db2.gz XIYDPHGCAJWEQH-CQSZACIVSA-N 2 2 277.416 1.676 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@H]2CC[N@H+](CCC)C2)nn1 ZINC000657326785 414174080 /nfs/dbraw/zinc/17/40/80/414174080.db2.gz XIYDPHGCAJWEQH-CQSZACIVSA-N 2 2 277.416 1.676 20 30 CDEDLP C=CCC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655773897 424547661 /nfs/dbraw/zinc/54/76/61/424547661.db2.gz KJFOZZRVLASVSM-CABCVRRESA-N 2 2 268.401 1.156 20 30 CDEDLP N#C[C@H]1CCC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC000333302723 294839282 /nfs/dbraw/zinc/83/92/82/294839282.db2.gz QJPPRSGLTMGERL-KBPBESRZSA-N 2 2 285.395 1.985 20 30 CDEDLP COCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000266998103 328171151 /nfs/dbraw/zinc/17/11/51/328171151.db2.gz FWNBLZVNEUSQSW-UHFFFAOYSA-N 2 2 251.330 1.032 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564845617 327009368 /nfs/dbraw/zinc/00/93/68/327009368.db2.gz VEVQXHDSRXSTRP-MRXNPFEDSA-N 3 2 281.444 1.072 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000564845617 327009369 /nfs/dbraw/zinc/00/93/69/327009369.db2.gz VEVQXHDSRXSTRP-MRXNPFEDSA-N 3 2 281.444 1.072 20 30 CDEDLP CC[C@H](CC#N)[NH2+]CC1(C[NH2+][C@H](CC)CC#N)COC1 ZINC000569588749 327201546 /nfs/dbraw/zinc/20/15/46/327201546.db2.gz DNCPFQQSQTVSNG-ZIAGYGMSSA-N 2 2 278.400 1.567 20 30 CDEDLP N#CC1CCC(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000572951292 327527347 /nfs/dbraw/zinc/52/73/47/327527347.db2.gz ALFFBGAQXISLTI-GMEATFMZSA-N 2 2 277.412 1.673 20 30 CDEDLP C[C@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)C[NH+](C)C ZINC000520797787 329789237 /nfs/dbraw/zinc/78/92/37/329789237.db2.gz JUUWCYFZECNDDJ-STQMWFEESA-N 2 2 250.390 1.996 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000568020205 334785200 /nfs/dbraw/zinc/78/52/00/334785200.db2.gz QOIISOMEKAILAB-CQSZACIVSA-N 2 2 290.411 1.991 20 30 CDEDLP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001755236790 1159809688 /nfs/dbraw/zinc/80/96/88/1159809688.db2.gz JCCMGIRGGYLVDW-RYUDHWBXSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001755236790 1159809693 /nfs/dbraw/zinc/80/96/93/1159809693.db2.gz JCCMGIRGGYLVDW-RYUDHWBXSA-N 2 2 264.373 1.401 20 30 CDEDLP C#CCNC(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000733796009 575139635 /nfs/dbraw/zinc/13/96/35/575139635.db2.gz XQTXJPMNOFECHM-HOTGVXAUSA-N 2 2 291.439 1.322 20 30 CDEDLP C#CCNC(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000733796009 575139637 /nfs/dbraw/zinc/13/96/37/575139637.db2.gz XQTXJPMNOFECHM-HOTGVXAUSA-N 2 2 291.439 1.322 20 30 CDEDLP C#CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733796009 575139639 /nfs/dbraw/zinc/13/96/39/575139639.db2.gz XQTXJPMNOFECHM-HOTGVXAUSA-N 2 2 291.439 1.322 20 30 CDEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733796009 575139640 /nfs/dbraw/zinc/13/96/40/575139640.db2.gz XQTXJPMNOFECHM-HOTGVXAUSA-N 2 2 291.439 1.322 20 30 CDEDLP CC(C)O[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000761848357 576597744 /nfs/dbraw/zinc/59/77/44/576597744.db2.gz GQXVFBFSXFPFNJ-UHFFFAOYSA-N 2 2 277.368 1.564 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC2CCCCC2)CC1 ZINC000748814559 576926205 /nfs/dbraw/zinc/92/62/05/576926205.db2.gz BRFRZQWFCAAVIA-UHFFFAOYSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC2CCCCC2)CC1 ZINC000748814559 576926206 /nfs/dbraw/zinc/92/62/06/576926206.db2.gz BRFRZQWFCAAVIA-UHFFFAOYSA-N 2 2 291.439 1.276 20 30 CDEDLP C[N@@H+]1CCCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000758120970 577072582 /nfs/dbraw/zinc/07/25/82/577072582.db2.gz XDYJEAIHQTWABW-CHWSQXEVSA-N 2 2 263.389 1.318 20 30 CDEDLP C[N@H+]1CCCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000758120970 577072585 /nfs/dbraw/zinc/07/25/85/577072585.db2.gz XDYJEAIHQTWABW-CHWSQXEVSA-N 2 2 263.389 1.318 20 30 CDEDLP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812971 613007092 /nfs/dbraw/zinc/00/70/92/613007092.db2.gz PMHFTBMBUJDIPS-OAHLLOKOSA-N 2 2 288.395 1.288 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812971 613007094 /nfs/dbraw/zinc/00/70/94/613007094.db2.gz PMHFTBMBUJDIPS-OAHLLOKOSA-N 2 2 288.395 1.288 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450494 613234608 /nfs/dbraw/zinc/23/46/08/613234608.db2.gz VLTLJUPNNCHPJS-TZMCWYRMSA-N 2 2 296.374 1.779 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450494 613234609 /nfs/dbraw/zinc/23/46/09/613234609.db2.gz VLTLJUPNNCHPJS-TZMCWYRMSA-N 2 2 296.374 1.779 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945808052 613266690 /nfs/dbraw/zinc/26/66/90/613266690.db2.gz NIHKUTZWIQORTL-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945808052 613266692 /nfs/dbraw/zinc/26/66/92/613266692.db2.gz NIHKUTZWIQORTL-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)C[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982051438 613308309 /nfs/dbraw/zinc/30/83/09/613308309.db2.gz MZYHYOOUHFEERP-OAHLLOKOSA-N 2 2 290.411 1.945 20 30 CDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982051438 613308310 /nfs/dbraw/zinc/30/83/10/613308310.db2.gz MZYHYOOUHFEERP-OAHLLOKOSA-N 2 2 290.411 1.945 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939541538 613349828 /nfs/dbraw/zinc/34/98/28/613349828.db2.gz OJCZNPNKACDHQO-CHWSQXEVSA-N 2 2 290.411 1.700 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977588145 613380014 /nfs/dbraw/zinc/38/00/14/613380014.db2.gz LZLFJDDFZSVDEL-QWHCGFSZSA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977588145 613380015 /nfs/dbraw/zinc/38/00/15/613380015.db2.gz LZLFJDDFZSVDEL-QWHCGFSZSA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588145 613380016 /nfs/dbraw/zinc/38/00/16/613380016.db2.gz LZLFJDDFZSVDEL-QWHCGFSZSA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588145 613380017 /nfs/dbraw/zinc/38/00/17/613380017.db2.gz LZLFJDDFZSVDEL-QWHCGFSZSA-N 2 2 299.846 1.517 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000972515755 613632732 /nfs/dbraw/zinc/63/27/32/613632732.db2.gz BQHKVCOABYEFHL-OCCSQVGLSA-N 2 2 276.384 1.307 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000972515755 613632733 /nfs/dbraw/zinc/63/27/33/613632733.db2.gz BQHKVCOABYEFHL-OCCSQVGLSA-N 2 2 276.384 1.307 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000972515755 613632735 /nfs/dbraw/zinc/63/27/35/613632735.db2.gz BQHKVCOABYEFHL-OCCSQVGLSA-N 2 2 276.384 1.307 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000972515755 613632736 /nfs/dbraw/zinc/63/27/36/613632736.db2.gz BQHKVCOABYEFHL-OCCSQVGLSA-N 2 2 276.384 1.307 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981485693 613692244 /nfs/dbraw/zinc/69/22/44/613692244.db2.gz GMRPFFFFZNCBRT-CQSZACIVSA-N 2 2 288.395 1.166 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981485693 613692248 /nfs/dbraw/zinc/69/22/48/613692248.db2.gz GMRPFFFFZNCBRT-CQSZACIVSA-N 2 2 288.395 1.166 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000894638506 619000204 /nfs/dbraw/zinc/00/02/04/619000204.db2.gz CPEWCAAZKCTMSV-UHFFFAOYSA-N 2 2 260.385 1.342 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000894638506 619000206 /nfs/dbraw/zinc/00/02/06/619000206.db2.gz CPEWCAAZKCTMSV-UHFFFAOYSA-N 2 2 260.385 1.342 20 30 CDEDLP O=C1[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCN1O ZINC000895166969 619396851 /nfs/dbraw/zinc/39/68/51/619396851.db2.gz VVGDQPADGSRYAL-AWEZNQCLSA-N 2 2 286.335 1.342 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001131822158 1163064701 /nfs/dbraw/zinc/06/47/01/1163064701.db2.gz KGVQZTZYMWYCIE-OAHLLOKOSA-N 2 2 297.443 1.159 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001131822158 1163064709 /nfs/dbraw/zinc/06/47/09/1163064709.db2.gz KGVQZTZYMWYCIE-OAHLLOKOSA-N 2 2 297.443 1.159 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113353104 1162161725 /nfs/dbraw/zinc/16/17/25/1162161725.db2.gz MHMRDXYYDJBOCI-UHFFFAOYSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113353104 1162161730 /nfs/dbraw/zinc/16/17/30/1162161730.db2.gz MHMRDXYYDJBOCI-UHFFFAOYSA-N 2 2 281.444 1.685 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174683192 1164301483 /nfs/dbraw/zinc/30/14/83/1164301483.db2.gz PDTMIAJWZINOLC-LBPRGKRZSA-N 2 2 278.400 1.711 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521134 1167211036 /nfs/dbraw/zinc/21/10/36/1167211036.db2.gz FUIJIHJKRPCYHQ-ZIAGYGMSSA-N 2 2 278.400 1.847 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521134 1167211042 /nfs/dbraw/zinc/21/10/42/1167211042.db2.gz FUIJIHJKRPCYHQ-ZIAGYGMSSA-N 2 2 278.400 1.847 20 30 CDEDLP C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001574757603 1171005865 /nfs/dbraw/zinc/00/58/65/1171005865.db2.gz VQCNERIRGDLOHL-SFHVURJKSA-N 2 2 297.402 1.824 20 30 CDEDLP C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001574757603 1171005871 /nfs/dbraw/zinc/00/58/71/1171005871.db2.gz VQCNERIRGDLOHL-SFHVURJKSA-N 2 2 297.402 1.824 20 30 CDEDLP C=CCOC[C@@H]([NH2+]CC1(CCC)CC[NH2+]CC1)C(=O)OC ZINC001574944053 1171056396 /nfs/dbraw/zinc/05/63/96/1171056396.db2.gz VRMRUUSBDUMLCO-CQSZACIVSA-N 2 2 298.427 1.490 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001715006454 1179504884 /nfs/dbraw/zinc/50/48/84/1179504884.db2.gz PENNCMJLUCDGAH-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001715006454 1179504888 /nfs/dbraw/zinc/50/48/88/1179504888.db2.gz PENNCMJLUCDGAH-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001752394383 1184859417 /nfs/dbraw/zinc/85/94/17/1184859417.db2.gz JDIWRLXLSMUQGX-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001752394383 1184859421 /nfs/dbraw/zinc/85/94/21/1184859421.db2.gz JDIWRLXLSMUQGX-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001752493774 1184872249 /nfs/dbraw/zinc/87/22/49/1184872249.db2.gz IXUFWVPPXDKXKP-AWEZNQCLSA-N 2 2 276.384 1.321 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001753460977 1185219987 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C#C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000848913021 751367217 /nfs/dbraw/zinc/36/72/17/751367217.db2.gz ZOYXMUDAYWJRKN-GJZGRUSLSA-N 2 2 264.413 1.877 20 30 CDEDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925892657 753016323 /nfs/dbraw/zinc/01/63/23/753016323.db2.gz DEBUADVJWKFSGC-LBPRGKRZSA-N 2 2 259.357 1.095 20 30 CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001074867902 751790042 /nfs/dbraw/zinc/79/00/42/751790042.db2.gz QZDWRNXIOIFSPI-XQQFMLRXSA-N 2 2 286.379 1.042 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001022310836 751793452 /nfs/dbraw/zinc/79/34/52/751793452.db2.gz KBSWDFKUZXDXKE-MELADBBJSA-N 2 2 288.395 1.258 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015780379 752018709 /nfs/dbraw/zinc/01/87/09/752018709.db2.gz CQYWLTGOOSWKCO-AWEZNQCLSA-N 2 2 288.395 1.220 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015780379 752018714 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Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1C#N ZINC000931276747 750879957 /nfs/dbraw/zinc/87/99/57/750879957.db2.gz CXTKLWXGWCAQOG-ZSHCYNCHSA-N 2 2 255.365 1.859 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000987441016 750958939 /nfs/dbraw/zinc/95/89/39/750958939.db2.gz NXUSDSGPSHGZBP-OCCSQVGLSA-N 2 2 276.384 1.118 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000848546159 751331880 /nfs/dbraw/zinc/33/18/80/751331880.db2.gz UCZGBYCKTXKDJB-IXDOHACOSA-N 2 2 292.423 1.400 20 30 CDEDLP C[C@H]1CNC(NN=C2C[N@H+](Cc3ccccc3)CC[C@H]2C)=[NH+]1 ZINC000779799900 752832311 /nfs/dbraw/zinc/83/23/11/752832311.db2.gz YLGYINKUADOTES-KGLIPLIRSA-N 2 2 299.422 1.822 20 30 CDEDLP C[C@H]1CNC(NN=C2C[N@@H+](Cc3ccccc3)CC[C@H]2C)=[NH+]1 ZINC000779799900 752832314 /nfs/dbraw/zinc/83/23/14/752832314.db2.gz YLGYINKUADOTES-KGLIPLIRSA-N 2 2 299.422 1.822 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001036228382 752899756 /nfs/dbraw/zinc/89/97/56/752899756.db2.gz BXMCAKWFSNODGF-PWSUYJOCSA-N 2 2 296.802 1.531 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014729014 752947456 /nfs/dbraw/zinc/94/74/56/752947456.db2.gz PEYDLQPESJTRSZ-QWHCGFSZSA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014729014 752947468 /nfs/dbraw/zinc/94/74/68/752947468.db2.gz PEYDLQPESJTRSZ-QWHCGFSZSA-N 2 2 274.368 1.137 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996458964 753015400 /nfs/dbraw/zinc/01/54/00/753015400.db2.gz YGPVTAZVTPCGHE-GFCCVEGCSA-N 2 2 276.384 1.355 20 30 CDEDLP C#CC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021152 753164434 /nfs/dbraw/zinc/16/44/34/753164434.db2.gz DSCGWAKEGHBZGJ-CQSZACIVSA-N 2 2 286.379 1.002 20 30 CDEDLP C#CC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021152 753164439 /nfs/dbraw/zinc/16/44/39/753164439.db2.gz DSCGWAKEGHBZGJ-CQSZACIVSA-N 2 2 286.379 1.002 20 30 CDEDLP C=C(C)CC[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004054679 753811524 /nfs/dbraw/zinc/81/15/24/753811524.db2.gz ZDZDBJLLUUAXHS-UHFFFAOYSA-N 2 2 290.411 1.807 20 30 CDEDLP C=CCCC[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331445 895295238 /nfs/dbraw/zinc/29/52/38/895295238.db2.gz LUSOWPZKNALZNM-UHFFFAOYSA-N 2 2 290.411 1.795 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480964529 898398602 /nfs/dbraw/zinc/39/86/02/898398602.db2.gz BARFXRWHAJQKKD-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480964529 898398612 /nfs/dbraw/zinc/39/86/12/898398612.db2.gz BARFXRWHAJQKKD-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480964529 898398617 /nfs/dbraw/zinc/39/86/17/898398617.db2.gz BARFXRWHAJQKKD-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480964529 898398628 /nfs/dbraw/zinc/39/86/28/898398628.db2.gz BARFXRWHAJQKKD-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP CCCCCCC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135064 898676377 /nfs/dbraw/zinc/67/63/77/898676377.db2.gz OSDZYPCMJRSKEU-UHFFFAOYSA-N 2 2 280.416 1.937 20 30 CDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829621 914281839 /nfs/dbraw/zinc/28/18/39/914281839.db2.gz OUBSAJPMBYECDI-ZDUSSCGKSA-N 2 2 264.373 1.334 20 30 CDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104729387 898926773 /nfs/dbraw/zinc/92/67/73/898926773.db2.gz VATLNTVWZGSDJX-CHWSQXEVSA-N 2 2 276.384 1.212 20 30 CDEDLP N#CCCCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220191889 899496574 /nfs/dbraw/zinc/49/65/74/899496574.db2.gz SDPIXATXMSALKN-ZDUSSCGKSA-N 2 2 260.341 1.069 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[NH2+]CC3)c2c1 ZINC001204667554 901124099 /nfs/dbraw/zinc/12/40/99/901124099.db2.gz MQEOPJASSJWGKZ-UHFFFAOYSA-N 2 2 254.337 1.835 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@H+]3CCC[NH2+]CC3)c2c1 ZINC001204667554 901124105 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1.497 20 30 CDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141609 915747051 /nfs/dbraw/zinc/74/70/51/915747051.db2.gz DENIJYYCLPWVDP-KBPBESRZSA-N 2 2 296.374 1.550 20 30 CDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180007422 916122283 /nfs/dbraw/zinc/12/22/83/916122283.db2.gz WXZPKYDUQJOWPP-STQMWFEESA-N 2 2 276.384 1.416 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180279602 916252336 /nfs/dbraw/zinc/25/23/36/916252336.db2.gz HBTRIFCUOWKOLE-KBPBESRZSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052972772 936407184 /nfs/dbraw/zinc/40/71/84/936407184.db2.gz VPQZAJDEPLHGGH-ZDUSSCGKSA-N 2 2 296.802 1.606 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052972772 936407186 /nfs/dbraw/zinc/40/71/86/936407186.db2.gz VPQZAJDEPLHGGH-ZDUSSCGKSA-N 2 2 296.802 1.606 20 30 CDEDLP CC[NH+](CC)CCSC=C(O)NC1=[NH+]CCS1 ZINC000072824977 917924480 /nfs/dbraw/zinc/92/44/80/917924480.db2.gz SYNZYFDJPYNTOM-UHFFFAOYSA-N 2 2 275.443 1.280 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185790195 919753115 /nfs/dbraw/zinc/75/31/15/919753115.db2.gz YLOCZNLLRIIBQP-KBPBESRZSA-N 2 2 276.384 1.143 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999775156 919788068 /nfs/dbraw/zinc/78/80/68/919788068.db2.gz JXGFWOFBHHVJTI-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001140545832 936723361 /nfs/dbraw/zinc/72/33/61/936723361.db2.gz MMJBDBULLWSWJM-UHFFFAOYSA-N 2 2 253.309 1.208 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001140545832 936723363 /nfs/dbraw/zinc/72/33/63/936723363.db2.gz MMJBDBULLWSWJM-UHFFFAOYSA-N 2 2 253.309 1.208 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCCO1 ZINC000775573632 923443543 /nfs/dbraw/zinc/44/35/43/923443543.db2.gz IKDHAANXMSVHPW-LSDHHAIUSA-N 2 2 250.386 1.630 20 30 CDEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071471 936955772 /nfs/dbraw/zinc/95/57/72/936955772.db2.gz JYHHXPKLVHEGAA-NFOMZHRRSA-N 2 2 290.411 1.722 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084395066 925253984 /nfs/dbraw/zinc/25/39/84/925253984.db2.gz CXRAQQPNIGJCDI-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084395066 925253991 /nfs/dbraw/zinc/25/39/91/925253991.db2.gz CXRAQQPNIGJCDI-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084395066 925254000 /nfs/dbraw/zinc/25/40/00/925254000.db2.gz CXRAQQPNIGJCDI-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084395066 925254009 /nfs/dbraw/zinc/25/40/09/925254009.db2.gz CXRAQQPNIGJCDI-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC ZINC001085646973 926243222 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C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134745497 929882732 /nfs/dbraw/zinc/88/27/32/929882732.db2.gz WFSIBRUMSAHYHT-STQMWFEESA-N 2 2 289.379 1.139 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153344754 937439772 /nfs/dbraw/zinc/43/97/72/937439772.db2.gz KBQHKKQLCLSYRP-UHFFFAOYSA-N 2 2 264.373 1.335 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154062338 937498493 /nfs/dbraw/zinc/49/84/93/937498493.db2.gz JTODHMFMHDCDQE-ZIAGYGMSSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154062338 937498494 /nfs/dbraw/zinc/49/84/94/937498494.db2.gz JTODHMFMHDCDQE-ZIAGYGMSSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274964666 931617564 /nfs/dbraw/zinc/61/75/64/931617564.db2.gz UABNHXZMOBBIAX-CVEARBPZSA-N 2 2 290.411 1.234 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274964666 931617567 /nfs/dbraw/zinc/61/75/67/931617567.db2.gz UABNHXZMOBBIAX-CVEARBPZSA-N 2 2 290.411 1.234 20 30 CDEDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001120590783 937814850 /nfs/dbraw/zinc/81/48/50/937814850.db2.gz QALWIZQUQABONT-CHWSQXEVSA-N 2 2 253.390 1.219 20 30 CDEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001120590783 937814852 /nfs/dbraw/zinc/81/48/52/937814852.db2.gz QALWIZQUQABONT-CHWSQXEVSA-N 2 2 253.390 1.219 20 30 CDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096435337 936086574 /nfs/dbraw/zinc/08/65/74/936086574.db2.gz XHWLAHAPBSFPGX-SNPRPXQTSA-N 2 2 286.379 1.005 20 30 CDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096435337 936086577 /nfs/dbraw/zinc/08/65/77/936086577.db2.gz XHWLAHAPBSFPGX-SNPRPXQTSA-N 2 2 286.379 1.005 20 30 CDEDLP N#C[C@H]1CCCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001160642926 938806311 /nfs/dbraw/zinc/80/63/11/938806311.db2.gz RUULSYYKJXKQDJ-BXUZGUMPSA-N 2 2 272.352 1.021 20 30 CDEDLP C#CCC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164335463 939457973 /nfs/dbraw/zinc/45/79/73/939457973.db2.gz VJYNESOAMXETNT-UHFFFAOYSA-N 2 2 288.395 1.242 20 30 CDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206683486 940078405 /nfs/dbraw/zinc/07/84/05/940078405.db2.gz JLQVMUAHPAOKQE-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210674353 940706170 /nfs/dbraw/zinc/70/61/70/940706170.db2.gz SYQCHULRJDQRQM-CYBMUJFWSA-N 2 2 290.411 1.844 20 30 CDEDLP N#Cc1cc(F)c(NC(=O)C2([NH3+])CC[NH2+]CC2)c(Cl)c1 ZINC001218994962 941299666 /nfs/dbraw/zinc/29/96/66/941299666.db2.gz NGQAAJBELFMSOL-UHFFFAOYSA-N 2 2 296.733 1.370 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222105671 941566307 /nfs/dbraw/zinc/56/63/07/941566307.db2.gz VWEYKINUPOVKGE-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235320407 944118801 /nfs/dbraw/zinc/11/88/01/944118801.db2.gz NLGNXHUDPASPTB-CQSZACIVSA-N 2 2 277.412 1.027 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235320407 944118805 /nfs/dbraw/zinc/11/88/05/944118805.db2.gz NLGNXHUDPASPTB-CQSZACIVSA-N 2 2 277.412 1.027 20 30 CDEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)C#N ZINC001318925428 958307221 /nfs/dbraw/zinc/30/72/21/958307221.db2.gz VQUZEDFEAWVTCE-SECBINFHSA-N 2 2 255.281 1.674 20 30 CDEDLP C[NH+](C)C(C)(C)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001335929707 960104882 /nfs/dbraw/zinc/10/48/82/960104882.db2.gz NSCNBBXFMULDPT-UHFFFAOYSA-N 2 2 288.395 1.817 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001438528628 963477927 /nfs/dbraw/zinc/47/79/27/963477927.db2.gz OFXCQWHQIFULKY-MNOVXSKESA-N 2 2 298.818 1.683 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001438528628 963477934 /nfs/dbraw/zinc/47/79/34/963477934.db2.gz OFXCQWHQIFULKY-MNOVXSKESA-N 2 2 298.818 1.683 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001418008642 973526057 /nfs/dbraw/zinc/52/60/57/973526057.db2.gz HMQSQBKCYHQYNF-ZDUSSCGKSA-N 2 2 296.802 1.200 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001418008641 973527467 /nfs/dbraw/zinc/52/74/67/973527467.db2.gz HMQSQBKCYHQYNF-CYBMUJFWSA-N 2 2 296.802 1.200 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001375514740 974409492 /nfs/dbraw/zinc/40/94/92/974409492.db2.gz TVDMJOBHZQYKRZ-PHIMTYICSA-N 2 2 282.775 1.189 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133134373 1163579453 /nfs/dbraw/zinc/57/94/53/1163579453.db2.gz DGGWLVDAZHDTTN-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133274465 1163623016 /nfs/dbraw/zinc/62/30/16/1163623016.db2.gz IKKRITFBQHNEGN-JSGCOSHPSA-N 2 2 290.411 1.521 20 30 CDEDLP C=CCC1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000625937034 342280370 /nfs/dbraw/zinc/28/03/70/342280370.db2.gz IBQCGNOOBLSJBR-UHFFFAOYSA-N 2 2 279.428 1.629 20 30 CDEDLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000595513533 343082602 /nfs/dbraw/zinc/08/26/02/343082602.db2.gz VOGHHARTUULLQD-CABCVRRESA-N 2 2 279.428 1.751 20 30 CDEDLP N#CC1CCC(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000572951289 362027446 /nfs/dbraw/zinc/02/74/46/362027446.db2.gz ALFFBGAQXISLTI-BCAXMMLOSA-N 2 2 277.412 1.673 20 30 CDEDLP [NH2+]=C(NCCCn1cc[nH+]c1)N[C@@H]1CCOc2ccccc21 ZINC000083029560 342376425 /nfs/dbraw/zinc/37/64/25/342376425.db2.gz ZQBRUMBMAHVYAR-CQSZACIVSA-N 2 2 299.378 1.701 20 30 CDEDLP C=CCCSCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000596650959 343371034 /nfs/dbraw/zinc/37/10/34/343371034.db2.gz MNNATPKOCFRTAC-QWHCGFSZSA-N 2 2 258.431 1.652 20 30 CDEDLP CO[C@H]1C[N@H+](CCc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888160 349889386 /nfs/dbraw/zinc/88/93/86/349889386.db2.gz ZCMLPFWXNIJSPB-CVEARBPZSA-N 2 2 273.380 1.539 20 30 CDEDLP CO[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888160 349889389 /nfs/dbraw/zinc/88/93/89/349889389.db2.gz ZCMLPFWXNIJSPB-CVEARBPZSA-N 2 2 273.380 1.539 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331839250 362341258 /nfs/dbraw/zinc/34/12/58/362341258.db2.gz GCTKHSXZVUYPOJ-KBPBESRZSA-N 2 2 280.416 1.163 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331839250 362341262 /nfs/dbraw/zinc/34/12/62/362341262.db2.gz GCTKHSXZVUYPOJ-KBPBESRZSA-N 2 2 280.416 1.163 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000602623823 344500856 /nfs/dbraw/zinc/50/08/56/344500856.db2.gz REIFYRHVAPHZGQ-ZIAGYGMSSA-N 2 2 288.395 1.886 20 30 CDEDLP N#CCC1(C[NH+]2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000602899476 344654024 /nfs/dbraw/zinc/65/40/24/344654024.db2.gz UQDKJFDZWDTGOX-UHFFFAOYSA-N 2 2 263.385 1.477 20 30 CDEDLP CC#CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000641767307 365830045 /nfs/dbraw/zinc/83/00/45/365830045.db2.gz IMILOMLTTIVSCO-QGZVFWFLSA-N 2 2 287.407 1.410 20 30 CDEDLP C[C@H](C[NH2+]Cc1cccc(C#N)n1)C[NH+]1CCCC1 ZINC000602517100 350117288 /nfs/dbraw/zinc/11/72/88/350117288.db2.gz BZDBGKWWDYBHJB-CYBMUJFWSA-N 2 2 258.369 1.775 20 30 CDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CC1)c1ccc(F)cc1 ZINC000264101581 362967170 /nfs/dbraw/zinc/96/71/70/362967170.db2.gz OFJXYKKTUIBBSY-ZDUSSCGKSA-N 2 2 264.348 1.495 20 30 CDEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC000311579283 350695494 /nfs/dbraw/zinc/69/54/94/350695494.db2.gz WOLWCFGBZCPPNT-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC000311579283 350695496 /nfs/dbraw/zinc/69/54/96/350695496.db2.gz WOLWCFGBZCPPNT-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000311579283 350695500 /nfs/dbraw/zinc/69/55/00/350695500.db2.gz WOLWCFGBZCPPNT-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000311579283 350695503 /nfs/dbraw/zinc/69/55/03/350695503.db2.gz WOLWCFGBZCPPNT-HNNXBMFYSA-N 2 2 256.353 1.481 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1=O ZINC000337187597 360031160 /nfs/dbraw/zinc/03/11/60/360031160.db2.gz PUIIZERDMBYLKG-JKSUJKDBSA-N 2 2 291.439 1.437 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1=O ZINC000337187597 360031165 /nfs/dbraw/zinc/03/11/65/360031165.db2.gz PUIIZERDMBYLKG-JKSUJKDBSA-N 2 2 291.439 1.437 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000337187597 360031171 /nfs/dbraw/zinc/03/11/71/360031171.db2.gz PUIIZERDMBYLKG-JKSUJKDBSA-N 2 2 291.439 1.437 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000337187597 360031174 /nfs/dbraw/zinc/03/11/74/360031174.db2.gz PUIIZERDMBYLKG-JKSUJKDBSA-N 2 2 291.439 1.437 20 30 CDEDLP CC#CCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000155417493 360457951 /nfs/dbraw/zinc/45/79/51/360457951.db2.gz VWEAJVIXFDVGSD-UHFFFAOYSA-N 2 2 259.353 1.626 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCNC(=O)CC1)C(C)C ZINC000634952334 360546184 /nfs/dbraw/zinc/54/61/84/360546184.db2.gz VUOOFRBTEWSYJD-JKSUJKDBSA-N 2 2 293.455 1.943 20 30 CDEDLP CC(C)(CCC#N)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353921443 365387508 /nfs/dbraw/zinc/38/75/08/365387508.db2.gz HCZOFWPZTRGCAY-UHFFFAOYSA-N 2 2 275.400 1.857 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(C#N)c1 ZINC000423517190 374388253 /nfs/dbraw/zinc/38/82/53/374388253.db2.gz OCGZMXDJJNYQQI-DOMZBBRYSA-N 2 2 258.369 1.112 20 30 CDEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@@H]2C1 ZINC000193631868 375886792 /nfs/dbraw/zinc/88/67/92/375886792.db2.gz GISVPFBODAKBEU-OKILXGFUSA-N 2 2 259.328 1.691 20 30 CDEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@@H]2C1 ZINC000193631868 375886801 /nfs/dbraw/zinc/88/68/01/375886801.db2.gz GISVPFBODAKBEU-OKILXGFUSA-N 2 2 259.328 1.691 20 30 CDEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2C1 ZINC000193631868 375886809 /nfs/dbraw/zinc/88/68/09/375886809.db2.gz GISVPFBODAKBEU-OKILXGFUSA-N 2 2 259.328 1.691 20 30 CDEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2C1 ZINC000193631868 375886814 /nfs/dbraw/zinc/88/68/14/375886814.db2.gz GISVPFBODAKBEU-OKILXGFUSA-N 2 2 259.328 1.691 20 30 CDEDLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328948005 376018054 /nfs/dbraw/zinc/01/80/54/376018054.db2.gz WARJAKDRZZOEIO-QWHCGFSZSA-N 2 2 276.384 1.886 20 30 CDEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245447457 376046383 /nfs/dbraw/zinc/04/63/83/376046383.db2.gz MCFREMQWVAFLDA-KGLIPLIRSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245447457 376046389 /nfs/dbraw/zinc/04/63/89/376046389.db2.gz MCFREMQWVAFLDA-KGLIPLIRSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245447457 376046393 /nfs/dbraw/zinc/04/63/93/376046393.db2.gz MCFREMQWVAFLDA-KGLIPLIRSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245447457 376046403 /nfs/dbraw/zinc/04/64/03/376046403.db2.gz MCFREMQWVAFLDA-KGLIPLIRSA-N 2 2 280.416 1.021 20 30 CDEDLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000328840947 375983073 /nfs/dbraw/zinc/98/30/73/375983073.db2.gz OLLQKYGSOQLFKA-LBPRGKRZSA-N 2 2 276.384 1.794 20 30 CDEDLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000328840947 375983082 /nfs/dbraw/zinc/98/30/82/375983082.db2.gz OLLQKYGSOQLFKA-LBPRGKRZSA-N 2 2 276.384 1.794 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246509863 376928103 /nfs/dbraw/zinc/92/81/03/376928103.db2.gz IEQPLBRPJWFKFI-LZWOXQAQSA-N 2 2 291.439 1.626 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246509863 376928108 /nfs/dbraw/zinc/92/81/08/376928108.db2.gz IEQPLBRPJWFKFI-LZWOXQAQSA-N 2 2 291.439 1.626 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246509863 376928117 /nfs/dbraw/zinc/92/81/17/376928117.db2.gz IEQPLBRPJWFKFI-LZWOXQAQSA-N 2 2 291.439 1.626 20 30 CDEDLP C[NH+]=C(NCC[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000103337826 390476242 /nfs/dbraw/zinc/47/62/42/390476242.db2.gz UFMZEDVSNUNMIG-UHFFFAOYSA-N 2 2 272.396 1.372 20 30 CDEDLP C[NH+]=C(NCC[N@H+]1CCc2ccccc2C1)NC1CC1 ZINC000103337826 390476246 /nfs/dbraw/zinc/47/62/46/390476246.db2.gz UFMZEDVSNUNMIG-UHFFFAOYSA-N 2 2 272.396 1.372 20 30 CDEDLP C[C@@H]1C[NH+]=C(NC[C@H](c2cccc(F)c2)[NH+](C)C)N1 ZINC000262649489 391806905 /nfs/dbraw/zinc/80/69/05/391806905.db2.gz KAFDPJRNOYWMLP-ZWNOBZJWSA-N 2 2 264.348 1.366 20 30 CDEDLP C=C[C@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649275161 393303302 /nfs/dbraw/zinc/30/33/02/393303302.db2.gz MDQPJDGOTJNJBM-BBRMVZONSA-N 2 2 298.390 1.492 20 30 CDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)nn1 ZINC000657334248 414168544 /nfs/dbraw/zinc/16/85/44/414168544.db2.gz RLGWNMFFPHAWOY-UHFFFAOYSA-N 2 2 289.427 1.961 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068800218 260146669 /nfs/dbraw/zinc/14/66/69/260146669.db2.gz WXWXADJWKUOVNJ-MRXNPFEDSA-N 2 2 287.407 1.034 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068800218 260146671 /nfs/dbraw/zinc/14/66/71/260146671.db2.gz WXWXADJWKUOVNJ-MRXNPFEDSA-N 2 2 287.407 1.034 20 30 CDEDLP C=CC[C@H](CO)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341874615 263361123 /nfs/dbraw/zinc/36/11/23/263361123.db2.gz GZXNHJRTPUYTLU-INIZCTEOSA-N 2 2 289.423 1.820 20 30 CDEDLP CC[C@](C)(C#N)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000352843513 288382369 /nfs/dbraw/zinc/38/23/69/288382369.db2.gz PJJKDKVLULZNCF-MRXNPFEDSA-N 2 2 294.443 1.411 20 30 CDEDLP CC[C@](C)(C#N)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000352843513 288382371 /nfs/dbraw/zinc/38/23/71/288382371.db2.gz PJJKDKVLULZNCF-MRXNPFEDSA-N 2 2 294.443 1.411 20 30 CDEDLP CCCCNC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000264147292 328157619 /nfs/dbraw/zinc/15/76/19/328157619.db2.gz YFGNLXUYOSAIGA-UHFFFAOYSA-N 2 2 259.357 1.581 20 30 CDEDLP N#CC1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000572951290 327527256 /nfs/dbraw/zinc/52/72/56/327527256.db2.gz ALFFBGAQXISLTI-BGHVQYPCSA-N 2 2 277.412 1.673 20 30 CDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000490899372 332127581 /nfs/dbraw/zinc/12/75/81/332127581.db2.gz OQZBGJXPRAHFMP-CYBMUJFWSA-N 2 2 286.379 1.096 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000491122612 332152915 /nfs/dbraw/zinc/15/29/15/332152915.db2.gz WYJZHDQKCYHVQE-DOTOQJQBSA-N 2 2 285.391 1.161 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000491122612 332152917 /nfs/dbraw/zinc/15/29/17/332152917.db2.gz WYJZHDQKCYHVQE-DOTOQJQBSA-N 2 2 285.391 1.161 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC2CC2)C2CCC2)CC1 ZINC000491516849 332227861 /nfs/dbraw/zinc/22/78/61/332227861.db2.gz VSBWBXDPVPGRSP-UHFFFAOYSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC2CC2)C2CCC2)CC1 ZINC000491516849 332227863 /nfs/dbraw/zinc/22/78/63/332227863.db2.gz VSBWBXDPVPGRSP-UHFFFAOYSA-N 2 2 289.423 1.028 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001731734192 1182540157 /nfs/dbraw/zinc/54/01/57/1182540157.db2.gz KPXBSLJNUJOLPZ-ZDUSSCGKSA-N 2 2 264.373 1.334 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000730276197 574908003 /nfs/dbraw/zinc/90/80/03/574908003.db2.gz HRIVNAGBGMIZCN-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000730276197 574908006 /nfs/dbraw/zinc/90/80/06/574908006.db2.gz HRIVNAGBGMIZCN-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C[C@H]1C[N@H+](Cc2ccccn2)CCC1=[NH+]n1cnnc1 ZINC000734361297 575341428 /nfs/dbraw/zinc/34/14/28/575341428.db2.gz AYVHHLZEQXCOCU-LBPRGKRZSA-N 2 2 270.340 1.419 20 30 CDEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=[NH+]n1cnnc1 ZINC000734361297 575341430 /nfs/dbraw/zinc/34/14/30/575341430.db2.gz AYVHHLZEQXCOCU-LBPRGKRZSA-N 2 2 270.340 1.419 20 30 CDEDLP C[C@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC[N@@H+]1C ZINC000761857026 576598038 /nfs/dbraw/zinc/59/80/38/576598038.db2.gz FODCCGFWHCKGEL-NSHDSACASA-N 2 2 285.355 1.544 20 30 CDEDLP C[C@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC[N@H+]1C ZINC000761857026 576598041 /nfs/dbraw/zinc/59/80/41/576598041.db2.gz FODCCGFWHCKGEL-NSHDSACASA-N 2 2 285.355 1.544 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762260225 576635100 /nfs/dbraw/zinc/63/51/00/576635100.db2.gz UTVDWVGFYGBNDP-AWEZNQCLSA-N 2 2 282.347 1.048 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762260225 576635102 /nfs/dbraw/zinc/63/51/02/576635102.db2.gz UTVDWVGFYGBNDP-AWEZNQCLSA-N 2 2 282.347 1.048 20 30 CDEDLP N#Cc1cccn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1=O ZINC000758223630 577085335 /nfs/dbraw/zinc/08/53/35/577085335.db2.gz OICSPQOTVOQARR-AWEZNQCLSA-N 2 2 283.335 1.211 20 30 CDEDLP N#Cc1cccn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1=O ZINC000758223630 577085336 /nfs/dbraw/zinc/08/53/36/577085336.db2.gz 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C=CCCC[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146509321 932256590 /nfs/dbraw/zinc/25/65/90/932256590.db2.gz OZFHWEXRRFCBBW-UHFFFAOYSA-N 2 2 299.378 1.553 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146754348 932306256 /nfs/dbraw/zinc/30/62/56/932306256.db2.gz DUUBWEDXHXKBJJ-STQMWFEESA-N 2 2 264.373 1.332 20 30 CDEDLP N#CC1(c2ccccc2)CC([NH2+]C[C@@H]([NH3+])C2CC2)C1 ZINC001118059839 937586677 /nfs/dbraw/zinc/58/66/77/937586677.db2.gz SXPVVWZUTXNBNU-HWOWSKLDSA-N 2 2 255.365 1.937 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095533953 932699546 /nfs/dbraw/zinc/69/95/46/932699546.db2.gz VCBZDVYQGATLON-CBBWQLFWSA-N 2 2 298.390 1.115 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095533953 932699550 /nfs/dbraw/zinc/69/95/50/932699550.db2.gz VCBZDVYQGATLON-CBBWQLFWSA-N 2 2 298.390 1.115 20 30 CDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751545 937670783 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CDEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989880 938950534 /nfs/dbraw/zinc/95/05/34/938950534.db2.gz SVJKXBZGCIHGDZ-UHFFFAOYSA-N 2 2 288.395 1.598 20 30 CDEDLP N#CCc1ccc[nH+]c1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163306023 939243078 /nfs/dbraw/zinc/24/30/78/939243078.db2.gz PIQSUFWMIRRMMU-HIFRSBDPSA-N 2 2 272.352 1.471 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163472605 939274002 /nfs/dbraw/zinc/27/40/02/939274002.db2.gz JSCWGIMETKZCPR-UHFFFAOYSA-N 2 2 284.363 1.768 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924349 940263305 /nfs/dbraw/zinc/26/33/05/940263305.db2.gz LSTHBRMOWZFBPY-AWEZNQCLSA-N 2 2 290.411 1.889 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451967 940755331 /nfs/dbraw/zinc/75/53/31/940755331.db2.gz MNVYBAOFESUDKW-RBSFLKMASA-N 2 2 290.411 1.674 20 30 CDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451967 940755333 /nfs/dbraw/zinc/75/53/33/940755333.db2.gz MNVYBAOFESUDKW-RBSFLKMASA-N 2 2 290.411 1.674 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222105672 941565663 /nfs/dbraw/zinc/56/56/63/941565663.db2.gz VWEYKINUPOVKGE-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001229355651 942458110 /nfs/dbraw/zinc/45/81/10/942458110.db2.gz HUJPBMSJPFREET-ZDUSSCGKSA-N 2 2 290.411 1.888 20 30 CDEDLP Cc1cc(N2CC[NH+](Cc3cccc(C#N)n3)CC2)cc[nH+]1 ZINC001232926958 943438108 /nfs/dbraw/zinc/43/81/08/943438108.db2.gz JTXYYCSRARYEAA-UHFFFAOYSA-N 2 2 293.374 1.979 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235320406 944119519 /nfs/dbraw/zinc/11/95/19/944119519.db2.gz NLGNXHUDPASPTB-AWEZNQCLSA-N 2 2 277.412 1.027 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235320406 944119521 /nfs/dbraw/zinc/11/95/21/944119521.db2.gz NLGNXHUDPASPTB-AWEZNQCLSA-N 2 2 277.412 1.027 20 30 CDEDLP C=C(C)CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001262608582 946764824 /nfs/dbraw/zinc/76/48/24/946764824.db2.gz MHRGBQKQPXJDHS-AWEZNQCLSA-N 2 2 279.428 1.627 20 30 CDEDLP C=C(C)CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001262608582 946764833 /nfs/dbraw/zinc/76/48/33/946764833.db2.gz MHRGBQKQPXJDHS-AWEZNQCLSA-N 2 2 279.428 1.627 20 30 CDEDLP N#Cc1ccccc1OCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246329142 948109635 /nfs/dbraw/zinc/10/96/35/948109635.db2.gz NSUGTOZDVIKYSY-AWEZNQCLSA-N 2 2 259.353 1.669 20 30 CDEDLP C[C@H]1CC[C@H]([NH2+]CCOc2ccccc2C#N)C[NH2+]1 ZINC001246330800 948110760 /nfs/dbraw/zinc/11/07/60/948110760.db2.gz VEEGITAOEYTHFV-JSGCOSHPSA-N 2 2 259.353 1.667 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001496205691 972841158 /nfs/dbraw/zinc/84/11/58/972841158.db2.gz BMSPNNURBVDWRU-NSHDSACASA-N 2 2 284.791 1.152 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001372846619 973172080 /nfs/dbraw/zinc/17/20/80/973172080.db2.gz JLDYGDNFPXWZGH-AWEZNQCLSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001372846619 973172084 /nfs/dbraw/zinc/17/20/84/973172084.db2.gz JLDYGDNFPXWZGH-AWEZNQCLSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001372846619 973172089 /nfs/dbraw/zinc/17/20/89/973172089.db2.gz JLDYGDNFPXWZGH-AWEZNQCLSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001372846619 973172093 /nfs/dbraw/zinc/17/20/93/973172093.db2.gz JLDYGDNFPXWZGH-AWEZNQCLSA-N 2 2 299.846 1.804 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133195435 1163603512 /nfs/dbraw/zinc/60/35/12/1163603512.db2.gz QSLBZIKCGVKCAC-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000439000125 361788971 /nfs/dbraw/zinc/78/89/71/361788971.db2.gz WDJJLTAXGQLEIS-GJZGRUSLSA-N 2 2 251.418 1.567 20 30 CDEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000439000125 361788974 /nfs/dbraw/zinc/78/89/74/361788974.db2.gz WDJJLTAXGQLEIS-GJZGRUSLSA-N 2 2 251.418 1.567 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000598597024 343841015 /nfs/dbraw/zinc/84/10/15/343841015.db2.gz CJIHENLHBJMJKM-CYBMUJFWSA-N 2 2 276.384 1.890 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602800125 344589874 /nfs/dbraw/zinc/58/98/74/344589874.db2.gz VACPZQCFLOYZHC-UHFFFAOYSA-N 2 2 259.357 1.236 20 30 CDEDLP C[C@@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000602871474 344641743 /nfs/dbraw/zinc/64/17/43/344641743.db2.gz RXIBRBPAXXYCGS-ZFWWWQNUSA-N 2 2 288.395 1.297 20 30 CDEDLP C[NH+]1CCC(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330190855 530048345 /nfs/dbraw/zinc/04/83/45/530048345.db2.gz WOIZKLSWHVRYCP-ZDUSSCGKSA-N 2 2 276.384 1.886 20 30 CDEDLP CC1(C#N)CCC([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000449121814 362625915 /nfs/dbraw/zinc/62/59/15/362625915.db2.gz IWYHNJAVYIZMAJ-NPCAHTBFSA-N 2 2 292.427 1.388 20 30 CDEDLP CC1(C#N)CCC([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000449121814 362625920 /nfs/dbraw/zinc/62/59/20/362625920.db2.gz IWYHNJAVYIZMAJ-NPCAHTBFSA-N 2 2 292.427 1.388 20 30 CDEDLP C[NH+](C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000059640490 347413686 /nfs/dbraw/zinc/41/36/86/347413686.db2.gz YNDSPGVVYHSLMI-UHFFFAOYSA-N 2 2 272.396 1.678 20 30 CDEDLP CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000068467044 347564028 /nfs/dbraw/zinc/56/40/28/347564028.db2.gz NRSDNCHMBKDOSL-NSHDSACASA-N 2 2 250.346 1.341 20 30 CDEDLP C#CC[N@@H+](CC#CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491814888 347589554 /nfs/dbraw/zinc/58/95/54/347589554.db2.gz DRKONCXMXFWSHI-UHFFFAOYSA-N 2 2 296.414 1.977 20 30 CDEDLP C#CC[N@H+](CC#CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491814888 347589557 /nfs/dbraw/zinc/58/95/57/347589557.db2.gz DRKONCXMXFWSHI-UHFFFAOYSA-N 2 2 296.414 1.977 20 30 CDEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085348 351410637 /nfs/dbraw/zinc/41/06/37/351410637.db2.gz OJOVKJRLHLVNEP-RDBSUJKOSA-N 2 2 267.417 1.517 20 30 CDEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085348 351410638 /nfs/dbraw/zinc/41/06/38/351410638.db2.gz OJOVKJRLHLVNEP-RDBSUJKOSA-N 2 2 267.417 1.517 20 30 CDEDLP C=CCCCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644623920 366275487 /nfs/dbraw/zinc/27/54/87/366275487.db2.gz HGDZHZLUUIUCNY-QLFBSQMISA-N 2 2 270.417 1.402 20 30 CDEDLP C=CCCCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644623920 366275490 /nfs/dbraw/zinc/27/54/90/366275490.db2.gz HGDZHZLUUIUCNY-QLFBSQMISA-N 2 2 270.417 1.402 20 30 CDEDLP C=CC[NH+]1CCC(Nc2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000294428242 199036150 /nfs/dbraw/zinc/03/61/50/199036150.db2.gz OSUFLRJMTDJZFM-LBPRGKRZSA-N 2 2 291.399 1.332 20 30 CDEDLP C=CC[NH+]1CCC(Nc2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000294428242 199036152 /nfs/dbraw/zinc/03/61/52/199036152.db2.gz OSUFLRJMTDJZFM-LBPRGKRZSA-N 2 2 291.399 1.332 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000337200629 360022132 /nfs/dbraw/zinc/02/21/32/360022132.db2.gz ZUNVQVXWTMMZHE-CVEARBPZSA-N 2 2 291.439 1.724 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000337200629 360022137 /nfs/dbraw/zinc/02/21/37/360022137.db2.gz ZUNVQVXWTMMZHE-CVEARBPZSA-N 2 2 291.439 1.724 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1=O ZINC000337187594 360031229 /nfs/dbraw/zinc/03/12/29/360031229.db2.gz PUIIZERDMBYLKG-CVEARBPZSA-N 2 2 291.439 1.437 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1=O ZINC000337187594 360031233 /nfs/dbraw/zinc/03/12/33/360031233.db2.gz PUIIZERDMBYLKG-CVEARBPZSA-N 2 2 291.439 1.437 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000337187594 360031239 /nfs/dbraw/zinc/03/12/39/360031239.db2.gz PUIIZERDMBYLKG-CVEARBPZSA-N 2 2 291.439 1.437 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000337187594 360031244 /nfs/dbraw/zinc/03/12/44/360031244.db2.gz PUIIZERDMBYLKG-CVEARBPZSA-N 2 2 291.439 1.437 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1 ZINC000563215341 360750877 /nfs/dbraw/zinc/75/08/77/360750877.db2.gz GOWZXRGFSRXOFI-CABCVRRESA-N 2 2 277.412 1.505 20 30 CDEDLP C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182247738 365075402 /nfs/dbraw/zinc/07/54/02/365075402.db2.gz JQVXLUXAVQEYTD-ZDUSSCGKSA-N 2 2 284.363 1.825 20 30 CDEDLP C=CCn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)nn1 ZINC000567261156 370936317 /nfs/dbraw/zinc/93/63/17/370936317.db2.gz JGVCSSCRCXRSND-UHFFFAOYSA-N 2 2 275.400 1.428 20 30 CDEDLP C=CC[NH+]1CCC(Nc2nc(NC)c3ccccc3[nH+]2)CC1 ZINC000574148716 371698373 /nfs/dbraw/zinc/69/83/73/371698373.db2.gz NQZBEBPLAFCOJW-UHFFFAOYSA-N 2 2 297.406 1.578 20 30 CDEDLP C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)C[NH+](C)C ZINC000520797786 376475321 /nfs/dbraw/zinc/47/53/21/376475321.db2.gz JUUWCYFZECNDDJ-QWHCGFSZSA-N 2 2 250.390 1.996 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH2+]CC#Cc1cccc(F)c1)C1CC1 ZINC000571791046 377533293 /nfs/dbraw/zinc/53/32/93/377533293.db2.gz OTKDJKHITKXPHR-MRXNPFEDSA-N 2 2 276.355 1.222 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH2+]CC#Cc1cccc(F)c1)C1CC1 ZINC000571791046 377533297 /nfs/dbraw/zinc/53/32/97/377533297.db2.gz OTKDJKHITKXPHR-MRXNPFEDSA-N 2 2 276.355 1.222 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293110806 378538663 /nfs/dbraw/zinc/53/86/63/378538663.db2.gz YMSYWUNBRYKEBL-KRWDZBQOSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293110806 378538666 /nfs/dbraw/zinc/53/86/66/378538666.db2.gz YMSYWUNBRYKEBL-KRWDZBQOSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293110806 378538670 /nfs/dbraw/zinc/53/86/70/378538670.db2.gz YMSYWUNBRYKEBL-KRWDZBQOSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293110806 378538673 /nfs/dbraw/zinc/53/86/73/378538673.db2.gz YMSYWUNBRYKEBL-KRWDZBQOSA-N 2 2 291.439 1.605 20 30 CDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1cccc(F)c1 ZINC000114084128 390804603 /nfs/dbraw/zinc/80/46/03/390804603.db2.gz AJQWHEBBJOCUMJ-UHFFFAOYSA-N 2 2 289.358 1.730 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150805202 390917105 /nfs/dbraw/zinc/91/71/05/390917105.db2.gz GWQLSZJUADRGIA-MRXNPFEDSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150805202 390917106 /nfs/dbraw/zinc/91/71/06/390917106.db2.gz GWQLSZJUADRGIA-MRXNPFEDSA-N 2 2 293.455 1.829 20 30 CDEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)C2 ZINC000329512015 391001420 /nfs/dbraw/zinc/00/14/20/391001420.db2.gz KWLSAOJAUCJASJ-GXTWGEPZSA-N 2 2 292.383 1.041 20 30 CDEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000329512015 391001422 /nfs/dbraw/zinc/00/14/22/391001422.db2.gz KWLSAOJAUCJASJ-GXTWGEPZSA-N 2 2 292.383 1.041 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428806 391298988 /nfs/dbraw/zinc/29/89/88/391298988.db2.gz PDXGCPOYQXQKKE-HIFRSBDPSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428806 391298992 /nfs/dbraw/zinc/29/89/92/391298992.db2.gz PDXGCPOYQXQKKE-HIFRSBDPSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428806 391298996 /nfs/dbraw/zinc/29/89/96/391298996.db2.gz PDXGCPOYQXQKKE-HIFRSBDPSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428806 391298999 /nfs/dbraw/zinc/29/89/99/391298999.db2.gz PDXGCPOYQXQKKE-HIFRSBDPSA-N 2 2 265.401 1.095 20 30 CDEDLP C[C@@H](CNC1=[NH+]C[C@H](C)N1)[N@@H+]1CCc2sccc2C1 ZINC000262674161 391810185 /nfs/dbraw/zinc/81/01/85/391810185.db2.gz SKVBKIGIMGGCAH-QWRGUYRKSA-N 2 2 278.425 1.432 20 30 CDEDLP C[C@@H](CNC1=[NH+]C[C@H](C)N1)[N@H+]1CCc2sccc2C1 ZINC000262674161 391810188 /nfs/dbraw/zinc/81/01/88/391810188.db2.gz SKVBKIGIMGGCAH-QWRGUYRKSA-N 2 2 278.425 1.432 20 30 CDEDLP Cc1ccc([C@@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1 ZINC000262686835 391812628 /nfs/dbraw/zinc/81/26/28/391812628.db2.gz YQOAZQRFGZLGDU-TZMCWYRMSA-N 2 2 260.385 1.535 20 30 CDEDLP COCC[NH+]1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425212871 392995408 /nfs/dbraw/zinc/99/54/08/392995408.db2.gz GCJHBUJXRYLGIU-UHFFFAOYSA-N 2 2 274.368 1.206 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252667277 140322437 /nfs/dbraw/zinc/32/24/37/140322437.db2.gz HZUARUQTQKSRHF-JKSUJKDBSA-N 2 2 271.364 1.511 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252667277 140322439 /nfs/dbraw/zinc/32/24/39/140322439.db2.gz HZUARUQTQKSRHF-JKSUJKDBSA-N 2 2 271.364 1.511 20 30 CDEDLP C[N@@H+]1CC[C@@H]2CCN(Cc3c[nH+]c4ccc(C#N)cn34)[C@H]2C1 ZINC000374905557 160325812 /nfs/dbraw/zinc/32/58/12/160325812.db2.gz ZLDOGNUHGNMWNA-ZBFHGGJFSA-N 2 2 295.390 1.732 20 30 CDEDLP C[N@H+]1CC[C@@H]2CCN(Cc3c[nH+]c4ccc(C#N)cn34)[C@H]2C1 ZINC000374905557 160325814 /nfs/dbraw/zinc/32/58/14/160325814.db2.gz ZLDOGNUHGNMWNA-ZBFHGGJFSA-N 2 2 295.390 1.732 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@H](C)CC[NH+](C)C)nn1 ZINC000657334527 414172140 /nfs/dbraw/zinc/17/21/40/414172140.db2.gz CHTYOXNLTIIQIG-GFCCVEGCSA-N 2 2 251.378 1.284 20 30 CDEDLP CNC(=[NH2+])NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277385420 263040973 /nfs/dbraw/zinc/04/09/73/263040973.db2.gz NBCDBUPTLGTQLR-CYBMUJFWSA-N 2 2 278.425 1.138 20 30 CDEDLP CNC(=[NH2+])NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277385420 263040974 /nfs/dbraw/zinc/04/09/74/263040974.db2.gz NBCDBUPTLGTQLR-CYBMUJFWSA-N 2 2 278.425 1.138 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)NCc2[nH+]ccn2C)CC1 ZINC000330636110 264001467 /nfs/dbraw/zinc/00/14/67/264001467.db2.gz BGMYZDPGVRLJPG-UHFFFAOYSA-N 2 2 277.372 1.074 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCCn1c(C)[nH+]c2ccccc21 ZINC000262295622 328147875 /nfs/dbraw/zinc/14/78/75/328147875.db2.gz NJLUVPKIXBHZMV-UHFFFAOYSA-N 2 2 271.368 1.825 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000564733212 327451900 /nfs/dbraw/zinc/45/19/00/327451900.db2.gz VQJNARUJVIGTAG-ZDUSSCGKSA-N 2 2 288.395 1.212 20 30 CDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@](C)(CC)C1 ZINC000261783816 329983434 /nfs/dbraw/zinc/98/34/34/329983434.db2.gz POWXLVFVVBSZOS-HNNXBMFYSA-N 2 2 277.416 1.971 20 30 CDEDLP C[C@H]1C[NH+]=C(NC[C@H](c2ccc(F)cc2)[NH+](C)C)N1 ZINC000262662930 330025369 /nfs/dbraw/zinc/02/53/69/330025369.db2.gz NJERIRNHSRJCAD-GXFFZTMASA-N 2 2 264.348 1.366 20 30 CDEDLP CC[C@H](C)[NH2+][C@H](CNC1=[NH+]C[C@H](C)N1)c1ccco1 ZINC000262687394 330027260 /nfs/dbraw/zinc/02/72/60/330027260.db2.gz YXFSXDZHSYIMIB-SDDRHHMPSA-N 2 2 264.373 1.646 20 30 CDEDLP Cc1ccn2cc(CNC(=O)[C@@H]([NH3+])CCCC#N)[nH+]c2c1 ZINC000424137718 330275088 /nfs/dbraw/zinc/27/50/88/330275088.db2.gz SLAPZBLNDFTUIC-ZDUSSCGKSA-N 2 2 285.351 1.280 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CC(C)(C)C)CC1 ZINC000491277040 332179288 /nfs/dbraw/zinc/17/92/88/332179288.db2.gz MEJXTHBFMRMJQP-UHFFFAOYSA-N 2 2 279.428 1.132 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CC(C)(C)C)CC1 ZINC000491277040 332179289 /nfs/dbraw/zinc/17/92/89/332179289.db2.gz MEJXTHBFMRMJQP-UHFFFAOYSA-N 2 2 279.428 1.132 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000177907259 333065469 /nfs/dbraw/zinc/06/54/69/333065469.db2.gz YEFCDBLZKVVCDS-GDBMZVCRSA-N 3 2 265.445 1.957 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000385606171 336152568 /nfs/dbraw/zinc/15/25/68/336152568.db2.gz MNXTVUGGJBCORH-UHFFFAOYSA-N 3 2 251.418 1.404 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000385606171 336152569 /nfs/dbraw/zinc/15/25/69/336152569.db2.gz MNXTVUGGJBCORH-UHFFFAOYSA-N 3 2 251.418 1.404 20 30 CDEDLP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001753857637 1159926808 /nfs/dbraw/zinc/92/68/08/1159926808.db2.gz WGADKMMDMVFTOI-AWEZNQCLSA-N 2 2 290.411 1.412 20 30 CDEDLP C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001753857637 1159926809 /nfs/dbraw/zinc/92/68/09/1159926809.db2.gz WGADKMMDMVFTOI-AWEZNQCLSA-N 2 2 290.411 1.412 20 30 CDEDLP COCC#CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000677133158 482542270 /nfs/dbraw/zinc/54/22/70/482542270.db2.gz KLEKTNBITMIUMW-UHFFFAOYSA-N 2 2 250.386 1.587 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000685000797 483064120 /nfs/dbraw/zinc/06/41/20/483064120.db2.gz XMMJTEQHVYANLJ-KGLIPLIRSA-N 2 2 274.368 1.307 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000685000797 483064124 /nfs/dbraw/zinc/06/41/24/483064124.db2.gz XMMJTEQHVYANLJ-KGLIPLIRSA-N 2 2 274.368 1.307 20 30 CDEDLP CC#CC[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113644119 1162246086 /nfs/dbraw/zinc/24/60/86/1162246086.db2.gz HGENSOTXSVLKHW-UHFFFAOYSA-N 2 2 291.439 1.420 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1=O ZINC000336573896 526507427 /nfs/dbraw/zinc/50/74/27/526507427.db2.gz QLYUHTSQWUGWHR-AWEZNQCLSA-N 2 2 277.412 1.334 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1=O ZINC000336573896 526507431 /nfs/dbraw/zinc/50/74/31/526507431.db2.gz QLYUHTSQWUGWHR-AWEZNQCLSA-N 2 2 277.412 1.334 20 30 CDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947981264 613026488 /nfs/dbraw/zinc/02/64/88/613026488.db2.gz UOBHFQSUESBNLQ-JSGCOSHPSA-N 2 2 288.395 1.253 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947981264 613026489 /nfs/dbraw/zinc/02/64/89/613026489.db2.gz UOBHFQSUESBNLQ-JSGCOSHPSA-N 2 2 288.395 1.253 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000949117869 613321473 /nfs/dbraw/zinc/32/14/73/613321473.db2.gz PSATVYWWKYCHHZ-UHFFFAOYSA-N 2 2 284.363 1.668 20 30 CDEDLP C=CCC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948957887 613508141 /nfs/dbraw/zinc/50/81/41/613508141.db2.gz OXLBZOFFVMBMMI-AWEZNQCLSA-N 2 2 288.395 1.166 20 30 CDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969993564 613663225 /nfs/dbraw/zinc/66/32/25/613663225.db2.gz UCAXWEYHRKKQID-OLZOCXBDSA-N 2 2 288.395 1.068 20 30 CDEDLP C[NH+]1CCC(CCO)([NH2+]CC#Cc2ccccc2)CC1 ZINC000893602778 617648467 /nfs/dbraw/zinc/64/84/67/617648467.db2.gz PVOVIZXRZREXFK-UHFFFAOYSA-N 2 2 272.392 1.475 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000895884612 619884074 /nfs/dbraw/zinc/88/40/74/619884074.db2.gz LHVAHWCATNOFSF-CQSZACIVSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000928648809 620331604 /nfs/dbraw/zinc/33/16/04/620331604.db2.gz RWLSOUXJSOIADF-UHFFFAOYSA-N 2 2 288.395 1.140 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(C#N)cc2Cl)CC1 ZINC001157914322 1162541269 /nfs/dbraw/zinc/54/12/69/1162541269.db2.gz BLZDUIBLJHZVOH-UHFFFAOYSA-N 2 2 278.747 1.201 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001088355888 1160379371 /nfs/dbraw/zinc/37/93/71/1160379371.db2.gz KLADTPZNONARQS-OAHLLOKOSA-N 2 2 290.411 1.820 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133354050 1163651115 /nfs/dbraw/zinc/65/11/15/1163651115.db2.gz MAASLBNUPFMEMW-GJZGRUSLSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664431 1163838863 /nfs/dbraw/zinc/83/88/63/1163838863.db2.gz QVBDCBFGGRXPLG-OLZOCXBDSA-N 2 2 290.411 1.890 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752972026 1184980347 /nfs/dbraw/zinc/98/03/47/1184980347.db2.gz SLWFAOJLWOTIMA-ZIAGYGMSSA-N 2 2 288.395 1.383 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752972026 1184980351 /nfs/dbraw/zinc/98/03/51/1184980351.db2.gz SLWFAOJLWOTIMA-ZIAGYGMSSA-N 2 2 288.395 1.383 20 30 CDEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001755391926 1185939495 /nfs/dbraw/zinc/93/94/95/1185939495.db2.gz MCMANFPOQSPKNI-AWEZNQCLSA-N 2 2 288.395 1.123 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001755840200 1186086714 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30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001018305258 769290041 /nfs/dbraw/zinc/29/00/41/769290041.db2.gz MAKNNTZXELNURP-GEEKYZPCSA-N 2 2 291.439 1.720 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001018305258 769290054 /nfs/dbraw/zinc/29/00/54/769290054.db2.gz MAKNNTZXELNURP-GEEKYZPCSA-N 2 2 291.439 1.720 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001014914886 769328483 /nfs/dbraw/zinc/32/84/83/769328483.db2.gz IFSNYFPWRGDWMH-CYBMUJFWSA-N 2 2 276.384 1.303 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001014914886 769328494 /nfs/dbraw/zinc/32/84/94/769328494.db2.gz IFSNYFPWRGDWMH-CYBMUJFWSA-N 2 2 276.384 1.303 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CC ZINC001037999669 769573932 /nfs/dbraw/zinc/57/39/32/769573932.db2.gz YOELXXRGRVHWEY-LSDHHAIUSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001031433867 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C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027944490 773458605 /nfs/dbraw/zinc/45/86/05/773458605.db2.gz FEMQYBJVMGCSFW-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027944490 773458638 /nfs/dbraw/zinc/45/86/38/773458638.db2.gz FEMQYBJVMGCSFW-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001031744591 773516040 /nfs/dbraw/zinc/51/60/40/773516040.db2.gz KELDURBPMIJASN-CHWSQXEVSA-N 2 2 274.368 1.137 20 30 CDEDLP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001031744591 773516059 /nfs/dbraw/zinc/51/60/59/773516059.db2.gz KELDURBPMIJASN-CHWSQXEVSA-N 2 2 274.368 1.137 20 30 CDEDLP C#CCC[NH+]1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001031671344 773622561 /nfs/dbraw/zinc/62/25/61/773622561.db2.gz UUHFCHGUUGFEKP-UHFFFAOYSA-N 2 2 296.374 1.328 20 30 CDEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881327 913821289 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C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829114 914280080 /nfs/dbraw/zinc/28/00/80/914280080.db2.gz HYYOGTKSPZZBQF-CQSZACIVSA-N 2 2 278.400 1.724 20 30 CDEDLP C#CCOc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976355 914477654 /nfs/dbraw/zinc/47/76/54/914477654.db2.gz AWMKZRVSYINJOK-ZBFHGGJFSA-N 2 2 256.349 1.622 20 30 CDEDLP C#CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976355 914477666 /nfs/dbraw/zinc/47/76/66/914477666.db2.gz AWMKZRVSYINJOK-ZBFHGGJFSA-N 2 2 256.349 1.622 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001092694243 909487551 /nfs/dbraw/zinc/48/75/51/909487551.db2.gz KMVKNGOGZGJEMT-AAVRWANBSA-N 2 2 288.395 1.383 20 30 CDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001092694243 909487560 /nfs/dbraw/zinc/48/75/60/909487560.db2.gz KMVKNGOGZGJEMT-AAVRWANBSA-N 2 2 288.395 1.383 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001092694243 909487571 /nfs/dbraw/zinc/48/75/71/909487571.db2.gz KMVKNGOGZGJEMT-AAVRWANBSA-N 2 2 288.395 1.383 20 30 CDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001092694243 909487583 /nfs/dbraw/zinc/48/75/83/909487583.db2.gz KMVKNGOGZGJEMT-AAVRWANBSA-N 2 2 288.395 1.383 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092731013 909496429 /nfs/dbraw/zinc/49/64/29/909496429.db2.gz YMTGPZYKCKHUQG-TZMCWYRMSA-N 2 2 296.374 1.494 20 30 CDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092731013 909496436 /nfs/dbraw/zinc/49/64/36/909496436.db2.gz YMTGPZYKCKHUQG-TZMCWYRMSA-N 2 2 296.374 1.494 20 30 CDEDLP COCCC[NH+]1CCC([NH+]2CC(CC#N)C2)CC1 ZINC001172249156 911519381 /nfs/dbraw/zinc/51/93/81/911519381.db2.gz DTRWECTYWDQXRD-UHFFFAOYSA-N 2 2 251.374 1.333 20 30 CDEDLP CC[NH+](CC)C1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001173110535 912171878 /nfs/dbraw/zinc/17/18/78/912171878.db2.gz VNRBHJFKZAMMDL-NRXISQOPSA-N 2 2 264.417 1.437 20 30 CDEDLP C=CC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179175986 915764179 /nfs/dbraw/zinc/76/41/79/915764179.db2.gz GJHGGVOJNFIVNO-UHFFFAOYSA-N 2 2 278.400 1.725 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001168736309 921873949 /nfs/dbraw/zinc/87/39/49/921873949.db2.gz FHCDXJNGADCYJH-UHFFFAOYSA-N 2 2 288.311 1.061 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161209552 936816179 /nfs/dbraw/zinc/81/61/79/936816179.db2.gz QCYJUZYRNBSJCZ-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1Cl ZINC001205681658 924402283 /nfs/dbraw/zinc/40/22/83/924402283.db2.gz LQNRFGYSGWMXTR-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1Cl ZINC001205681658 924402286 /nfs/dbraw/zinc/40/22/86/924402286.db2.gz LQNRFGYSGWMXTR-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100744312 936932142 /nfs/dbraw/zinc/93/21/42/936932142.db2.gz RFIFHDJQXFPBBI-IYXRBSQSSA-N 2 2 290.411 1.649 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100744312 936932144 /nfs/dbraw/zinc/93/21/44/936932144.db2.gz RFIFHDJQXFPBBI-IYXRBSQSSA-N 2 2 290.411 1.649 20 30 CDEDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001205842399 925440384 /nfs/dbraw/zinc/44/03/84/925440384.db2.gz NJOBBGFCIHKRMB-BXUZGUMPSA-N 2 2 259.353 1.823 20 30 CDEDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001205842399 925440388 /nfs/dbraw/zinc/44/03/88/925440388.db2.gz NJOBBGFCIHKRMB-BXUZGUMPSA-N 2 2 259.353 1.823 20 30 CDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342286 937352263 /nfs/dbraw/zinc/35/22/63/937352263.db2.gz UTDLWHBXPODEHL-TTZDDIAXSA-N 2 2 288.395 1.284 20 30 CDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342286 937352266 /nfs/dbraw/zinc/35/22/66/937352266.db2.gz UTDLWHBXPODEHL-TTZDDIAXSA-N 2 2 288.395 1.284 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc2nccn21 ZINC000883131157 930148058 /nfs/dbraw/zinc/14/80/58/930148058.db2.gz KGRGSRWHTAYKPG-UHFFFAOYSA-N 2 2 256.353 1.379 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc2nccn21 ZINC000883131157 930148065 /nfs/dbraw/zinc/14/80/65/930148065.db2.gz KGRGSRWHTAYKPG-UHFFFAOYSA-N 2 2 256.353 1.379 20 30 CDEDLP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2CCn1cc[nH+]c1 ZINC001274964457 931618062 /nfs/dbraw/zinc/61/80/62/931618062.db2.gz MQKKQFVQMOCIMZ-IYBDPMFKSA-N 2 2 274.412 1.998 20 30 CDEDLP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCn1cc[nH+]c1 ZINC001274964457 931618064 /nfs/dbraw/zinc/61/80/64/931618064.db2.gz MQKKQFVQMOCIMZ-IYBDPMFKSA-N 2 2 274.412 1.998 20 30 CDEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146713022 932287110 /nfs/dbraw/zinc/28/71/10/932287110.db2.gz HEFZYAZXTMMLNQ-CABCVRRESA-N 2 2 290.411 1.560 20 30 CDEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772823 932296484 /nfs/dbraw/zinc/29/64/84/932296484.db2.gz UBVJIGBBQSTNMJ-UONOGXRCSA-N 2 2 278.400 1.722 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147872019 932624764 /nfs/dbraw/zinc/62/47/64/932624764.db2.gz XISLERBTUVERMI-GFCCVEGCSA-N 2 2 264.373 1.023 20 30 CDEDLP C#CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC001120010095 937773521 /nfs/dbraw/zinc/77/35/21/937773521.db2.gz LXOYRBVNYPNEIE-UHFFFAOYSA-N 2 2 288.395 1.005 20 30 CDEDLP C#CC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001120062471 937777762 /nfs/dbraw/zinc/77/77/62/937777762.db2.gz OEGTVMYCALTDFK-UHFFFAOYSA-N 2 2 288.395 1.303 20 30 CDEDLP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046430426 935951365 /nfs/dbraw/zinc/95/13/65/935951365.db2.gz AXUUMAALAFYLOU-CZUORRHYSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046430426 935951366 /nfs/dbraw/zinc/95/13/66/935951366.db2.gz AXUUMAALAFYLOU-CZUORRHYSA-N 2 2 288.395 1.212 20 30 CDEDLP C[NH+](C)C[C@@]12C[C@@H]1CN(c1cc(CC#N)cc[nH+]1)C2 ZINC001156395957 938362365 /nfs/dbraw/zinc/36/23/65/938362365.db2.gz RIMFCFRGARNSSK-UKRRQHHQSA-N 2 2 256.353 1.536 20 30 CDEDLP N#Cc1cnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c(Cl)c1 ZINC001160510390 938792530 /nfs/dbraw/zinc/79/25/30/938792530.db2.gz IDEPPYTXQORYQM-CQSZACIVSA-N 2 2 291.786 1.442 20 30 CDEDLP N#Cc1cc(Cl)cnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160513529 938793277 /nfs/dbraw/zinc/79/32/77/938793277.db2.gz OXGSQWAFSHIICS-AWEZNQCLSA-N 2 2 291.786 1.442 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ncnc(Cl)c1C#N)CC[NH2+]CC2 ZINC001165351272 939550009 /nfs/dbraw/zinc/55/00/09/939550009.db2.gz AGVIEDOGMMGRSJ-UHFFFAOYSA-N 2 2 288.742 1.184 20 30 CDEDLP CSc1nc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccc1C#N ZINC001205110561 939824338 /nfs/dbraw/zinc/82/43/38/939824338.db2.gz VXUWNTSICYJVJM-LBPRGKRZSA-N 2 2 276.409 1.988 20 30 CDEDLP CSc1nc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1C#N ZINC001205110561 939824340 /nfs/dbraw/zinc/82/43/40/939824340.db2.gz VXUWNTSICYJVJM-LBPRGKRZSA-N 2 2 276.409 1.988 20 30 CDEDLP C#CC[NH+]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952224 940411377 /nfs/dbraw/zinc/41/13/77/940411377.db2.gz HZJPEJHXXQOAEX-IBGZPJMESA-N 2 2 297.446 1.759 20 30 CDEDLP C#CC[NH+]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952224 940411379 /nfs/dbraw/zinc/41/13/79/940411379.db2.gz HZJPEJHXXQOAEX-IBGZPJMESA-N 2 2 297.446 1.759 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837639 940645689 /nfs/dbraw/zinc/64/56/89/940645689.db2.gz QJBYBXFPZAWFAB-UONOGXRCSA-N 2 2 290.411 1.888 20 30 CDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222092992 941563778 /nfs/dbraw/zinc/56/37/78/941563778.db2.gz ZMSPURZKPUJRAC-HNNXBMFYSA-N 2 2 288.395 1.267 20 30 CDEDLP C=CC[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001224692124 941783296 /nfs/dbraw/zinc/78/32/96/941783296.db2.gz OAAYAEHQLSHWDP-CQSZACIVSA-N 2 2 290.411 1.848 20 30 CDEDLP C=CCOC[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001252483729 951347488 /nfs/dbraw/zinc/34/74/88/951347488.db2.gz XDFDVJPPKVRDCM-DLBZAZTESA-N 2 2 292.423 1.833 20 30 CDEDLP C=CCC[C@@H](O)C[NH2+]CCSCc1[nH]c[nH+]c1C ZINC001252616777 951509192 /nfs/dbraw/zinc/50/91/92/951509192.db2.gz TUEQYKMFKPZVEI-GFCCVEGCSA-N 2 2 269.414 1.868 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001253406627 951889902 /nfs/dbraw/zinc/88/99/02/951889902.db2.gz SECYAAZCXUWMAU-OAHLLOKOSA-N 2 2 287.407 1.886 20 30 CDEDLP C#C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308882594 956593590 /nfs/dbraw/zinc/59/35/90/956593590.db2.gz LDDRDGOETBICKE-SJORKVTESA-N 2 2 284.403 1.767 20 30 CDEDLP C#C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308882594 956593595 /nfs/dbraw/zinc/59/35/95/956593595.db2.gz LDDRDGOETBICKE-SJORKVTESA-N 2 2 284.403 1.767 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001425250794 957499600 /nfs/dbraw/zinc/49/96/00/957499600.db2.gz UNECWRHOWWRLLG-AAEUAGOBSA-N 2 2 287.835 1.516 20 30 CDEDLP C[NH+]1CCN(c2ccc(C[NH2+]CCC#N)cc2F)CC1 ZINC001321081923 959580192 /nfs/dbraw/zinc/58/01/92/959580192.db2.gz VROISYQZUPXPQU-UHFFFAOYSA-N 2 2 276.359 1.581 20 30 CDEDLP C#C[C@H](CC)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335429190 959797608 /nfs/dbraw/zinc/79/76/08/959797608.db2.gz HECZUTNDLKVFGW-CVEARBPZSA-N 2 2 260.381 1.481 20 30 CDEDLP C#C[C@H](CC)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335429190 959797622 /nfs/dbraw/zinc/79/76/22/959797622.db2.gz HECZUTNDLKVFGW-CVEARBPZSA-N 2 2 260.381 1.481 20 30 CDEDLP C#CC[NH2+]CC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001343591900 964054339 /nfs/dbraw/zinc/05/43/39/964054339.db2.gz JCRCBWUMDGUTFK-KRWDZBQOSA-N 2 2 299.418 1.332 20 30 CDEDLP C#CC[NH2+]CC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001343591900 964054343 /nfs/dbraw/zinc/05/43/43/964054343.db2.gz JCRCBWUMDGUTFK-KRWDZBQOSA-N 2 2 299.418 1.332 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001441941218 964799134 /nfs/dbraw/zinc/79/91/34/964799134.db2.gz UYIPRXUFGIRHFG-LLVKDONJSA-N 2 2 270.764 1.120 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001521464243 970299155 /nfs/dbraw/zinc/29/91/55/970299155.db2.gz RCUPYVJBLAISEE-AWEZNQCLSA-N 2 2 276.384 1.730 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001375272420 974310409 /nfs/dbraw/zinc/31/04/09/974310409.db2.gz YIBLDNRWLGSDRO-LLVKDONJSA-N 2 2 282.775 1.189 20 30 CDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001375565223 974425536 /nfs/dbraw/zinc/42/55/36/974425536.db2.gz SPGMUWLMTCGHGM-UHFFFAOYSA-N 2 2 296.802 1.654 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001401882735 975971412 /nfs/dbraw/zinc/97/14/12/975971412.db2.gz ZWVWJMSDROAGRP-CYBMUJFWSA-N 2 2 296.802 1.200 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001392662307 977534914 /nfs/dbraw/zinc/53/49/14/977534914.db2.gz SZGFFWTWMSJFFR-LBPRGKRZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001392662307 977534917 /nfs/dbraw/zinc/53/49/17/977534917.db2.gz SZGFFWTWMSJFFR-LBPRGKRZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392688837 977550434 /nfs/dbraw/zinc/55/04/34/977550434.db2.gz DUJCAXJUXKGMCM-GFCCVEGCSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392688837 977550440 /nfs/dbraw/zinc/55/04/40/977550440.db2.gz DUJCAXJUXKGMCM-GFCCVEGCSA-N 2 2 287.835 1.517 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222176 1163201890 /nfs/dbraw/zinc/20/18/90/1163201890.db2.gz UUXIBYAONIGHRI-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222176 1163201896 /nfs/dbraw/zinc/20/18/96/1163201896.db2.gz UUXIBYAONIGHRI-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP COc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccc1C#N ZINC000591275633 342623864 /nfs/dbraw/zinc/62/38/64/342623864.db2.gz NFUXQSNGTUHSHS-CQSZACIVSA-N 2 2 259.353 1.799 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000591764826 342645894 /nfs/dbraw/zinc/64/58/94/342645894.db2.gz KOBPIIMTNXQJPT-WBVHZDCISA-N 2 2 285.391 1.590 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000591764826 342645895 /nfs/dbraw/zinc/64/58/95/342645895.db2.gz KOBPIIMTNXQJPT-WBVHZDCISA-N 2 2 285.391 1.590 20 30 CDEDLP Cc1cccn2cc(CCNC(=O)[C@H]([NH3+])CCCC#N)[nH+]c12 ZINC000592199294 342676176 /nfs/dbraw/zinc/67/61/76/342676176.db2.gz ZNCYNVLZPCXNEA-CQSZACIVSA-N 2 2 299.378 1.323 20 30 CDEDLP CC(C)CNC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000264091788 361913334 /nfs/dbraw/zinc/91/33/34/361913334.db2.gz LEFIQVKZUZALPM-UHFFFAOYSA-N 2 2 262.401 1.679 20 30 CDEDLP CC(C)CNC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000264091788 361913342 /nfs/dbraw/zinc/91/33/42/361913342.db2.gz LEFIQVKZUZALPM-UHFFFAOYSA-N 2 2 262.401 1.679 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000594499028 342914146 /nfs/dbraw/zinc/91/41/46/342914146.db2.gz ARMVTZALIIJHAX-SNPRPXQTSA-N 2 2 263.385 1.522 20 30 CDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000594521384 342917204 /nfs/dbraw/zinc/91/72/04/342917204.db2.gz QIRXKPNOUBDIMR-CYBMUJFWSA-N 2 2 291.420 1.963 20 30 CDEDLP N#Cc1sccc1N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000594734535 342949947 /nfs/dbraw/zinc/94/99/47/342949947.db2.gz ANVFXSABENGJAP-CYBMUJFWSA-N 2 2 290.436 1.741 20 30 CDEDLP N#CCCOCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595472552 343073359 /nfs/dbraw/zinc/07/33/59/343073359.db2.gz MVRZIRJGCBTFDV-OAHLLOKOSA-N 2 2 281.400 1.103 20 30 CDEDLP N#CCCOCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595472552 343073362 /nfs/dbraw/zinc/07/33/62/343073362.db2.gz MVRZIRJGCBTFDV-OAHLLOKOSA-N 2 2 281.400 1.103 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000602545210 344461758 /nfs/dbraw/zinc/46/17/58/344461758.db2.gz NYWXOPIEHDFKQC-KGLIPLIRSA-N 2 2 277.412 1.912 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000602545210 344461760 /nfs/dbraw/zinc/46/17/60/344461760.db2.gz NYWXOPIEHDFKQC-KGLIPLIRSA-N 2 2 277.412 1.912 20 30 CDEDLP CCNC(NCC[N@H+](C)Cc1ccccc1)=[NH+]CC ZINC000066244877 348977701 /nfs/dbraw/zinc/97/77/01/348977701.db2.gz ZRMXIHWTJACDCA-UHFFFAOYSA-N 2 2 262.401 1.693 20 30 CDEDLP CCNC(NCC[N@@H+](C)Cc1ccccc1)=[NH+]CC ZINC000066244877 348977704 /nfs/dbraw/zinc/97/77/04/348977704.db2.gz ZRMXIHWTJACDCA-UHFFFAOYSA-N 2 2 262.401 1.693 20 30 CDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)n3)CC[C@@H]21 ZINC000602487081 350113840 /nfs/dbraw/zinc/11/38/40/350113840.db2.gz STWYRYXEQLXSLL-CJNGLKHVSA-N 2 2 270.380 1.869 20 30 CDEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)n3)CC[C@@H]21 ZINC000602487081 350113844 /nfs/dbraw/zinc/11/38/44/350113844.db2.gz STWYRYXEQLXSLL-CJNGLKHVSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C#N)n3)CC[C@@H]21 ZINC000602487081 350113848 /nfs/dbraw/zinc/11/38/48/350113848.db2.gz STWYRYXEQLXSLL-CJNGLKHVSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C#N)n3)CC[C@@H]21 ZINC000602487081 350113852 /nfs/dbraw/zinc/11/38/52/350113852.db2.gz STWYRYXEQLXSLL-CJNGLKHVSA-N 2 2 270.380 1.869 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000264932047 359316650 /nfs/dbraw/zinc/31/66/50/359316650.db2.gz BCBAJACBYDCNQZ-INIZCTEOSA-N 2 2 287.407 1.034 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000264932047 359316654 /nfs/dbraw/zinc/31/66/54/359316654.db2.gz BCBAJACBYDCNQZ-INIZCTEOSA-N 2 2 287.407 1.034 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2cc[nH+]cc2CC)CC1 ZINC000265005562 359321758 /nfs/dbraw/zinc/32/17/58/359321758.db2.gz GHDDLODTRXGLDT-UHFFFAOYSA-N 2 2 271.364 1.928 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277175719 359557939 /nfs/dbraw/zinc/55/79/39/359557939.db2.gz KWTQAHXFERSNTL-CVEARBPZSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277175719 359557940 /nfs/dbraw/zinc/55/79/40/359557940.db2.gz KWTQAHXFERSNTL-CVEARBPZSA-N 2 2 293.455 1.992 20 30 CDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c[nH+]ccc2c1 ZINC000570509586 363691932 /nfs/dbraw/zinc/69/19/32/363691932.db2.gz GCFNMMOWDCTMAR-INIZCTEOSA-N 2 2 284.363 1.853 20 30 CDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c[nH+]ccc2c1 ZINC000570509586 363691938 /nfs/dbraw/zinc/69/19/38/363691938.db2.gz GCFNMMOWDCTMAR-INIZCTEOSA-N 2 2 284.363 1.853 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1=O ZINC000337133694 360001808 /nfs/dbraw/zinc/00/18/08/360001808.db2.gz LEDFXWBFZPCDMF-INIZCTEOSA-N 2 2 291.439 1.724 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000429698017 360868754 /nfs/dbraw/zinc/86/87/54/360868754.db2.gz LRGGPFHUPBNFNN-QWHCGFSZSA-N 2 2 259.357 1.234 20 30 CDEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000572476705 361026450 /nfs/dbraw/zinc/02/64/50/361026450.db2.gz CIUSFMRMWZVXBH-ZNMIVQPWSA-N 2 2 297.443 1.376 20 30 CDEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000572476705 361026456 /nfs/dbraw/zinc/02/64/56/361026456.db2.gz CIUSFMRMWZVXBH-ZNMIVQPWSA-N 2 2 297.443 1.376 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361229227 368700704 /nfs/dbraw/zinc/70/07/04/368700704.db2.gz MAIAYIZZIWLVDD-UKRRQHHQSA-N 3 2 251.418 1.567 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000361229227 368700711 /nfs/dbraw/zinc/70/07/11/368700711.db2.gz MAIAYIZZIWLVDD-UKRRQHHQSA-N 3 2 251.418 1.567 20 30 CDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276584421 193389760 /nfs/dbraw/zinc/38/97/60/193389760.db2.gz CGKLJFBPBHFWSC-NHYWBVRUSA-N 2 2 258.369 1.469 20 30 CDEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276584421 193389761 /nfs/dbraw/zinc/38/97/61/193389761.db2.gz CGKLJFBPBHFWSC-NHYWBVRUSA-N 2 2 258.369 1.469 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(C#N)cc1 ZINC000423509042 374384972 /nfs/dbraw/zinc/38/49/72/374384972.db2.gz IJZIFMSLYYNNLW-DOMZBBRYSA-N 2 2 258.369 1.112 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133471309 375569898 /nfs/dbraw/zinc/56/98/98/375569898.db2.gz HJEPVSVOEPEKBR-KRWDZBQOSA-N 2 2 298.434 1.549 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133471309 375569905 /nfs/dbraw/zinc/56/99/05/375569905.db2.gz HJEPVSVOEPEKBR-KRWDZBQOSA-N 2 2 298.434 1.549 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000328878288 375997870 /nfs/dbraw/zinc/99/78/70/375997870.db2.gz UNULEIQTWPJDGK-CHWSQXEVSA-N 2 2 291.399 1.218 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000328878288 375997878 /nfs/dbraw/zinc/99/78/78/375997878.db2.gz UNULEIQTWPJDGK-CHWSQXEVSA-N 2 2 291.399 1.218 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000104155376 390484611 /nfs/dbraw/zinc/48/46/11/390484611.db2.gz CKBWLORUOBGIRH-CQSZACIVSA-N 2 2 278.375 1.909 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152414787 390661435 /nfs/dbraw/zinc/66/14/35/390661435.db2.gz AKCIDSUILOMCHZ-AWEZNQCLSA-N 2 2 280.416 1.022 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152414787 390661436 /nfs/dbraw/zinc/66/14/36/390661436.db2.gz AKCIDSUILOMCHZ-AWEZNQCLSA-N 2 2 280.416 1.022 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152414787 390661439 /nfs/dbraw/zinc/66/14/39/390661439.db2.gz AKCIDSUILOMCHZ-AWEZNQCLSA-N 2 2 280.416 1.022 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152414787 390661441 /nfs/dbraw/zinc/66/14/41/390661441.db2.gz AKCIDSUILOMCHZ-AWEZNQCLSA-N 2 2 280.416 1.022 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339066019 391248821 /nfs/dbraw/zinc/24/88/21/391248821.db2.gz AEPXHULYFNCDOJ-JKSUJKDBSA-N 3 2 263.429 1.853 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339066019 391248822 /nfs/dbraw/zinc/24/88/22/391248822.db2.gz AEPXHULYFNCDOJ-JKSUJKDBSA-N 3 2 263.429 1.853 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCCCCO)cc1 ZINC000270583215 391277336 /nfs/dbraw/zinc/27/73/36/391277336.db2.gz QNMRJINZTSVZRA-UHFFFAOYSA-N 2 2 293.411 1.938 20 30 CDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)C#N ZINC000112921572 391281462 /nfs/dbraw/zinc/28/14/62/391281462.db2.gz QFGJBXZNLVIMTC-UHFFFAOYSA-N 2 2 280.416 1.021 20 30 CDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)C#N ZINC000112921572 391281465 /nfs/dbraw/zinc/28/14/65/391281465.db2.gz QFGJBXZNLVIMTC-UHFFFAOYSA-N 2 2 280.416 1.021 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428805 391299236 /nfs/dbraw/zinc/29/92/36/391299236.db2.gz PDXGCPOYQXQKKE-DZGCQCFKSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428805 391299237 /nfs/dbraw/zinc/29/92/37/391299237.db2.gz PDXGCPOYQXQKKE-DZGCQCFKSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428805 391299238 /nfs/dbraw/zinc/29/92/38/391299238.db2.gz PDXGCPOYQXQKKE-DZGCQCFKSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428805 391299239 /nfs/dbraw/zinc/29/92/39/391299239.db2.gz PDXGCPOYQXQKKE-DZGCQCFKSA-N 2 2 265.401 1.095 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339440269 391303535 /nfs/dbraw/zinc/30/35/35/391303535.db2.gz PNBKQOXSNKDOSU-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339440269 391303540 /nfs/dbraw/zinc/30/35/40/391303540.db2.gz PNBKQOXSNKDOSU-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339440269 391303544 /nfs/dbraw/zinc/30/35/44/391303544.db2.gz PNBKQOXSNKDOSU-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339440269 391303548 /nfs/dbraw/zinc/30/35/48/391303548.db2.gz PNBKQOXSNKDOSU-INIZCTEOSA-N 2 2 292.427 1.166 20 30 CDEDLP C[C@@H]1C[NH+](CCOC2CC[NH+](CCC#N)CC2)C[C@@H](C)O1 ZINC000358877255 391566272 /nfs/dbraw/zinc/56/62/72/391566272.db2.gz VVOWFCXRCJFBCD-HUUCEWRRSA-N 2 2 295.427 1.490 20 30 CDEDLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH+]1CCOCC1)C2 ZINC000329778465 391776686 /nfs/dbraw/zinc/77/66/86/391776686.db2.gz LEAPJTINHSUANS-CYBMUJFWSA-N 2 2 292.383 1.043 20 30 CDEDLP C=CCOc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1OC ZINC000414957368 263161885 /nfs/dbraw/zinc/16/18/85/263161885.db2.gz QTHLAAIUWTWOTC-NSHDSACASA-N 2 2 250.342 1.697 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000330807569 264043277 /nfs/dbraw/zinc/04/32/77/264043277.db2.gz IFDNECDTBBXHSW-GFCCVEGCSA-N 2 2 292.383 1.173 20 30 CDEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000330807569 264043279 /nfs/dbraw/zinc/04/32/79/264043279.db2.gz IFDNECDTBBXHSW-GFCCVEGCSA-N 2 2 292.383 1.173 20 30 CDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCC[C@H](C)C1 ZINC000072873429 264273237 /nfs/dbraw/zinc/27/32/37/264273237.db2.gz JJVVMJLHEJGWAM-ZDUSSCGKSA-N 2 2 263.389 1.581 20 30 CDEDLP CC(C)CNC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267275884 328177028 /nfs/dbraw/zinc/17/70/28/328177028.db2.gz FWEKTCWRNALNEL-UHFFFAOYSA-N 2 2 280.391 1.818 20 30 CDEDLP CC(C)CNC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267275884 328177030 /nfs/dbraw/zinc/17/70/30/328177030.db2.gz FWEKTCWRNALNEL-UHFFFAOYSA-N 2 2 280.391 1.818 20 30 CDEDLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000579369643 324171375 /nfs/dbraw/zinc/17/13/75/324171375.db2.gz IMEGJJIRNWGKMX-CZUORRHYSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000579369643 324171378 /nfs/dbraw/zinc/17/13/78/324171378.db2.gz IMEGJJIRNWGKMX-CZUORRHYSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000579369643 324171381 /nfs/dbraw/zinc/17/13/81/324171381.db2.gz IMEGJJIRNWGKMX-CZUORRHYSA-N 2 2 275.396 1.864 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000579369643 324171384 /nfs/dbraw/zinc/17/13/84/324171384.db2.gz IMEGJJIRNWGKMX-CZUORRHYSA-N 2 2 275.396 1.864 20 30 CDEDLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2C1 ZINC000424151731 330297104 /nfs/dbraw/zinc/29/71/04/330297104.db2.gz HUTJDLXIBWBQFK-AWEZNQCLSA-N 2 2 286.379 1.486 20 30 CDEDLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2C1 ZINC000424151731 330297105 /nfs/dbraw/zinc/29/71/05/330297105.db2.gz HUTJDLXIBWBQFK-AWEZNQCLSA-N 2 2 286.379 1.486 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000328127067 330322638 /nfs/dbraw/zinc/32/26/38/330322638.db2.gz UROSGSGKOUYDKR-SOUVJXGZSA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000328127067 330322639 /nfs/dbraw/zinc/32/26/39/330322639.db2.gz UROSGSGKOUYDKR-SOUVJXGZSA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000328127067 330322640 /nfs/dbraw/zinc/32/26/40/330322640.db2.gz UROSGSGKOUYDKR-SOUVJXGZSA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000328127067 330322641 /nfs/dbraw/zinc/32/26/41/330322641.db2.gz UROSGSGKOUYDKR-SOUVJXGZSA-N 3 2 251.418 1.260 20 30 CDEDLP C=CCn1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)nn1 ZINC000424385994 330349473 /nfs/dbraw/zinc/34/94/73/330349473.db2.gz XBMFRUDNSVHAMI-ZIAGYGMSSA-N 2 2 277.416 1.865 20 30 CDEDLP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000442774974 330782104 /nfs/dbraw/zinc/78/21/04/330782104.db2.gz FQBYOFUJBDXUQD-HOCLYGCPSA-N 3 2 290.455 1.827 20 30 CDEDLP C#CC[NH+](CC#C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491439023 332211428 /nfs/dbraw/zinc/21/14/28/332211428.db2.gz HQNINVOTPJKANX-UHFFFAOYSA-N 2 2 282.387 1.587 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000491453554 332214638 /nfs/dbraw/zinc/21/46/38/332214638.db2.gz SJJPNHCZTCKVOG-MRXNPFEDSA-N 2 2 293.455 1.616 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000264120134 518085614 /nfs/dbraw/zinc/08/56/14/518085614.db2.gz QXOLSVQIIMLEJN-WDEREUQCSA-N 2 2 284.429 1.290 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000111240779 527605706 /nfs/dbraw/zinc/60/57/06/527605706.db2.gz VBEHHAQGDUILCH-UHFFFAOYSA-N 2 2 293.455 1.993 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000111240779 527605712 /nfs/dbraw/zinc/60/57/12/527605712.db2.gz VBEHHAQGDUILCH-UHFFFAOYSA-N 2 2 293.455 1.993 20 30 CDEDLP C=C(C)CNC(=S)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000749006921 576932055 /nfs/dbraw/zinc/93/20/55/576932055.db2.gz ZOFVOIYVNPVUEM-UHFFFAOYSA-N 2 2 284.473 1.053 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000950727757 612990197 /nfs/dbraw/zinc/99/01/97/612990197.db2.gz QPAHSIFRJOTTJC-UHFFFAOYSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981146841 613153830 /nfs/dbraw/zinc/15/38/30/613153830.db2.gz FYMDJJDAUPDWPH-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981146841 613153832 /nfs/dbraw/zinc/15/38/32/613153832.db2.gz FYMDJJDAUPDWPH-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981146841 613153834 /nfs/dbraw/zinc/15/38/34/613153834.db2.gz FYMDJJDAUPDWPH-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981146841 613153836 /nfs/dbraw/zinc/15/38/36/613153836.db2.gz FYMDJJDAUPDWPH-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459562 613246781 /nfs/dbraw/zinc/24/67/81/613246781.db2.gz MSNLVZHPDGFNDU-HOTGVXAUSA-N 2 2 291.439 1.178 20 30 CDEDLP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459562 613246782 /nfs/dbraw/zinc/24/67/82/613246782.db2.gz MSNLVZHPDGFNDU-HOTGVXAUSA-N 2 2 291.439 1.178 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000957761448 613316516 /nfs/dbraw/zinc/31/65/16/613316516.db2.gz NCLXMDRIYOGPFV-GJZGRUSLSA-N 2 2 279.428 1.580 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939533660 613386288 /nfs/dbraw/zinc/38/62/88/613386288.db2.gz DADVXBLWILGRAR-ZWNOBZJWSA-N 2 2 296.802 1.152 20 30 CDEDLP C=CCC[NH+]1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000949904067 613513148 /nfs/dbraw/zinc/51/31/48/613513148.db2.gz DSMKFFNBQRRTGV-UHFFFAOYSA-N 2 2 291.395 1.675 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968543599 613531718 /nfs/dbraw/zinc/53/17/18/613531718.db2.gz DGHICTBIAGKXGU-DZGCQCFKSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968543599 613531720 /nfs/dbraw/zinc/53/17/20/613531720.db2.gz DGHICTBIAGKXGU-DZGCQCFKSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981330629 613695011 /nfs/dbraw/zinc/69/50/11/613695011.db2.gz GATGQRAINBCOIR-CQSZACIVSA-N 2 2 288.395 1.481 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981330629 613695012 /nfs/dbraw/zinc/69/50/12/613695012.db2.gz GATGQRAINBCOIR-CQSZACIVSA-N 2 2 288.395 1.481 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130269073 1162588285 /nfs/dbraw/zinc/58/82/85/1162588285.db2.gz XECVVKOMTDTLTP-UHFFFAOYSA-N 2 2 258.325 1.458 20 30 CDEDLP C=C(C)C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976287 1163126982 /nfs/dbraw/zinc/12/69/82/1163126982.db2.gz KEGKLSANYUKLRR-UHFFFAOYSA-N 2 2 284.363 1.768 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001752942899 1161978331 /nfs/dbraw/zinc/97/83/31/1161978331.db2.gz HFWXKQQJCZESHG-UONOGXRCSA-N 2 2 288.395 1.070 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113353128 1162161371 /nfs/dbraw/zinc/16/13/71/1162161371.db2.gz NUWAFVXUTSBMFF-UHFFFAOYSA-N 2 2 267.417 1.295 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113353128 1162161373 /nfs/dbraw/zinc/16/13/73/1162161373.db2.gz NUWAFVXUTSBMFF-UHFFFAOYSA-N 2 2 267.417 1.295 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222173 1163204395 /nfs/dbraw/zinc/20/43/95/1163204395.db2.gz UUXIBYAONIGHRI-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222173 1163204396 /nfs/dbraw/zinc/20/43/96/1163204396.db2.gz UUXIBYAONIGHRI-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135556497 1164154404 /nfs/dbraw/zinc/15/44/04/1164154404.db2.gz GAIPCMOFEVOWJS-VXGBXAGGSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001752518463 1184875323 /nfs/dbraw/zinc/87/53/23/1184875323.db2.gz UVPIJTCCNRQCSK-CQSZACIVSA-N 2 2 290.411 1.699 20 30 CDEDLP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001752518463 1184875330 /nfs/dbraw/zinc/87/53/30/1184875330.db2.gz UVPIJTCCNRQCSK-CQSZACIVSA-N 2 2 290.411 1.699 20 30 CDEDLP C=CCC[NH2+][C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001752872665 1184945416 /nfs/dbraw/zinc/94/54/16/1184945416.db2.gz HWZBGAWODLLHQO-LBPRGKRZSA-N 2 2 286.379 1.927 20 30 CDEDLP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001752882310 1184949070 /nfs/dbraw/zinc/94/90/70/1184949070.db2.gz SBQDLTSTLIAPDS-STQMWFEESA-N 2 2 276.384 1.116 20 30 CDEDLP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001753070762 1185037248 /nfs/dbraw/zinc/03/72/48/1185037248.db2.gz MYDWUQMOUBUUML-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001753070762 1185037255 /nfs/dbraw/zinc/03/72/55/1185037255.db2.gz MYDWUQMOUBUUML-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753424818 1185200198 /nfs/dbraw/zinc/20/01/98/1185200198.db2.gz IDMREYXNGHMZNA-KBPBESRZSA-N 2 2 279.428 1.435 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001753424818 1185200203 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CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001755668874 1186030903 /nfs/dbraw/zinc/03/09/03/1186030903.db2.gz HDGSUVSOPIDGTQ-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C#CCC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001755840449 1186086266 /nfs/dbraw/zinc/08/62/66/1186086266.db2.gz ZBANEKPRLXZNCL-ZDUSSCGKSA-N 2 2 276.384 1.027 20 30 CDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303980223 773778910 /nfs/dbraw/zinc/77/89/10/773778910.db2.gz NWZWETVKKOJGGS-UHFFFAOYSA-N 2 2 280.372 1.000 20 30 CDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303980223 773778921 /nfs/dbraw/zinc/77/89/21/773778921.db2.gz NWZWETVKKOJGGS-UHFFFAOYSA-N 2 2 280.372 1.000 20 30 CDEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989662132 773811610 /nfs/dbraw/zinc/81/16/10/773811610.db2.gz PTCFZMMIDKYLJT-CYBMUJFWSA-N 2 2 285.819 1.225 20 30 CDEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989662132 773811614 /nfs/dbraw/zinc/81/16/14/773811614.db2.gz 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30 CDEDLP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046430427 779257233 /nfs/dbraw/zinc/25/72/33/779257233.db2.gz AXUUMAALAFYLOU-XJKSGUPXSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036854750 779298890 /nfs/dbraw/zinc/29/88/90/779298890.db2.gz QHONQQNCLYEASU-ZIAGYGMSSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036854750 779298899 /nfs/dbraw/zinc/29/88/99/779298899.db2.gz QHONQQNCLYEASU-ZIAGYGMSSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009710099 779341173 /nfs/dbraw/zinc/34/11/73/779341173.db2.gz RNMPZHSPINXOGI-CYBMUJFWSA-N 2 2 262.357 1.040 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009710099 779341179 /nfs/dbraw/zinc/34/11/79/779341179.db2.gz RNMPZHSPINXOGI-CYBMUJFWSA-N 2 2 262.357 1.040 20 30 CDEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]12 ZINC001026252385 779434402 /nfs/dbraw/zinc/43/44/02/779434402.db2.gz QVXFGRKOCVEROJ-HZSPNIEDSA-N 2 2 288.395 1.355 20 30 CDEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024796469 779460987 /nfs/dbraw/zinc/46/09/87/779460987.db2.gz BCMVIBQDQOWYJF-ZIAGYGMSSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024796469 779460998 /nfs/dbraw/zinc/46/09/98/779460998.db2.gz BCMVIBQDQOWYJF-ZIAGYGMSSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024796469 779461004 /nfs/dbraw/zinc/46/10/04/779461004.db2.gz BCMVIBQDQOWYJF-ZIAGYGMSSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024796469 779461008 /nfs/dbraw/zinc/46/10/08/779461008.db2.gz BCMVIBQDQOWYJF-ZIAGYGMSSA-N 2 2 299.846 1.661 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038652223 779525499 /nfs/dbraw/zinc/52/54/99/779525499.db2.gz OEKUGBAZRCSUCX-ZDUSSCGKSA-N 2 2 277.368 1.331 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038652223 779525507 /nfs/dbraw/zinc/52/55/07/779525507.db2.gz OEKUGBAZRCSUCX-ZDUSSCGKSA-N 2 2 277.368 1.331 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000380876126 779901302 /nfs/dbraw/zinc/90/13/02/779901302.db2.gz ZOIYSIBTRQXBPY-UHFFFAOYSA-N 2 2 274.412 1.819 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000380876126 779901303 /nfs/dbraw/zinc/90/13/03/779901303.db2.gz ZOIYSIBTRQXBPY-UHFFFAOYSA-N 2 2 274.412 1.819 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021698040 779965953 /nfs/dbraw/zinc/96/59/53/779965953.db2.gz AMMRCKICPYGIIM-ZIAGYGMSSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021698040 779965973 /nfs/dbraw/zinc/96/59/73/779965973.db2.gz AMMRCKICPYGIIM-ZIAGYGMSSA-N 2 2 288.395 1.451 20 30 CDEDLP C#CCN1CCC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000886211372 779967568 /nfs/dbraw/zinc/96/75/68/779967568.db2.gz NVVYNDQRJOVMBO-OAHLLOKOSA-N 2 2 272.396 1.335 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994232314 780080246 /nfs/dbraw/zinc/08/02/46/780080246.db2.gz PNZYRBVWROTQOF-ZFWWWQNUSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994232314 780080257 /nfs/dbraw/zinc/08/02/57/780080257.db2.gz PNZYRBVWROTQOF-ZFWWWQNUSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001022310835 780094029 /nfs/dbraw/zinc/09/40/29/780094029.db2.gz KBSWDFKUZXDXKE-MCIONIFRSA-N 2 2 288.395 1.258 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000989181743 780109461 /nfs/dbraw/zinc/10/94/61/780109461.db2.gz KOUQIYFRVAYEHC-CHWSQXEVSA-N 2 2 284.363 1.713 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014988917 780116641 /nfs/dbraw/zinc/11/66/41/780116641.db2.gz DFMIALSVVNJQNX-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014988917 780116654 /nfs/dbraw/zinc/11/66/54/780116654.db2.gz DFMIALSVVNJQNX-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829619 914280484 /nfs/dbraw/zinc/28/04/84/914280484.db2.gz OUBSAJPMBYECDI-CYBMUJFWSA-N 2 2 264.373 1.334 20 30 CDEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176828838 914284757 /nfs/dbraw/zinc/28/47/57/914284757.db2.gz FAPYPHJDBKFKFG-ZDUSSCGKSA-N 2 2 298.818 1.900 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177064040 914469663 /nfs/dbraw/zinc/46/96/63/914469663.db2.gz KKKWVLLDADINIT-OAHLLOKOSA-N 2 2 290.411 1.356 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC001087847390 905904826 /nfs/dbraw/zinc/90/48/26/905904826.db2.gz OYPWEEVKDOUOMM-QWHCGFSZSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC001087847390 905904836 /nfs/dbraw/zinc/90/48/36/905904836.db2.gz OYPWEEVKDOUOMM-QWHCGFSZSA-N 2 2 262.357 1.038 20 30 CDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849564 911936385 /nfs/dbraw/zinc/93/63/85/911936385.db2.gz WQJXEPITDREOJT-AGIUHOORSA-N 2 2 286.379 1.042 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849564 911936396 /nfs/dbraw/zinc/93/63/96/911936396.db2.gz WQJXEPITDREOJT-AGIUHOORSA-N 2 2 286.379 1.042 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001483954122 915237036 /nfs/dbraw/zinc/23/70/36/915237036.db2.gz VHVHUPHZYKVMGB-LBPRGKRZSA-N 2 2 296.802 1.594 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078762210 920455887 /nfs/dbraw/zinc/45/58/87/920455887.db2.gz YAWBDORSSIEPMF-STQMWFEESA-N 2 2 288.395 1.545 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188346646 920986388 /nfs/dbraw/zinc/98/63/88/920986388.db2.gz TUYCNOXAWMRAJB-OAHLLOKOSA-N 2 2 290.411 1.820 20 30 CDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034503044 922654116 /nfs/dbraw/zinc/65/41/16/922654116.db2.gz LVYQRHPWWOBZFM-CQSZACIVSA-N 2 2 288.395 1.255 20 30 CDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034503044 922654118 /nfs/dbraw/zinc/65/41/18/922654118.db2.gz LVYQRHPWWOBZFM-CQSZACIVSA-N 2 2 288.395 1.255 20 30 CDEDLP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048337 923404988 /nfs/dbraw/zinc/40/49/88/923404988.db2.gz OXWVHQANSSGVGD-KGLIPLIRSA-N 2 2 290.411 1.840 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048337 923404995 /nfs/dbraw/zinc/40/49/95/923404995.db2.gz OXWVHQANSSGVGD-KGLIPLIRSA-N 2 2 290.411 1.840 20 30 CDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110506654 925400928 /nfs/dbraw/zinc/40/09/28/925400928.db2.gz ZNZNLTKGKOLIND-MCIONIFRSA-N 2 2 288.395 1.640 20 30 CDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110506654 925400931 /nfs/dbraw/zinc/40/09/31/925400931.db2.gz ZNZNLTKGKOLIND-MCIONIFRSA-N 2 2 288.395 1.640 20 30 CDEDLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001205842418 925439187 /nfs/dbraw/zinc/43/91/87/925439187.db2.gz NJOBBGFCIHKRMB-SMDDNHRTSA-N 2 2 259.353 1.823 20 30 CDEDLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001205842418 925439191 /nfs/dbraw/zinc/43/91/91/925439191.db2.gz NJOBBGFCIHKRMB-SMDDNHRTSA-N 2 2 259.353 1.823 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086147322 926749250 /nfs/dbraw/zinc/74/92/50/926749250.db2.gz CJCBAOBZKWSSOY-BETUJISGSA-N 2 2 282.347 1.066 20 30 CDEDLP C#CCCN1CCC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1=O ZINC001169239029 927872504 /nfs/dbraw/zinc/87/25/04/927872504.db2.gz PVKNYAOHDZDGGE-OAHLLOKOSA-N 2 2 277.412 1.075 20 30 CDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115341510 937352502 /nfs/dbraw/zinc/35/25/02/937352502.db2.gz FGUPMMDAJSVFGO-FOLVSLTJSA-N 2 2 288.395 1.286 20 30 CDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115341510 937352506 /nfs/dbraw/zinc/35/25/06/937352506.db2.gz FGUPMMDAJSVFGO-FOLVSLTJSA-N 2 2 288.395 1.286 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618397 937377018 /nfs/dbraw/zinc/37/70/18/937377018.db2.gz MLVXVZHRQWFXBU-HNNXBMFYSA-N 2 2 290.411 1.356 20 30 CDEDLP C=CCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115748949 937417983 /nfs/dbraw/zinc/41/79/83/937417983.db2.gz IMRDQSZMEQVMCC-UHFFFAOYSA-N 2 2 290.411 1.937 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274964321 931618244 /nfs/dbraw/zinc/61/82/44/931618244.db2.gz IQBMXVAGKBUEPC-IYBDPMFKSA-N 2 2 290.411 1.234 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274964321 931618246 /nfs/dbraw/zinc/61/82/46/931618246.db2.gz IQBMXVAGKBUEPC-IYBDPMFKSA-N 2 2 290.411 1.234 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151296 931713957 /nfs/dbraw/zinc/71/39/57/931713957.db2.gz HABWBOJUJJRWAY-ZDUSSCGKSA-N 2 2 276.384 1.240 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151296 931713963 /nfs/dbraw/zinc/71/39/63/931713963.db2.gz HABWBOJUJJRWAY-ZDUSSCGKSA-N 2 2 276.384 1.240 20 30 CDEDLP COc1ccnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1C#N ZINC001155057314 937628935 /nfs/dbraw/zinc/62/89/35/937628935.db2.gz CSFNXMOPZXLVMX-UHFFFAOYSA-N 2 2 283.335 1.615 20 30 CDEDLP C[NH+](C)C1(CNc2cc(CC#N)ccn2)CC[NH+](C)CC1 ZINC001156185603 938330399 /nfs/dbraw/zinc/33/03/99/938330399.db2.gz TZLVSZJSLFTTHF-UHFFFAOYSA-N 2 2 287.411 1.586 20 30 CDEDLP C#CC1CCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CC1 ZINC001160912664 938842224 /nfs/dbraw/zinc/84/22/24/938842224.db2.gz MKUQAMDVSKMSRT-HNNXBMFYSA-N 2 2 271.364 1.131 20 30 CDEDLP C=CCCCCC[C@H]([NH3+])C(=O)N(CC)C1C[NH+](C)C1 ZINC001161134725 938874336 /nfs/dbraw/zinc/87/43/36/938874336.db2.gz KPIONLAXZDDVQA-AWEZNQCLSA-N 2 2 267.417 1.613 20 30 CDEDLP C=CC[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784761 938932583 /nfs/dbraw/zinc/93/25/83/938932583.db2.gz JAEKWPHVQUBMIL-UHFFFAOYSA-N 2 2 288.395 1.585 20 30 CDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784761 938932585 /nfs/dbraw/zinc/93/25/85/938932585.db2.gz JAEKWPHVQUBMIL-UHFFFAOYSA-N 2 2 288.395 1.585 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593988 939291324 /nfs/dbraw/zinc/29/13/24/939291324.db2.gz PYCSEDPRGXPYDP-UHFFFAOYSA-N 2 2 264.373 1.335 20 30 CDEDLP Cc1[nH+]c(N2CC[C@H]([NH3+])C(F)(F)C2)ccc1CC#N ZINC001166960328 939661253 /nfs/dbraw/zinc/66/12/53/939661253.db2.gz IRSIIZAHJYHKTO-NSHDSACASA-N 2 2 266.295 1.629 20 30 CDEDLP N#CC1(CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCC1 ZINC001219632883 941366288 /nfs/dbraw/zinc/36/62/88/941366288.db2.gz SKNMWPQVFKGZBK-CYBMUJFWSA-N 2 2 272.352 1.069 20 30 CDEDLP C=CC[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)c1ccccc1 ZINC001221361858 941521726 /nfs/dbraw/zinc/52/17/26/941521726.db2.gz YPQNLHVRKFUTTK-CQSZACIVSA-N 2 2 273.380 1.501 20 30 CDEDLP N#CCc1ccccc1C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222511219 941606833 /nfs/dbraw/zinc/60/68/33/941606833.db2.gz UODHCNKTRZMISF-IRXDYDNUSA-N 2 2 284.407 1.278 20 30 CDEDLP N#CCc1ccccc1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222511219 941606836 /nfs/dbraw/zinc/60/68/36/941606836.db2.gz UODHCNKTRZMISF-IRXDYDNUSA-N 2 2 284.407 1.278 20 30 CDEDLP Cn1c[nH+]cc1C1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001263330375 943833496 /nfs/dbraw/zinc/83/34/96/943833496.db2.gz JHFMYXSWLBFALD-ZDUSSCGKSA-N 2 2 289.383 1.147 20 30 CDEDLP C[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc3ccccc3n2)C1 ZINC001255424464 947874804 /nfs/dbraw/zinc/87/48/04/947874804.db2.gz VJRVZMFRXHQLTA-GFCCVEGCSA-N 2 2 254.337 1.644 20 30 CDEDLP C[C@H]1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)C[NH2+]1 ZINC001246325075 948106116 /nfs/dbraw/zinc/10/61/16/948106116.db2.gz IAIBFUSAQPTNKP-GXTWGEPZSA-N 2 2 259.353 1.667 20 30 CDEDLP C[C@H]1CC[C@@H]([NH2+]CCOc2ccccc2C#N)C[NH2+]1 ZINC001246330799 948110739 /nfs/dbraw/zinc/11/07/39/948110739.db2.gz VEEGITAOEYTHFV-GXTWGEPZSA-N 2 2 259.353 1.667 20 30 CDEDLP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256207271 948236169 /nfs/dbraw/zinc/23/61/69/948236169.db2.gz FQEVFMDFZIYCSV-SJORKVTESA-N 2 2 294.439 1.907 20 30 CDEDLP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256207271 948236175 /nfs/dbraw/zinc/23/61/75/948236175.db2.gz FQEVFMDFZIYCSV-SJORKVTESA-N 2 2 294.439 1.907 20 30 CDEDLP C#CCOC[C@H](O)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001251860729 950887648 /nfs/dbraw/zinc/88/76/48/950887648.db2.gz SPKRNTJTBOKCIA-QGZVFWFLSA-N 2 2 294.439 1.336 20 30 CDEDLP C#CCOC[C@H](O)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001251860729 950887662 /nfs/dbraw/zinc/88/76/62/950887662.db2.gz SPKRNTJTBOKCIA-QGZVFWFLSA-N 2 2 294.439 1.336 20 30 CDEDLP C#Cc1cccc(C[NH2+]C[C@H](O)C[NH+](CC)CC)c1 ZINC001253207278 951804613 /nfs/dbraw/zinc/80/46/13/951804613.db2.gz CYIAXOGSRITVFV-INIZCTEOSA-N 2 2 260.381 1.460 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC001253215877 951816437 /nfs/dbraw/zinc/81/64/37/951816437.db2.gz AXDKOAOYHOQAFD-LBPRGKRZSA-N 2 2 267.398 1.412 20 30 CDEDLP CC[NH+](CC)CC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001325891759 954128065 /nfs/dbraw/zinc/12/80/65/954128065.db2.gz NXOYKFWUNKHBRI-UHFFFAOYSA-N 2 2 288.395 1.818 20 30 CDEDLP N#CCCC[C@@H]([NH3+])c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001325895310 954130859 /nfs/dbraw/zinc/13/08/59/954130859.db2.gz GZFKSGMMBCMAHS-NWDGAFQWSA-N 2 2 275.356 1.572 20 30 CDEDLP N#CCCC[C@@H]([NH3+])c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001326488004 954404203 /nfs/dbraw/zinc/40/42/03/954404203.db2.gz XAFBNIRNGFTKSZ-NEPJUHHUSA-N 2 2 271.324 1.811 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001336732131 960516580 /nfs/dbraw/zinc/51/65/80/960516580.db2.gz AOFAHBQYSJBKHQ-ZDUSSCGKSA-N 2 2 276.384 1.027 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421255716 963521673 /nfs/dbraw/zinc/52/16/73/963521673.db2.gz WFDDOYZSFLAOOZ-CQSZACIVSA-N 2 2 296.802 1.533 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001438875112 963587814 /nfs/dbraw/zinc/58/78/14/963587814.db2.gz USRZOVTVKFYHSN-CHWSQXEVSA-N 2 2 287.835 1.469 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001438875112 963587819 /nfs/dbraw/zinc/58/78/19/963587819.db2.gz USRZOVTVKFYHSN-CHWSQXEVSA-N 2 2 287.835 1.469 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001438875112 963587820 /nfs/dbraw/zinc/58/78/20/963587820.db2.gz USRZOVTVKFYHSN-CHWSQXEVSA-N 2 2 287.835 1.469 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001438875112 963587826 /nfs/dbraw/zinc/58/78/26/963587826.db2.gz USRZOVTVKFYHSN-CHWSQXEVSA-N 2 2 287.835 1.469 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001378397037 975345731 /nfs/dbraw/zinc/34/57/31/975345731.db2.gz GJTKJVUXKPNZFN-AWEZNQCLSA-N 2 2 296.802 1.579 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001391627259 976991700 /nfs/dbraw/zinc/99/17/00/976991700.db2.gz BSPMZCVERWXHKS-ZDUSSCGKSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001391627259 976991712 /nfs/dbraw/zinc/99/17/12/976991712.db2.gz BSPMZCVERWXHKS-ZDUSSCGKSA-N 2 2 287.835 1.613 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(F)c1 ZINC000591570705 342637270 /nfs/dbraw/zinc/63/72/70/342637270.db2.gz DHHWSRWNEUVKKB-HZPDHXFCSA-N 2 2 289.354 1.554 20 30 CDEDLP C[C@@H](NC(=O)NCc1[nH+]ccn1C)C1=CC[N@H+](C)CC1 ZINC000329703341 361875756 /nfs/dbraw/zinc/87/57/56/361875756.db2.gz IQPMURUOSCUROG-LLVKDONJSA-N 2 2 277.372 1.074 20 30 CDEDLP C[C@@H](NC(=O)NCc1[nH+]ccn1C)C1=CC[N@@H+](C)CC1 ZINC000329703341 361875764 /nfs/dbraw/zinc/87/57/64/361875764.db2.gz IQPMURUOSCUROG-LLVKDONJSA-N 2 2 277.372 1.074 20 30 CDEDLP Cc1c[nH+]c2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)ccn12 ZINC000594282005 342884480 /nfs/dbraw/zinc/88/44/80/342884480.db2.gz MEPGRNUBZMWPRG-UHFFFAOYSA-N 2 2 297.362 1.361 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601968443 344299167 /nfs/dbraw/zinc/29/91/67/344299167.db2.gz ZQUGLYDAASUXJJ-GOEBONIOSA-N 2 2 273.380 1.373 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601968443 344299169 /nfs/dbraw/zinc/29/91/69/344299169.db2.gz ZQUGLYDAASUXJJ-GOEBONIOSA-N 2 2 273.380 1.373 20 30 CDEDLP C[NH+]1CCC(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330190854 530048374 /nfs/dbraw/zinc/04/83/74/530048374.db2.gz WOIZKLSWHVRYCP-CYBMUJFWSA-N 2 2 276.384 1.886 20 30 CDEDLP COC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000618571567 345056197 /nfs/dbraw/zinc/05/61/97/345056197.db2.gz JYYSYUAOPCVWFY-UONOGXRCSA-N 2 2 265.401 1.769 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449397374 362694508 /nfs/dbraw/zinc/69/45/08/362694508.db2.gz PXQHIOOPVXVCTQ-HZSPNIEDSA-N 2 2 251.374 1.115 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449397374 362694512 /nfs/dbraw/zinc/69/45/12/362694512.db2.gz PXQHIOOPVXVCTQ-HZSPNIEDSA-N 2 2 251.374 1.115 20 30 CDEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(CCC#N)CC1 ZINC000611175417 346631206 /nfs/dbraw/zinc/63/12/06/346631206.db2.gz XWMWAQZDKPIBCA-HNNXBMFYSA-N 2 2 264.417 1.392 20 30 CDEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(CCC#N)CC1 ZINC000611175417 346631209 /nfs/dbraw/zinc/63/12/09/346631209.db2.gz XWMWAQZDKPIBCA-HNNXBMFYSA-N 2 2 264.417 1.392 20 30 CDEDLP C[C@@H]1Cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CCC#N)c2C[C@@H]1C ZINC000414128743 362921484 /nfs/dbraw/zinc/92/14/84/362921484.db2.gz SMVGURZCKCICQZ-RDBSUJKOSA-N 2 2 290.411 1.460 20 30 CDEDLP C[C@@H]1Cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CCC#N)c2C[C@@H]1C ZINC000414128743 362921488 /nfs/dbraw/zinc/92/14/88/362921488.db2.gz SMVGURZCKCICQZ-RDBSUJKOSA-N 2 2 290.411 1.460 20 30 CDEDLP CCCNC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264068706 362956902 /nfs/dbraw/zinc/95/69/02/362956902.db2.gz CIPQUUNWNPHIKO-CYBMUJFWSA-N 2 2 266.364 1.743 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264111609 362969474 /nfs/dbraw/zinc/96/94/74/362969474.db2.gz QVWZEOBGLMTCEN-LBPRGKRZSA-N 2 2 266.414 1.831 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)co1 ZINC000294933903 199257865 /nfs/dbraw/zinc/25/78/65/199257865.db2.gz HQAVVUMXPZHAQR-LBPRGKRZSA-N 2 2 278.352 1.672 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)co1 ZINC000294933903 199257867 /nfs/dbraw/zinc/25/78/67/199257867.db2.gz HQAVVUMXPZHAQR-LBPRGKRZSA-N 2 2 278.352 1.672 20 30 CDEDLP C=CCOCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337415603 360102954 /nfs/dbraw/zinc/10/29/54/360102954.db2.gz RFTBMYBXYJDNMB-INIZCTEOSA-N 2 2 282.428 1.623 20 30 CDEDLP C=CCOCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337415603 360102958 /nfs/dbraw/zinc/10/29/58/360102958.db2.gz RFTBMYBXYJDNMB-INIZCTEOSA-N 2 2 282.428 1.623 20 30 CDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCNC(=O)CC1)C(C)C ZINC000634952332 360545865 /nfs/dbraw/zinc/54/58/65/360545865.db2.gz VUOOFRBTEWSYJD-HOTGVXAUSA-N 2 2 293.455 1.943 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C2CCC(C(=O)OC)CC2)CC1 ZINC000192442088 361664779 /nfs/dbraw/zinc/66/47/79/361664779.db2.gz XPIKYVJPJJRBFU-UHFFFAOYSA-N 2 2 280.412 1.958 20 30 CDEDLP CC1(C)C[N@H+](CCNC(=[NH2+])Nc2ccccc2)CCO1 ZINC000171146128 365214636 /nfs/dbraw/zinc/21/46/36/365214636.db2.gz OHTCRNVGRRMLFK-UHFFFAOYSA-N 2 2 276.384 1.524 20 30 CDEDLP CC1(C)C[N@@H+](CCNC(=[NH2+])Nc2ccccc2)CCO1 ZINC000171146128 365214643 /nfs/dbraw/zinc/21/46/43/365214643.db2.gz OHTCRNVGRRMLFK-UHFFFAOYSA-N 2 2 276.384 1.524 20 30 CDEDLP CC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000421889532 374338668 /nfs/dbraw/zinc/33/86/68/374338668.db2.gz XJVXTXFIOWNZOF-QGZVFWFLSA-N 2 2 287.407 1.883 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1C#N ZINC000282229409 375073691 /nfs/dbraw/zinc/07/36/91/375073691.db2.gz IKLWLDMGIOQHAN-CQSZACIVSA-N 2 2 273.380 1.950 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1C#N ZINC000282229409 375073701 /nfs/dbraw/zinc/07/37/01/375073701.db2.gz IKLWLDMGIOQHAN-CQSZACIVSA-N 2 2 273.380 1.950 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000130392621 377567302 /nfs/dbraw/zinc/56/73/02/377567302.db2.gz ZMQCSRPINMDJGS-UHFFFAOYSA-N 2 2 278.400 1.630 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130392621 377567308 /nfs/dbraw/zinc/56/73/08/377567308.db2.gz ZMQCSRPINMDJGS-UHFFFAOYSA-N 2 2 278.400 1.630 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C(C)(C)n2cncn2)CC1 ZINC000280921960 195030543 /nfs/dbraw/zinc/03/05/43/195030543.db2.gz GKHITZHCYYSNAS-CYBMUJFWSA-N 2 2 277.416 1.642 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000104178275 390487068 /nfs/dbraw/zinc/48/70/68/390487068.db2.gz RPXMTDUGHZBBBW-UHFFFAOYSA-N 2 2 278.425 1.587 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000104178275 390487071 /nfs/dbraw/zinc/48/70/71/390487071.db2.gz RPXMTDUGHZBBBW-UHFFFAOYSA-N 2 2 278.425 1.587 20 30 CDEDLP C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000261986338 391748971 /nfs/dbraw/zinc/74/89/71/391748971.db2.gz KCNDVBAQAGRSGE-OAHLLOKOSA-N 2 2 288.395 1.233 20 30 CDEDLP C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000261986338 391748973 /nfs/dbraw/zinc/74/89/73/391748973.db2.gz KCNDVBAQAGRSGE-OAHLLOKOSA-N 2 2 288.395 1.233 20 30 CDEDLP C#CCNC(NC[C@H](C)[N@@H+]1CCc2sccc2C1)=[NH+]C ZINC000262609186 391799793 /nfs/dbraw/zinc/79/97/93/391799793.db2.gz AGCCYBHNZAJIPF-LBPRGKRZSA-N 2 2 290.436 1.293 20 30 CDEDLP C#CCNC(NC[C@H](C)[N@H+]1CCc2sccc2C1)=[NH+]C ZINC000262609186 391799796 /nfs/dbraw/zinc/79/97/96/391799796.db2.gz AGCCYBHNZAJIPF-LBPRGKRZSA-N 2 2 290.436 1.293 20 30 CDEDLP C[C@H]1C[NH+]=C(NC[C@@H](c2cccc(F)c2)[NH+](C)C)N1 ZINC000262649484 391806660 /nfs/dbraw/zinc/80/66/60/391806660.db2.gz KAFDPJRNOYWMLP-GWCFXTLKSA-N 2 2 264.348 1.366 20 30 CDEDLP COCCC[N@H+](C)CCNc1cc(C)[nH+]cc1C#N ZINC000425240222 393002267 /nfs/dbraw/zinc/00/22/67/393002267.db2.gz YJGAAKPAVDALIG-UHFFFAOYSA-N 2 2 262.357 1.064 20 30 CDEDLP COCCC[N@@H+](C)CCNc1cc(C)[nH+]cc1C#N ZINC000425240222 393002272 /nfs/dbraw/zinc/00/22/72/393002272.db2.gz YJGAAKPAVDALIG-UHFFFAOYSA-N 2 2 262.357 1.064 20 30 CDEDLP N#Cc1csc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665309 147061596 /nfs/dbraw/zinc/06/15/96/147061596.db2.gz WLFUJDUJEDAQBV-CYBMUJFWSA-N 2 2 291.420 1.774 20 30 CDEDLP N#Cc1csc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665309 147061598 /nfs/dbraw/zinc/06/15/98/147061598.db2.gz WLFUJDUJEDAQBV-CYBMUJFWSA-N 2 2 291.420 1.774 20 30 CDEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000359730403 158353681 /nfs/dbraw/zinc/35/36/81/158353681.db2.gz MFCUWBGUQMIUBN-CYBMUJFWSA-N 2 2 276.384 1.097 20 30 CDEDLP Cn1cc[nH+]c1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329171041 227336614 /nfs/dbraw/zinc/33/66/14/227336614.db2.gz JXLWTDJMZTWJNQ-UHFFFAOYSA-N 2 2 277.372 1.051 20 30 CDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329206847 227352486 /nfs/dbraw/zinc/35/24/86/227352486.db2.gz ZRXVDZPXEYVPRL-NEPJUHHUSA-N 2 2 292.383 1.192 20 30 CDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329206847 227352491 /nfs/dbraw/zinc/35/24/91/227352491.db2.gz ZRXVDZPXEYVPRL-NEPJUHHUSA-N 2 2 292.383 1.192 20 30 CDEDLP CCNC(=[NH2+])NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000264079171 262865939 /nfs/dbraw/zinc/86/59/39/262865939.db2.gz IAIWZAIJMJUNPH-CQSZACIVSA-N 2 2 262.401 1.776 20 30 CDEDLP C[NH+](C)CCCN(CCC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC000287651310 263102374 /nfs/dbraw/zinc/10/23/74/263102374.db2.gz GRSHOSFEMUZBSR-UHFFFAOYSA-N 2 2 277.372 1.036 20 30 CDEDLP C=CCN(CC1CCCCC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653090614 423939795 /nfs/dbraw/zinc/93/97/95/423939795.db2.gz VIWNEJVCVLSNDJ-OAHLLOKOSA-N 2 2 281.444 1.860 20 30 CDEDLP CC[N@@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329735197 276161421 /nfs/dbraw/zinc/16/14/21/276161421.db2.gz KUSJHRZRTHBJAA-GFCCVEGCSA-N 2 2 291.399 1.209 20 30 CDEDLP CC[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329735197 276161422 /nfs/dbraw/zinc/16/14/22/276161422.db2.gz KUSJHRZRTHBJAA-GFCCVEGCSA-N 2 2 291.399 1.209 20 30 CDEDLP CC[N@@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329735197 276161423 /nfs/dbraw/zinc/16/14/23/276161423.db2.gz KUSJHRZRTHBJAA-GFCCVEGCSA-N 2 2 291.399 1.209 20 30 CDEDLP CC[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329735197 276161424 /nfs/dbraw/zinc/16/14/24/276161424.db2.gz KUSJHRZRTHBJAA-GFCCVEGCSA-N 2 2 291.399 1.209 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000563365274 328059259 /nfs/dbraw/zinc/05/92/59/328059259.db2.gz PWCAWSNBCLKGLE-ZIAGYGMSSA-N 2 2 265.401 1.864 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000563365274 328059261 /nfs/dbraw/zinc/05/92/61/328059261.db2.gz PWCAWSNBCLKGLE-ZIAGYGMSSA-N 2 2 265.401 1.864 20 30 CDEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@H](C)COC)c1ccco1 ZINC000264078261 328157359 /nfs/dbraw/zinc/15/73/59/328157359.db2.gz GLWUCAOYTHQKLG-OLZOCXBDSA-N 2 2 296.415 1.602 20 30 CDEDLP CCNC(NCCc1cn2ccccc2[nH+]1)=[NH+]CC ZINC000264149405 328157920 /nfs/dbraw/zinc/15/79/20/328157920.db2.gz YSKYIBKRQBGMGS-UHFFFAOYSA-N 2 2 259.357 1.452 20 30 CDEDLP C[C@@H]1C[NH+]=C(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)N1 ZINC000262662934 330025292 /nfs/dbraw/zinc/02/52/92/330025292.db2.gz NJERIRNHSRJCAD-MFKMUULPSA-N 2 2 264.348 1.366 20 30 CDEDLP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCCCCC1 ZINC000263100005 330043518 /nfs/dbraw/zinc/04/35/18/330043518.db2.gz JWYJOXVSXKJZRV-OKILXGFUSA-N 2 2 280.416 1.040 20 30 CDEDLP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCCCCC1 ZINC000263100005 330043520 /nfs/dbraw/zinc/04/35/20/330043520.db2.gz JWYJOXVSXKJZRV-OKILXGFUSA-N 2 2 280.416 1.040 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000424145187 330290279 /nfs/dbraw/zinc/29/02/79/330290279.db2.gz MZJSCPSOGVPVGM-HNNXBMFYSA-N 2 2 297.362 1.510 20 30 CDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(CC#N)CC2)CC1 ZINC000541023975 333759720 /nfs/dbraw/zinc/75/97/20/333759720.db2.gz UDDUEMSYNJNFML-AWEZNQCLSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000577181792 335318010 /nfs/dbraw/zinc/31/80/10/335318010.db2.gz RSBHCISEFVQQIV-CYBMUJFWSA-N 2 2 253.390 1.457 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000577181792 335318012 /nfs/dbraw/zinc/31/80/12/335318012.db2.gz RSBHCISEFVQQIV-CYBMUJFWSA-N 2 2 253.390 1.457 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CC)CC2)CC1 ZINC000748815915 576926719 /nfs/dbraw/zinc/92/67/19/576926719.db2.gz AKIHNSSDBVIZHQ-INIZCTEOSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CC)CC2)CC1 ZINC000748815915 576926720 /nfs/dbraw/zinc/92/67/20/576926720.db2.gz AKIHNSSDBVIZHQ-INIZCTEOSA-N 2 2 291.439 1.276 20 30 CDEDLP Cc1[nH+]cc(C=NN2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000755465663 576946043 /nfs/dbraw/zinc/94/60/43/576946043.db2.gz NGBDTYHBKXNVMJ-UHFFFAOYSA-N 2 2 283.379 1.762 20 30 CDEDLP C[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000758235568 577087343 /nfs/dbraw/zinc/08/73/43/577087343.db2.gz INVCXWMQOSGWRS-ZFWWWQNUSA-N 2 2 297.362 1.457 20 30 CDEDLP C[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000758235568 577087345 /nfs/dbraw/zinc/08/73/45/577087345.db2.gz INVCXWMQOSGWRS-ZFWWWQNUSA-N 2 2 297.362 1.457 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977644665 613273778 /nfs/dbraw/zinc/27/37/78/613273778.db2.gz HFQHOIVBDNXSDO-CQSZACIVSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977644665 613273780 /nfs/dbraw/zinc/27/37/80/613273780.db2.gz HFQHOIVBDNXSDO-CQSZACIVSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947856806 613327900 /nfs/dbraw/zinc/32/79/00/613327900.db2.gz CLVYZYRNKAIKPR-CHWSQXEVSA-N 2 2 276.384 1.497 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947856806 613327901 /nfs/dbraw/zinc/32/79/01/613327901.db2.gz CLVYZYRNKAIKPR-CHWSQXEVSA-N 2 2 276.384 1.497 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943179406 613335164 /nfs/dbraw/zinc/33/51/64/613335164.db2.gz YECPWANIOFNWFF-JSGCOSHPSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943179406 613335165 /nfs/dbraw/zinc/33/51/65/613335165.db2.gz YECPWANIOFNWFF-JSGCOSHPSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944097351 613335180 /nfs/dbraw/zinc/33/51/80/613335180.db2.gz GZQNXBSJIFBAFC-HIFRSBDPSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944097351 613335181 /nfs/dbraw/zinc/33/51/81/613335181.db2.gz GZQNXBSJIFBAFC-HIFRSBDPSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CCC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982050535 613492779 /nfs/dbraw/zinc/49/27/79/613492779.db2.gz AZKSZRUOANVUME-HNNXBMFYSA-N 2 2 290.411 1.945 20 30 CDEDLP C=CCC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982050535 613492783 /nfs/dbraw/zinc/49/27/83/613492783.db2.gz AZKSZRUOANVUME-HNNXBMFYSA-N 2 2 290.411 1.945 20 30 CDEDLP C=CCC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000950961669 613503813 /nfs/dbraw/zinc/50/38/13/613503813.db2.gz FDKXXEVXAKONNK-AWEZNQCLSA-N 2 2 276.384 1.555 20 30 CDEDLP COc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1C#N ZINC000925618790 617564146 /nfs/dbraw/zinc/56/41/46/617564146.db2.gz WMKBGDNKBVGBJU-FZMZJTMJSA-N 2 2 259.353 1.797 20 30 CDEDLP C=CCC[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OCC ZINC000894759383 619042870 /nfs/dbraw/zinc/04/28/70/619042870.db2.gz XSDZEVIBJJKLHW-CQSZACIVSA-N 2 2 268.401 1.816 20 30 CDEDLP CC(C)[NH+]=C(NCCn1cc[nH+]c1)NC(C)(C)C ZINC000912510067 630049376 /nfs/dbraw/zinc/04/93/76/630049376.db2.gz YRXODMJGHQOBIW-UHFFFAOYSA-N 2 2 251.378 1.625 20 30 CDEDLP C=CCCCCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082835 1163165782 /nfs/dbraw/zinc/16/57/82/1163165782.db2.gz XCLUVVZFZGCTRA-UHFFFAOYSA-N 2 2 278.400 1.725 20 30 CDEDLP C=CCCC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001113538537 1162209716 /nfs/dbraw/zinc/20/97/16/1162209716.db2.gz TVCGTUDINZRIQB-UHFFFAOYSA-N 2 2 276.384 1.073 20 30 CDEDLP C=CCCC[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001113597670 1162232418 /nfs/dbraw/zinc/23/24/18/1162232418.db2.gz DFUKGQHRQWWUDU-UHFFFAOYSA-N 2 2 290.411 1.463 20 30 CDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001753449017 1185212277 /nfs/dbraw/zinc/21/22/77/1185212277.db2.gz BGDLHUKLLVAUFF-LSDHHAIUSA-N 2 2 290.411 1.771 20 30 CDEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001753449017 1185212281 /nfs/dbraw/zinc/21/22/81/1185212281.db2.gz BGDLHUKLLVAUFF-LSDHHAIUSA-N 2 2 290.411 1.771 20 30 CDEDLP C=CCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001755111870 1185820085 /nfs/dbraw/zinc/82/00/85/1185820085.db2.gz MHTXTKSLCIMODO-KBPBESRZSA-N 2 2 298.390 1.961 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001755677241 1186034689 /nfs/dbraw/zinc/03/46/89/1186034689.db2.gz WMPJWCAHNCDEGN-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001755677241 1186034696 /nfs/dbraw/zinc/03/46/96/1186034696.db2.gz WMPJWCAHNCDEGN-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001755700817 1186041652 /nfs/dbraw/zinc/04/16/52/1186041652.db2.gz GXNPSVZNLSUCKT-HOCLYGCPSA-N 2 2 288.395 1.642 20 30 CDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001755700817 1186041654 /nfs/dbraw/zinc/04/16/54/1186041654.db2.gz GXNPSVZNLSUCKT-HOCLYGCPSA-N 2 2 288.395 1.642 20 30 CDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001755700817 1186041656 /nfs/dbraw/zinc/04/16/56/1186041656.db2.gz GXNPSVZNLSUCKT-HOCLYGCPSA-N 2 2 288.395 1.642 20 30 CDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001755700817 1186041659 /nfs/dbraw/zinc/04/16/59/1186041659.db2.gz GXNPSVZNLSUCKT-HOCLYGCPSA-N 2 2 288.395 1.642 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134495123 1164088625 /nfs/dbraw/zinc/08/86/25/1164088625.db2.gz QYCZAAZEZNLPPA-LLVKDONJSA-N 2 2 270.764 1.293 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994419511 782498942 /nfs/dbraw/zinc/49/89/42/782498942.db2.gz IRFHNLUMLWRPPL-UKRRQHHQSA-N 2 2 288.395 1.184 20 30 CDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994419511 782498956 /nfs/dbraw/zinc/49/89/56/782498956.db2.gz IRFHNLUMLWRPPL-UKRRQHHQSA-N 2 2 288.395 1.184 20 30 CDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673476 782551947 /nfs/dbraw/zinc/55/19/47/782551947.db2.gz MSSMYAOONJGYML-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673476 782551982 /nfs/dbraw/zinc/55/19/82/782551982.db2.gz MSSMYAOONJGYML-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040464746 782638220 /nfs/dbraw/zinc/63/82/20/782638220.db2.gz QTOLGMXTCCGGPG-INIZCTEOSA-N 2 2 288.395 1.453 20 30 CDEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040464746 782638250 /nfs/dbraw/zinc/63/82/50/782638250.db2.gz QTOLGMXTCCGGPG-INIZCTEOSA-N 2 2 288.395 1.453 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994298774 782871168 /nfs/dbraw/zinc/87/11/68/782871168.db2.gz QBPZOXYVOABAGH-KGLIPLIRSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994298774 782871171 /nfs/dbraw/zinc/87/11/71/782871171.db2.gz QBPZOXYVOABAGH-KGLIPLIRSA-N 2 2 290.411 1.806 20 30 CDEDLP C=CC[NH2+]C1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001026598448 780805430 /nfs/dbraw/zinc/80/54/30/780805430.db2.gz HNLROSFVWRCDLP-UHFFFAOYSA-N 2 2 276.384 1.464 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000832954298 781081583 /nfs/dbraw/zinc/08/15/83/781081583.db2.gz NFCPLCFHJXWTHW-HOCLYGCPSA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000832954298 781081593 /nfs/dbraw/zinc/08/15/93/781081593.db2.gz NFCPLCFHJXWTHW-HOCLYGCPSA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000832954298 781081601 /nfs/dbraw/zinc/08/16/01/781081601.db2.gz NFCPLCFHJXWTHW-HOCLYGCPSA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000832954298 781081606 /nfs/dbraw/zinc/08/16/06/781081606.db2.gz NFCPLCFHJXWTHW-HOCLYGCPSA-N 2 2 289.423 1.027 20 30 CDEDLP C[C@H]1CCCN(C(=[NH2+])NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000261983805 781171693 /nfs/dbraw/zinc/17/16/93/781171693.db2.gz JGEPWOQQWREWKP-ZDUSSCGKSA-N 2 2 289.427 1.809 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000823187829 781198506 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C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001032489781 781846304 /nfs/dbraw/zinc/84/63/04/781846304.db2.gz YHWNFTHDWOBZFG-GJZGRUSLSA-N 2 2 296.374 1.727 20 30 CDEDLP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001026508315 781882534 /nfs/dbraw/zinc/88/25/34/781882534.db2.gz OPOKPYSAJPYJFQ-NWINJMCUSA-N 2 2 288.395 1.716 20 30 CDEDLP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001026508315 781882540 /nfs/dbraw/zinc/88/25/40/781882540.db2.gz OPOKPYSAJPYJFQ-NWINJMCUSA-N 2 2 288.395 1.716 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001039463711 783319740 /nfs/dbraw/zinc/31/97/40/783319740.db2.gz CZYKZRPNUNKENE-KGLIPLIRSA-N 2 2 288.395 1.512 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001039463711 783319757 /nfs/dbraw/zinc/31/97/57/783319757.db2.gz CZYKZRPNUNKENE-KGLIPLIRSA-N 2 2 288.395 1.512 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033192063 783445374 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CDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992451173 913179617 /nfs/dbraw/zinc/17/96/17/913179617.db2.gz XGDIBMTUFGGVSR-GDBMZVCRSA-N 2 2 288.395 1.560 20 30 CDEDLP C=CCOC(=O)N[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207284611 896793483 /nfs/dbraw/zinc/79/34/83/896793483.db2.gz PYLCRZOXUZAQEP-CQSZACIVSA-N 2 2 297.443 1.951 20 30 CDEDLP C=CCOC(=O)N[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207284611 896793491 /nfs/dbraw/zinc/79/34/91/896793491.db2.gz PYLCRZOXUZAQEP-CQSZACIVSA-N 2 2 297.443 1.951 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001029343296 905431485 /nfs/dbraw/zinc/43/14/85/905431485.db2.gz WUFHUTHVUWQWAY-XHSDSOJGSA-N 2 2 289.423 1.168 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001029343296 905431497 /nfs/dbraw/zinc/43/14/97/905431497.db2.gz WUFHUTHVUWQWAY-XHSDSOJGSA-N 2 2 289.423 1.168 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001029343296 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CDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001182579913 917976800 /nfs/dbraw/zinc/97/68/00/917976800.db2.gz MXDJWNZTPDEZCQ-OAHLLOKOSA-N 2 2 296.374 1.470 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001183764784 918661449 /nfs/dbraw/zinc/66/14/49/918661449.db2.gz IAPOKGNXHIBTRW-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185215593 919482568 /nfs/dbraw/zinc/48/25/68/919482568.db2.gz MCKPMAJUXBVRQQ-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185574856 919662309 /nfs/dbraw/zinc/66/23/09/919662309.db2.gz RXCYENKSAJYWKV-OCCSQVGLSA-N 2 2 290.411 1.521 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369066 920995634 /nfs/dbraw/zinc/99/56/34/920995634.db2.gz OVNZZVJYXPLKQC-CYBMUJFWSA-N 2 2 262.357 1.040 20 30 CDEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)nc2)CC1 ZINC001140544298 936723089 /nfs/dbraw/zinc/72/30/89/936723089.db2.gz IWFMWJUKLGAXDX-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)nc2)CC1 ZINC001140544298 936723090 /nfs/dbraw/zinc/72/30/90/936723090.db2.gz IWFMWJUKLGAXDX-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033588128 922273068 /nfs/dbraw/zinc/27/30/68/922273068.db2.gz KELHEFFBOILXFO-CQSZACIVSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033588128 922273081 /nfs/dbraw/zinc/27/30/81/922273081.db2.gz KELHEFFBOILXFO-CQSZACIVSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001036108571 923101891 /nfs/dbraw/zinc/10/18/91/923101891.db2.gz YZECIEDMUJRQLG-KGLIPLIRSA-N 2 2 298.390 1.961 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001036228378 923123054 /nfs/dbraw/zinc/12/30/54/923123054.db2.gz BXMCAKWFSNODGF-JQWIXIFHSA-N 2 2 296.802 1.531 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001410492521 925824111 /nfs/dbraw/zinc/82/41/11/925824111.db2.gz LZFKMAZMJZQPJJ-LLVKDONJSA-N 2 2 284.791 1.152 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001085674572 926272895 /nfs/dbraw/zinc/27/28/95/926272895.db2.gz YOPZWIZTXSKULB-UONOGXRCSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001085674572 926272904 /nfs/dbraw/zinc/27/29/04/926272904.db2.gz YOPZWIZTXSKULB-UONOGXRCSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085674572 926272908 /nfs/dbraw/zinc/27/29/08/926272908.db2.gz YOPZWIZTXSKULB-UONOGXRCSA-N 2 2 265.401 1.189 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152603694 937376203 /nfs/dbraw/zinc/37/62/03/937376203.db2.gz PPTDYOCJOCWQFL-CYBMUJFWSA-N 2 2 296.802 1.143 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135072066 930034097 /nfs/dbraw/zinc/03/40/97/930034097.db2.gz 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944340312 /nfs/dbraw/zinc/34/03/12/944340312.db2.gz WZIJFMWBLCGKQT-CYBMUJFWSA-N 2 2 276.384 1.417 20 30 CDEDLP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246012598 947890250 /nfs/dbraw/zinc/89/02/50/947890250.db2.gz BJXBSBYPNKQBFU-GJZGRUSLSA-N 2 2 271.449 1.249 20 30 CDEDLP C[C@@H]1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)C[NH2+]1 ZINC001246325134 948107475 /nfs/dbraw/zinc/10/74/75/948107475.db2.gz IAIBFUSAQPTNKP-TZMCWYRMSA-N 2 2 259.353 1.667 20 30 CDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC001256071498 948194044 /nfs/dbraw/zinc/19/40/44/948194044.db2.gz ARNGJGDBVBMNMG-UHFFFAOYSA-N 2 2 256.353 1.670 20 30 CDEDLP C[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001256535686 948339568 /nfs/dbraw/zinc/33/95/68/948339568.db2.gz ADLZOTSQTXXJIM-NXHRZFHOSA-N 2 2 298.434 1.837 20 30 CDEDLP C[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256535686 948339574 /nfs/dbraw/zinc/33/95/74/948339574.db2.gz ADLZOTSQTXXJIM-NXHRZFHOSA-N 2 2 298.434 1.837 20 30 CDEDLP C=C[C@@](C)(O)C[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001252575657 951467556 /nfs/dbraw/zinc/46/75/56/951467556.db2.gz DKLWLLIOICVZPQ-MRXNPFEDSA-N 2 2 275.396 1.825 20 30 CDEDLP C=C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001253598188 951985937 /nfs/dbraw/zinc/98/59/37/951985937.db2.gz PUJMLFLHFXVTSY-KRWDZBQOSA-N 2 2 285.391 1.659 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001367575707 958143160 /nfs/dbraw/zinc/14/31/60/958143160.db2.gz HXIXQLWKDQRINO-NEPJUHHUSA-N 2 2 296.802 1.579 20 30 CDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001368033700 958597597 /nfs/dbraw/zinc/59/75/97/958597597.db2.gz LPUQHROCHJIWNC-UHFFFAOYSA-N 2 2 282.775 1.182 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528744 968616193 /nfs/dbraw/zinc/61/61/93/968616193.db2.gz QDLSZZNMTZIPKW-UHFFFAOYSA-N 2 2 290.411 1.413 20 30 CDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC001393568976 977840884 /nfs/dbraw/zinc/84/08/84/977840884.db2.gz YJYIYHUFTPFWMC-UHFFFAOYSA-N 2 2 296.802 1.344 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132782841 1163477221 /nfs/dbraw/zinc/47/72/21/1163477221.db2.gz TXZHYKTXDJXYJN-KBPBESRZSA-N 2 2 290.411 1.603 20 30 CDEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000591756311 342643809 /nfs/dbraw/zinc/64/38/09/342643809.db2.gz XXWMOJBDEDBMDX-VNQPRFMTSA-N 2 2 290.411 1.397 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000591765858 342645792 /nfs/dbraw/zinc/64/57/92/342645792.db2.gz LYQSWYZPXJTLMV-AWEZNQCLSA-N 2 2 293.798 1.756 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000591765858 342645793 /nfs/dbraw/zinc/64/57/93/342645793.db2.gz LYQSWYZPXJTLMV-AWEZNQCLSA-N 2 2 293.798 1.756 20 30 CDEDLP CC[C@@H](C#N)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000593467318 342803970 /nfs/dbraw/zinc/80/39/70/342803970.db2.gz OGYCLYOZHYONFT-ZDUSSCGKSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000593467318 342803971 /nfs/dbraw/zinc/80/39/71/342803971.db2.gz OGYCLYOZHYONFT-ZDUSSCGKSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000594009339 342862907 /nfs/dbraw/zinc/86/29/07/342862907.db2.gz CULVGEXKRRKFKU-JKSUJKDBSA-N 2 2 275.396 1.761 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000594009339 342862908 /nfs/dbraw/zinc/86/29/08/342862908.db2.gz CULVGEXKRRKFKU-JKSUJKDBSA-N 2 2 275.396 1.761 20 30 CDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cn3)CC2)C1 ZINC000593965459 342858213 /nfs/dbraw/zinc/85/82/13/342858213.db2.gz BJKXQIMFPAKBGA-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cn3)CC2)C1 ZINC000593965459 342858214 /nfs/dbraw/zinc/85/82/14/342858214.db2.gz BJKXQIMFPAKBGA-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc2c(C#N)cnn2c1 ZINC000565950182 365761342 /nfs/dbraw/zinc/76/13/42/365761342.db2.gz AGCJDIGFGXZFRK-UHFFFAOYSA-N 2 2 295.350 1.320 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc2c(C#N)cnn2c1 ZINC000565950182 365761345 /nfs/dbraw/zinc/76/13/45/365761345.db2.gz AGCJDIGFGXZFRK-UHFFFAOYSA-N 2 2 295.350 1.320 20 30 CDEDLP C[C@H](C#N)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601968442 344299462 /nfs/dbraw/zinc/29/94/62/344299462.db2.gz ZQUGLYDAASUXJJ-GDBMZVCRSA-N 2 2 273.380 1.373 20 30 CDEDLP C[C@H](C#N)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601968442 344299463 /nfs/dbraw/zinc/29/94/63/344299463.db2.gz ZQUGLYDAASUXJJ-GDBMZVCRSA-N 2 2 273.380 1.373 20 30 CDEDLP C=C[C@@H](C(=O)OC)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846794 344624606 /nfs/dbraw/zinc/62/46/06/344624606.db2.gz HDNOMJSWRSLLFH-AWEZNQCLSA-N 2 2 275.352 1.321 20 30 CDEDLP C=C[C@@H](C(=O)OC)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846794 344624608 /nfs/dbraw/zinc/62/46/08/344624608.db2.gz HDNOMJSWRSLLFH-AWEZNQCLSA-N 2 2 275.352 1.321 20 30 CDEDLP COC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618571568 345055834 /nfs/dbraw/zinc/05/58/34/345055834.db2.gz JYYSYUAOPCVWFY-ZIAGYGMSSA-N 2 2 265.401 1.769 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1=O ZINC000584771433 346427944 /nfs/dbraw/zinc/42/79/44/346427944.db2.gz IQZBXRBDKNAGMY-KFWWJZLASA-N 2 2 277.412 1.380 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1=O ZINC000584771433 346427945 /nfs/dbraw/zinc/42/79/45/346427945.db2.gz IQZBXRBDKNAGMY-KFWWJZLASA-N 2 2 277.412 1.380 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641784392 365852089 /nfs/dbraw/zinc/85/20/89/365852089.db2.gz CKPLHVBYBUNYQJ-DLBZAZTESA-N 2 2 295.471 1.727 20 30 CDEDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602523665 350119383 /nfs/dbraw/zinc/11/93/83/350119383.db2.gz FBWUGLKDSUWVDS-CYBMUJFWSA-N 2 2 258.369 1.775 20 30 CDEDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602523665 350119387 /nfs/dbraw/zinc/11/93/87/350119387.db2.gz FBWUGLKDSUWVDS-CYBMUJFWSA-N 2 2 258.369 1.775 20 30 CDEDLP N#Cc1cnn2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc12 ZINC000603894040 350326804 /nfs/dbraw/zinc/32/68/04/350326804.db2.gz GHDBVBNGKKOUAY-LSDHHAIUSA-N 2 2 296.378 1.317 20 30 CDEDLP N#Cc1cnn2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cnc12 ZINC000603894040 350326808 /nfs/dbraw/zinc/32/68/08/350326808.db2.gz GHDBVBNGKKOUAY-LSDHHAIUSA-N 2 2 296.378 1.317 20 30 CDEDLP Cc1ccnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364642643 363079919 /nfs/dbraw/zinc/07/99/19/363079919.db2.gz FEELBAKOFQECDX-AWEZNQCLSA-N 2 2 299.422 1.842 20 30 CDEDLP Cc1ccnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364642643 363079924 /nfs/dbraw/zinc/07/99/24/363079924.db2.gz FEELBAKOFQECDX-AWEZNQCLSA-N 2 2 299.422 1.842 20 30 CDEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C#N)cn2)CC1 ZINC000267163376 358975581 /nfs/dbraw/zinc/97/55/81/358975581.db2.gz GLWSNEFIEWGUHD-UHFFFAOYSA-N 2 2 273.384 1.391 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H](C[N@@H+](C)CC)C2)C1=O ZINC000337187053 360029940 /nfs/dbraw/zinc/02/99/40/360029940.db2.gz PHRLECFPXUCGNB-UONOGXRCSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H](C[N@H+](C)CC)C2)C1=O ZINC000337187053 360029946 /nfs/dbraw/zinc/02/99/46/360029946.db2.gz PHRLECFPXUCGNB-UONOGXRCSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)CC)C2)C1=O ZINC000337187053 360029949 /nfs/dbraw/zinc/02/99/49/360029949.db2.gz PHRLECFPXUCGNB-UONOGXRCSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)CC)C2)C1=O ZINC000337187053 360029953 /nfs/dbraw/zinc/02/99/53/360029953.db2.gz PHRLECFPXUCGNB-UONOGXRCSA-N 2 2 265.401 1.047 20 30 CDEDLP Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000329322055 361478322 /nfs/dbraw/zinc/47/83/22/361478322.db2.gz FKNDYMPNGGYFCB-UHFFFAOYSA-N 2 2 277.372 1.004 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134885931 375663565 /nfs/dbraw/zinc/66/35/65/375663565.db2.gz AWRUEGOEWICOQO-HIFRSBDPSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134885931 375663575 /nfs/dbraw/zinc/66/35/75/375663575.db2.gz AWRUEGOEWICOQO-HIFRSBDPSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134885931 375663585 /nfs/dbraw/zinc/66/35/85/375663585.db2.gz AWRUEGOEWICOQO-HIFRSBDPSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134885931 375663589 /nfs/dbraw/zinc/66/35/89/375663589.db2.gz AWRUEGOEWICOQO-HIFRSBDPSA-N 2 2 277.412 1.237 20 30 CDEDLP CC(C)CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000104153765 390485084 /nfs/dbraw/zinc/48/50/84/390485084.db2.gz ILZMLNPOWBVOCR-AWEZNQCLSA-N 2 2 262.401 1.850 20 30 CDEDLP C#CCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000270946304 391284083 /nfs/dbraw/zinc/28/40/83/391284083.db2.gz UJNUSYBQZKABSL-UHFFFAOYSA-N 2 2 259.353 1.799 20 30 CDEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N(C)C ZINC000262536576 391793669 /nfs/dbraw/zinc/79/36/69/391793669.db2.gz JZYSFVKNJVUGTD-CYBMUJFWSA-N 2 2 278.400 1.944 20 30 CDEDLP C#CCNC(NC[C@@H](c1ccsc1)[NH+](C)C)=[NH+]C ZINC000262604462 391799303 /nfs/dbraw/zinc/79/93/03/391799303.db2.gz FOFRNMHGDKZBQR-LBPRGKRZSA-N 2 2 264.398 1.149 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246330779 131093038 /nfs/dbraw/zinc/09/30/38/131093038.db2.gz GSWHVENAVCVYRH-GJZGRUSLSA-N 2 2 279.428 1.459 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246330779 131093039 /nfs/dbraw/zinc/09/30/39/131093039.db2.gz GSWHVENAVCVYRH-GJZGRUSLSA-N 2 2 279.428 1.459 20 30 CDEDLP CC[NH+]1CCC([N@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000361501304 392760483 /nfs/dbraw/zinc/76/04/83/392760483.db2.gz OZGQIJBXPZGJCF-UHFFFAOYSA-N 2 2 260.385 1.813 20 30 CDEDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000361501304 392760492 /nfs/dbraw/zinc/76/04/92/392760492.db2.gz OZGQIJBXPZGJCF-UHFFFAOYSA-N 2 2 260.385 1.813 20 30 CDEDLP Cc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)c(C#N)c[nH+]1 ZINC000425274487 393013648 /nfs/dbraw/zinc/01/36/48/393013648.db2.gz ZXRIUASBSVQZHO-ZDUSSCGKSA-N 2 2 258.369 1.827 20 30 CDEDLP Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)c(C#N)c[nH+]1 ZINC000425274487 393013651 /nfs/dbraw/zinc/01/36/51/393013651.db2.gz ZXRIUASBSVQZHO-ZDUSSCGKSA-N 2 2 258.369 1.827 20 30 CDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000361941228 159022144 /nfs/dbraw/zinc/02/21/44/159022144.db2.gz DIEDEKNCXLPSCC-GOSISDBHSA-N 2 2 298.434 1.770 20 30 CDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000361941228 159022145 /nfs/dbraw/zinc/02/21/45/159022145.db2.gz DIEDEKNCXLPSCC-GOSISDBHSA-N 2 2 298.434 1.770 20 30 CDEDLP CC(C)OCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000272889158 263009447 /nfs/dbraw/zinc/00/94/47/263009447.db2.gz JFMSNAIOYOHUMR-UHFFFAOYSA-N 2 2 279.384 1.810 20 30 CDEDLP CN(C(=[NH2+])NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000273370401 263016349 /nfs/dbraw/zinc/01/63/49/263016349.db2.gz VMLXUPKQGVDEPC-UHFFFAOYSA-N 2 2 269.352 1.781 20 30 CDEDLP C=CC[C@@H](CO)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000341878878 263362630 /nfs/dbraw/zinc/36/26/30/263362630.db2.gz NPDZBELXBIBFJF-CQSZACIVSA-N 2 2 275.396 1.825 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379271 782042554 /nfs/dbraw/zinc/04/25/54/782042554.db2.gz KVVJXIKXYJNJHS-STQMWFEESA-N 2 2 274.368 1.204 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379271 782042570 /nfs/dbraw/zinc/04/25/70/782042570.db2.gz KVVJXIKXYJNJHS-STQMWFEESA-N 2 2 274.368 1.204 20 30 CDEDLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423521562 277116700 /nfs/dbraw/zinc/11/67/00/277116700.db2.gz QXOVUGCXFUWFOS-GOEBONIOSA-N 2 2 270.380 1.039 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000989258834 782076872 /nfs/dbraw/zinc/07/68/72/782076872.db2.gz KGHGLOWDJOMTHD-STQMWFEESA-N 2 2 296.802 1.605 20 30 CDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547334 782089051 /nfs/dbraw/zinc/08/90/51/782089051.db2.gz PJBWCMZGBVMKNR-CYBMUJFWSA-N 2 2 262.357 1.040 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007799711 782093863 /nfs/dbraw/zinc/09/38/63/782093863.db2.gz KPHKHMMILUXXGC-OAHLLOKOSA-N 2 2 296.374 1.552 20 30 CDEDLP N#Cc1cccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000578878436 324046049 /nfs/dbraw/zinc/04/60/49/324046049.db2.gz VKYSWNOPISPUMM-SJORKVTESA-N 2 2 285.391 1.457 20 30 CDEDLP COc1cccc([C@@H](CNC2=[NH+]CCN2C)[NH+](C)C)c1 ZINC000261728129 327069678 /nfs/dbraw/zinc/06/96/78/327069678.db2.gz KWSHWZUGPARUSG-CQSZACIVSA-N 2 2 276.384 1.189 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000584234975 327072341 /nfs/dbraw/zinc/07/23/41/327072341.db2.gz CNNUMZLBQIQQIC-UHFFFAOYSA-N 2 2 299.418 1.885 20 30 CDEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC1 ZINC000263240478 330050348 /nfs/dbraw/zinc/05/03/48/330050348.db2.gz 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ZINC001016114232 935602114 /nfs/dbraw/zinc/60/21/14/935602114.db2.gz PIPVVAIJLHIOLD-GFCCVEGCSA-N 2 2 262.357 1.027 20 30 CDEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418429 935743147 /nfs/dbraw/zinc/74/31/47/935743147.db2.gz WKNVKNBSHRPRQS-ZDUSSCGKSA-N 2 2 282.347 1.390 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418429 935743149 /nfs/dbraw/zinc/74/31/49/935743149.db2.gz WKNVKNBSHRPRQS-ZDUSSCGKSA-N 2 2 282.347 1.390 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001043464052 935838933 /nfs/dbraw/zinc/83/89/33/935838933.db2.gz MOXAZWVIQHAJSC-MRXNPFEDSA-N 2 2 289.423 1.027 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC001044836986 935871356 /nfs/dbraw/zinc/87/13/56/935871356.db2.gz NKLZFTPRNZLUEW-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046422898 935950617 /nfs/dbraw/zinc/95/06/17/935950617.db2.gz GUIRZCCDSJFXNF-CZUORRHYSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046598245 935961832 /nfs/dbraw/zinc/96/18/32/935961832.db2.gz NBIKRTMHTPODEX-HNNXBMFYSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046598245 935961833 /nfs/dbraw/zinc/96/18/33/935961833.db2.gz NBIKRTMHTPODEX-HNNXBMFYSA-N 2 2 299.846 1.661 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097336710 936292827 /nfs/dbraw/zinc/29/28/27/936292827.db2.gz NPAOORCQRUEWBN-XPKDYRNWSA-N 2 2 294.358 1.531 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097336710 936292832 /nfs/dbraw/zinc/29/28/32/936292832.db2.gz NPAOORCQRUEWBN-XPKDYRNWSA-N 2 2 294.358 1.531 20 30 CDEDLP N#CCc1ccc[nH+]c1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163271970 939237489 /nfs/dbraw/zinc/23/74/89/939237489.db2.gz UHQGWCJYBOTZLA-CZUORRHYSA-N 2 2 286.379 1.718 20 30 CDEDLP N#CCc1ccc[nH+]c1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163306024 939242959 /nfs/dbraw/zinc/24/29/59/939242959.db2.gz PIQSUFWMIRRMMU-UKRRQHHQSA-N 2 2 272.352 1.471 20 30 CDEDLP Cc1[nH+]c2c(n1-c1nc(C)ccc1C#N)CC[NH2+]CC2 ZINC001165351804 939550044 /nfs/dbraw/zinc/55/00/44/939550044.db2.gz KKSRWOUNKWODDS-UHFFFAOYSA-N 2 2 267.336 1.444 20 30 CDEDLP Cc1[nH+]c2c(n1-c1nc3c(cc1C#N)CCC3)CC[NH2+]CC2 ZINC001165355363 939551457 /nfs/dbraw/zinc/55/14/57/939551457.db2.gz WHKAIJGENVFFAX-UHFFFAOYSA-N 2 2 293.374 1.624 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165589068 939570976 /nfs/dbraw/zinc/57/09/76/939570976.db2.gz KNJXAMJVRGUZOR-CHWSQXEVSA-N 2 2 288.395 1.575 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165589068 939570977 /nfs/dbraw/zinc/57/09/77/939570977.db2.gz KNJXAMJVRGUZOR-CHWSQXEVSA-N 2 2 288.395 1.575 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166401968 939607689 /nfs/dbraw/zinc/60/76/89/939607689.db2.gz KHVVJBSPHPBTCB-LLVKDONJSA-N 2 2 262.357 1.112 20 30 CDEDLP C#CCC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474903 939609607 /nfs/dbraw/zinc/60/96/07/939609607.db2.gz ZPCNWBRCZMPRSL-UHFFFAOYSA-N 2 2 288.395 1.173 20 30 CDEDLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C#N)n(C)c3)C[C@@H]2C1 ZINC001207107826 940150660 /nfs/dbraw/zinc/15/06/60/940150660.db2.gz CHTZUCCAEZMAAA-KBPBESRZSA-N 2 2 258.369 1.280 20 30 CDEDLP C#CCN1CC[NH+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208186219 940304869 /nfs/dbraw/zinc/30/48/69/940304869.db2.gz PDVUZDKCIBDHKV-UHFFFAOYSA-N 2 2 263.429 1.359 20 30 CDEDLP C#CC[NH+]1CCN(CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208186219 940304870 /nfs/dbraw/zinc/30/48/70/940304870.db2.gz PDVUZDKCIBDHKV-UHFFFAOYSA-N 2 2 263.429 1.359 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214530626 940827257 /nfs/dbraw/zinc/82/72/57/940827257.db2.gz BFBPUCXOOHCURV-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP N#Cc1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)c2cccnc12 ZINC001219467490 941348376 /nfs/dbraw/zinc/34/83/76/941348376.db2.gz KBGYUJWQYHDIDS-UHFFFAOYSA-N 2 2 295.346 1.126 20 30 CDEDLP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220663473 941462396 /nfs/dbraw/zinc/46/23/96/941462396.db2.gz FYGRZTASBWZSRV-BZPMIXESSA-N 2 2 289.379 1.118 20 30 CDEDLP C=CCCC[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227715158 942210855 /nfs/dbraw/zinc/21/08/55/942210855.db2.gz PSNSEZLNRWVLNR-UHFFFAOYSA-N 2 2 290.411 1.889 20 30 CDEDLP C=CCCC[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227715158 942210860 /nfs/dbraw/zinc/21/08/60/942210860.db2.gz PSNSEZLNRWVLNR-UHFFFAOYSA-N 2 2 290.411 1.889 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001263096261 943742926 /nfs/dbraw/zinc/74/29/26/943742926.db2.gz MCZQKVWCBXRELA-CHWSQXEVSA-N 2 2 276.384 1.799 20 30 CDEDLP C=CCOc1ccccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995342 944363866 /nfs/dbraw/zinc/36/38/66/944363866.db2.gz RNPDQDQSNMUUBG-FKEKPDDDSA-N 2 2 288.391 1.657 20 30 CDEDLP C=CCOc1ccccc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995342 944363873 /nfs/dbraw/zinc/36/38/73/944363873.db2.gz RNPDQDQSNMUUBG-FKEKPDDDSA-N 2 2 288.391 1.657 20 30 CDEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]([NH3+])C3(COC3)C2)CC1 ZINC001237175295 944675608 /nfs/dbraw/zinc/67/56/08/944675608.db2.gz HYERDZJKGNGTFU-CABCVRRESA-N 2 2 262.397 1.949 20 30 CDEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]([NH3+])C3(COC3)C2)CC1 ZINC001237175295 944675615 /nfs/dbraw/zinc/67/56/15/944675615.db2.gz HYERDZJKGNGTFU-CABCVRRESA-N 2 2 262.397 1.949 20 30 CDEDLP C=CCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246017208 947893668 /nfs/dbraw/zinc/89/36/68/947893668.db2.gz XJKPIFRFCYXVNS-HUUCEWRRSA-N 2 2 269.433 1.025 20 30 CDEDLP C#CCCN1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1=O ZINC001256071381 948194367 /nfs/dbraw/zinc/19/43/67/948194367.db2.gz URFRAZIONZPMSQ-INIZCTEOSA-N 2 2 289.423 1.217 20 30 CDEDLP C=C1C[C@@H]2CC(NC(=[NH2+])N3CC[NH+](C)CC3)C[C@H](C1)C2 ZINC001257888412 948656407 /nfs/dbraw/zinc/65/64/07/948656407.db2.gz LXLOKDAFRNSDDD-YIONKMFJSA-N 2 2 276.428 1.893 20 30 CDEDLP C#Cc1cc(NC2=CC[C@H]([NH+]3CCOCC3)CC2)cc[nH+]1 ZINC001249551771 949666145 /nfs/dbraw/zinc/66/61/45/949666145.db2.gz AZOVSNBGKOFEGS-KRWDZBQOSA-N 2 2 283.375 1.665 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001252552872 951440765 /nfs/dbraw/zinc/44/07/65/951440765.db2.gz NGXKIPBTKVKGMD-AWEZNQCLSA-N 2 2 250.386 1.341 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001252552872 951440770 /nfs/dbraw/zinc/44/07/70/951440770.db2.gz NGXKIPBTKVKGMD-AWEZNQCLSA-N 2 2 250.386 1.341 20 30 CDEDLP C=CCCCCCC[C@@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001253250457 951826313 /nfs/dbraw/zinc/82/63/13/951826313.db2.gz ZROGPOTWUUSEBJ-OAHLLOKOSA-N 2 2 296.459 1.646 20 30 CDEDLP C=C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001253597300 951985799 /nfs/dbraw/zinc/98/57/99/951985799.db2.gz DBLBYZGIMBZHCU-MRXNPFEDSA-N 2 2 290.407 1.796 20 30 CDEDLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001366340117 956755465 /nfs/dbraw/zinc/75/54/65/956755465.db2.gz JJYKASBNSADDAT-LBPRGKRZSA-N 2 2 297.362 1.118 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001421113553 963459623 /nfs/dbraw/zinc/45/96/23/963459623.db2.gz FAWREOXWQPOFCD-NSHDSACASA-N 2 2 282.775 1.285 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000848910154 969347567 /nfs/dbraw/zinc/34/75/67/969347567.db2.gz HKYZLOBRDBAVCB-CABCVRRESA-N 2 2 250.386 1.487 20 30 CDEDLP C#C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000848913022 969351353 /nfs/dbraw/zinc/35/13/53/969351353.db2.gz ZOYXMUDAYWJRKN-HUUCEWRRSA-N 2 2 264.413 1.877 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000848983879 969378757 /nfs/dbraw/zinc/37/87/57/969378757.db2.gz NXRXQSJLFCUZQW-CQSZACIVSA-N 2 2 282.432 1.423 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001417797324 973390925 /nfs/dbraw/zinc/39/09/25/973390925.db2.gz NHRWXGTUPMQESK-JOCQHMNTSA-N 2 2 296.802 1.510 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001388689615 975556417 /nfs/dbraw/zinc/55/64/17/975556417.db2.gz NHRWXGTUPMQESK-BETUJISGSA-N 2 2 296.802 1.510 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001391169705 976740663 /nfs/dbraw/zinc/74/06/63/976740663.db2.gz QUQHKVRQEIQMPI-UHFFFAOYSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001391169705 976740670 /nfs/dbraw/zinc/74/06/70/976740670.db2.gz QUQHKVRQEIQMPI-UHFFFAOYSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001391169705 976740673 /nfs/dbraw/zinc/74/06/73/976740673.db2.gz QUQHKVRQEIQMPI-UHFFFAOYSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001391169705 976740677 /nfs/dbraw/zinc/74/06/77/976740677.db2.gz QUQHKVRQEIQMPI-UHFFFAOYSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001574852619 1171028333 /nfs/dbraw/zinc/02/83/33/1171028333.db2.gz WNOJOOQDCBLSLK-NSHDSACASA-N 2 2 280.759 1.018 20 30 CDEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CCC[NH3+])CC2)c1 ZINC000593317027 342787939 /nfs/dbraw/zinc/78/79/39/342787939.db2.gz DXEAMJZWBRKHDG-UHFFFAOYSA-N 3 2 272.396 1.461 20 30 CDEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1C[NH2+]C1 ZINC000593323642 342788472 /nfs/dbraw/zinc/78/84/72/342788472.db2.gz RZYYQLXWNWCJHX-AWEZNQCLSA-N 3 2 298.434 1.720 20 30 CDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594494628 342913824 /nfs/dbraw/zinc/91/38/24/342913824.db2.gz ODMRXGDWQGAPKJ-KRWDZBQOSA-N 2 2 285.391 1.901 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000595471668 343072862 /nfs/dbraw/zinc/07/28/62/343072862.db2.gz CNKJYHZNMYUUOE-OWCLPIDISA-N 2 2 277.412 1.865 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000595471668 343072864 /nfs/dbraw/zinc/07/28/64/343072864.db2.gz CNKJYHZNMYUUOE-OWCLPIDISA-N 2 2 277.412 1.865 20 30 CDEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000602485268 344449231 /nfs/dbraw/zinc/44/92/31/344449231.db2.gz WZQNLSLFCDBESX-IXDOHACOSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@H](CCC#N)C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000602485268 344449233 /nfs/dbraw/zinc/44/92/33/344449233.db2.gz WZQNLSLFCDBESX-IXDOHACOSA-N 2 2 292.471 1.884 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000602623821 344500877 /nfs/dbraw/zinc/50/08/77/344500877.db2.gz REIFYRHVAPHZGQ-KGLIPLIRSA-N 2 2 288.395 1.886 20 30 CDEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449393164 362687836 /nfs/dbraw/zinc/68/78/36/362687836.db2.gz BHNPLDJGOWAZKM-CQSZACIVSA-N 2 2 267.417 1.753 20 30 CDEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449393164 362687839 /nfs/dbraw/zinc/68/78/39/362687839.db2.gz BHNPLDJGOWAZKM-CQSZACIVSA-N 2 2 267.417 1.753 20 30 CDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449522924 362743534 /nfs/dbraw/zinc/74/35/34/362743534.db2.gz WCNIFULUQUFFKD-CABCVRRESA-N 2 2 273.380 1.984 20 30 CDEDLP CCCNC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264068707 362956785 /nfs/dbraw/zinc/95/67/85/362956785.db2.gz CIPQUUNWNPHIKO-ZDUSSCGKSA-N 2 2 266.364 1.743 20 30 CDEDLP CSc1ccc(C[NH2+][C@H](C)[C@@H]2C[NH2+]CCO2)cc1C#N ZINC001579387855 1172164973 /nfs/dbraw/zinc/16/49/73/1172164973.db2.gz HGXYNMJOKKQNBY-RISCZKNCSA-N 2 2 291.420 1.747 20 30 CDEDLP C=CCS(=O)(=O)CC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000272887683 359470924 /nfs/dbraw/zinc/47/09/24/359470924.db2.gz XGRUIBFYWMXCCX-UHFFFAOYSA-N 2 2 293.392 1.333 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277318891 359561513 /nfs/dbraw/zinc/56/15/13/359561513.db2.gz VAIPXUPJZXOCMI-HNNXBMFYSA-N 2 2 279.428 1.603 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277318891 359561517 /nfs/dbraw/zinc/56/15/17/359561517.db2.gz VAIPXUPJZXOCMI-HNNXBMFYSA-N 2 2 279.428 1.603 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271913870 367034643 /nfs/dbraw/zinc/03/46/43/367034643.db2.gz FTLMLUNNOWQHIG-IUODEOHRSA-N 2 2 291.370 1.805 20 30 CDEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000330884039 203351913 /nfs/dbraw/zinc/35/19/13/203351913.db2.gz PJJNONGDTKNALN-NHYWBVRUSA-N 2 2 277.343 1.415 20 30 CDEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000330884039 203351918 /nfs/dbraw/zinc/35/19/18/203351918.db2.gz PJJNONGDTKNALN-NHYWBVRUSA-N 2 2 277.343 1.415 20 30 CDEDLP C[C@@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+]1CCCC[C@H]1C ZINC000565703925 370511491 /nfs/dbraw/zinc/51/14/91/370511491.db2.gz GDRLVAWWKWOZRW-PMPSAXMXSA-N 2 2 296.459 1.045 20 30 CDEDLP C[C@@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+]1CCCC[C@H]1C ZINC000565703925 370511497 /nfs/dbraw/zinc/51/14/97/370511497.db2.gz GDRLVAWWKWOZRW-PMPSAXMXSA-N 2 2 296.459 1.045 20 30 CDEDLP C[C@@H](CNC[C@H](O)C[NH+](C)CCC#N)[N@@H+]1CCCC[C@H]1C ZINC000565703925 370511505 /nfs/dbraw/zinc/51/15/05/370511505.db2.gz GDRLVAWWKWOZRW-PMPSAXMXSA-N 2 2 296.459 1.045 20 30 CDEDLP C[C@@H](CNC[C@H](O)C[NH+](C)CCC#N)[N@H+]1CCCC[C@H]1C ZINC000565703925 370511516 /nfs/dbraw/zinc/51/15/16/370511516.db2.gz GDRLVAWWKWOZRW-PMPSAXMXSA-N 2 2 296.459 1.045 20 30 CDEDLP C=CCCCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000193306775 373680534 /nfs/dbraw/zinc/68/05/34/373680534.db2.gz HDZNHWRWJNCAHK-UHFFFAOYSA-N 2 2 267.417 1.439 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000328878289 375997709 /nfs/dbraw/zinc/99/77/09/375997709.db2.gz UNULEIQTWPJDGK-QWHCGFSZSA-N 2 2 291.399 1.218 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000328878289 375997717 /nfs/dbraw/zinc/99/77/17/375997717.db2.gz UNULEIQTWPJDGK-QWHCGFSZSA-N 2 2 291.399 1.218 20 30 CDEDLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328941079 376015311 /nfs/dbraw/zinc/01/53/11/376015311.db2.gz HVTJXAORSIUYFN-NWDGAFQWSA-N 2 2 262.357 1.496 20 30 CDEDLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328941079 376015316 /nfs/dbraw/zinc/01/53/16/376015316.db2.gz HVTJXAORSIUYFN-NWDGAFQWSA-N 2 2 262.357 1.496 20 30 CDEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000075582782 377829575 /nfs/dbraw/zinc/82/95/75/377829575.db2.gz LNTHFZBRTYACJM-NSHDSACASA-N 2 2 292.452 1.822 20 30 CDEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000075582782 377829589 /nfs/dbraw/zinc/82/95/89/377829589.db2.gz LNTHFZBRTYACJM-NSHDSACASA-N 2 2 292.452 1.822 20 30 CDEDLP CNC(NCc1ccc(-n2cc[nH+]c2)c(F)c1)=[NH+]C ZINC000303252840 391102008 /nfs/dbraw/zinc/10/20/08/391102008.db2.gz CBMLFPFJPXHFCG-UHFFFAOYSA-N 2 2 261.304 1.306 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331934156 391267703 /nfs/dbraw/zinc/26/77/03/391267703.db2.gz HTTMZKILBFSION-HUUCEWRRSA-N 2 2 294.443 1.411 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331934156 391267709 /nfs/dbraw/zinc/26/77/09/391267709.db2.gz HTTMZKILBFSION-HUUCEWRRSA-N 2 2 294.443 1.411 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328963584 391398953 /nfs/dbraw/zinc/39/89/53/391398953.db2.gz RHNMFCFAGMEBHW-XUJVJEKNSA-N 2 2 288.395 1.885 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328963584 391398958 /nfs/dbraw/zinc/39/89/58/391398958.db2.gz RHNMFCFAGMEBHW-XUJVJEKNSA-N 2 2 288.395 1.885 20 30 CDEDLP C[C@H]1C[NH+](CCOC2CC[NH+](CCC#N)CC2)C[C@H](C)O1 ZINC000358877254 391566311 /nfs/dbraw/zinc/56/63/11/391566311.db2.gz VVOWFCXRCJFBCD-GJZGRUSLSA-N 2 2 295.427 1.490 20 30 CDEDLP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC1CC1 ZINC000261872610 391719596 /nfs/dbraw/zinc/71/95/96/391719596.db2.gz PDKOJINYIPNLPR-CYBMUJFWSA-N 2 2 276.384 1.873 20 30 CDEDLP CC(C)[NH2+]C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191301357 130218858 /nfs/dbraw/zinc/21/88/58/130218858.db2.gz INFLEXGZQJPWEN-UHFFFAOYSA-N 2 2 260.385 1.859 20 30 CDEDLP C[C@H]1C[NH+]=C(NC[C@@H](c2cccs2)[NH+](C)C)N1 ZINC000262420259 391783029 /nfs/dbraw/zinc/78/30/29/391783029.db2.gz BCNMXTQLSXKDLQ-UWVGGRQHSA-N 2 2 252.387 1.288 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000192013259 130350213 /nfs/dbraw/zinc/35/02/13/130350213.db2.gz DURIYWJLJLYIOO-IBGZPJMESA-N 2 2 297.446 1.750 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000192013259 130350214 /nfs/dbraw/zinc/35/02/14/130350214.db2.gz DURIYWJLJLYIOO-IBGZPJMESA-N 2 2 297.446 1.750 20 30 CDEDLP Cc1ccc([C@@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)cc1 ZINC000262686823 391812522 /nfs/dbraw/zinc/81/25/22/391812522.db2.gz YQOAZQRFGZLGDU-GXTWGEPZSA-N 2 2 260.385 1.535 20 30 CDEDLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000459543895 392463002 /nfs/dbraw/zinc/46/30/02/392463002.db2.gz CLQZDIUJKNQEKP-UHFFFAOYSA-N 2 2 288.395 1.817 20 30 CDEDLP COc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)ccc1C#N ZINC000415037320 392849476 /nfs/dbraw/zinc/84/94/76/392849476.db2.gz KXHMDHJZBLPXLK-AWEZNQCLSA-N 2 2 259.353 1.797 20 30 CDEDLP CC#CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285636753 196350738 /nfs/dbraw/zinc/35/07/38/196350738.db2.gz DBFRKDIULKXKIJ-IBGZPJMESA-N 2 2 297.446 1.902 20 30 CDEDLP CC#CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285636753 196350740 /nfs/dbraw/zinc/35/07/40/196350740.db2.gz DBFRKDIULKXKIJ-IBGZPJMESA-N 2 2 297.446 1.902 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)nn1 ZINC000657309145 414149507 /nfs/dbraw/zinc/14/95/07/414149507.db2.gz JWGRYNXJYIMEKC-LBPRGKRZSA-N 2 2 260.345 1.229 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000657375215 414240894 /nfs/dbraw/zinc/24/08/94/414240894.db2.gz FLLGMYZDHSGKQK-CHWSQXEVSA-N 2 2 263.389 1.427 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nn1 ZINC000657375215 414240904 /nfs/dbraw/zinc/24/09/04/414240904.db2.gz FLLGMYZDHSGKQK-CHWSQXEVSA-N 2 2 263.389 1.427 20 30 CDEDLP COc1ccc(C(N)=[NH+]OCC[NH+]2CCCCC2)cc1 ZINC000190090577 262178939 /nfs/dbraw/zinc/17/89/39/262178939.db2.gz VQHOFFCXWPNLQZ-UHFFFAOYSA-N 2 2 277.368 1.818 20 30 CDEDLP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341869749 263360569 /nfs/dbraw/zinc/36/05/69/263360569.db2.gz BMQPFJYQZAOEGS-OAHLLOKOSA-N 2 2 289.423 1.820 20 30 CDEDLP C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)C(C)(C)C[NH+](C)C ZINC000330707860 264020296 /nfs/dbraw/zinc/02/02/96/264020296.db2.gz QFAADFZTMAURQE-LBPRGKRZSA-N 2 2 295.431 1.742 20 30 CDEDLP CCCNC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264148306 328157895 /nfs/dbraw/zinc/15/78/95/328157895.db2.gz YMAHFSKJMCOYRE-ZDUSSCGKSA-N 2 2 266.364 1.743 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000264149445 328157916 /nfs/dbraw/zinc/15/79/16/328157916.db2.gz YTEVAYYEUZVSSX-HNNXBMFYSA-N 2 2 290.411 1.778 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000491040507 332141789 /nfs/dbraw/zinc/14/17/89/332141789.db2.gz UJEWTEJESSSWBX-BZUAXINKSA-N 2 2 291.439 1.178 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000491708974 332301075 /nfs/dbraw/zinc/30/10/75/332301075.db2.gz OCRCQGUWEYKOBV-ZDUSSCGKSA-N 2 2 260.385 1.435 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000491708974 332301076 /nfs/dbraw/zinc/30/10/76/332301076.db2.gz OCRCQGUWEYKOBV-ZDUSSCGKSA-N 2 2 260.385 1.435 20 30 CDEDLP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCOCC2)cc1C#N ZINC000725064918 1159316208 /nfs/dbraw/zinc/31/62/08/1159316208.db2.gz VQRDTSXGUWXENP-UHFFFAOYSA-N 2 2 273.380 1.806 20 30 CDEDLP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCOCC2)cc1C#N ZINC000725064918 1159316215 /nfs/dbraw/zinc/31/62/15/1159316215.db2.gz VQRDTSXGUWXENP-UHFFFAOYSA-N 2 2 273.380 1.806 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCn1cc[nH+]c1C ZINC000741709551 576568686 /nfs/dbraw/zinc/56/86/86/576568686.db2.gz VQKCALSZAAMWLD-HNNXBMFYSA-N 2 2 288.395 1.186 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCn1cc[nH+]c1C ZINC000741709551 576568689 /nfs/dbraw/zinc/56/86/89/576568689.db2.gz VQKCALSZAAMWLD-HNNXBMFYSA-N 2 2 288.395 1.186 20 30 CDEDLP CN1CCc2cc(C=[NH+]NC3=[NH+][C@@H]4CCCC[C@H]4N3)ccc21 ZINC000753930051 576866683 /nfs/dbraw/zinc/86/66/83/576866683.db2.gz TYTYSPSTVOXXBA-HUUCEWRRSA-N 2 2 297.406 1.873 20 30 CDEDLP C[C@@H]1CC(=[NH+]n2cc(Br)cn2)CC[N@H+]1C ZINC000752746685 577122992 /nfs/dbraw/zinc/12/29/92/577122992.db2.gz SWWJBHHXXQHDEP-MRVPVSSYSA-N 2 2 271.162 1.964 20 30 CDEDLP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948885970 613007332 /nfs/dbraw/zinc/00/73/32/613007332.db2.gz GEHXTFXITJVNCS-CQSZACIVSA-N 2 2 288.395 1.288 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948885970 613007333 /nfs/dbraw/zinc/00/73/33/613007333.db2.gz GEHXTFXITJVNCS-CQSZACIVSA-N 2 2 288.395 1.288 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000949043439 613009550 /nfs/dbraw/zinc/00/95/50/613009550.db2.gz TZDMRVACWKRYPS-INIZCTEOSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000949043439 613009551 /nfs/dbraw/zinc/00/95/51/613009551.db2.gz TZDMRVACWKRYPS-INIZCTEOSA-N 2 2 291.439 1.274 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000950491059 613316596 /nfs/dbraw/zinc/31/65/96/613316596.db2.gz IEXFYHHIYUXFKX-CQSZACIVSA-N 2 2 265.401 1.191 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000950491059 613316599 /nfs/dbraw/zinc/31/65/99/613316599.db2.gz IEXFYHHIYUXFKX-CQSZACIVSA-N 2 2 265.401 1.191 20 30 CDEDLP CC#CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981743252 613547280 /nfs/dbraw/zinc/54/72/80/613547280.db2.gz TVRXLKXSFCHBOG-UHFFFAOYSA-N 2 2 291.439 1.418 20 30 CDEDLP CC#CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981743252 613547282 /nfs/dbraw/zinc/54/72/82/613547282.db2.gz TVRXLKXSFCHBOG-UHFFFAOYSA-N 2 2 291.439 1.418 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450741 613554049 /nfs/dbraw/zinc/55/40/49/613554049.db2.gz GDULUTYQPVVBON-AWEZNQCLSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450741 613554051 /nfs/dbraw/zinc/55/40/51/613554051.db2.gz GDULUTYQPVVBON-AWEZNQCLSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730144 613610765 /nfs/dbraw/zinc/61/07/65/613610765.db2.gz RTUZYEUHECCLHN-GFCCVEGCSA-N 2 2 276.384 1.406 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730144 613610766 /nfs/dbraw/zinc/61/07/66/613610766.db2.gz RTUZYEUHECCLHN-GFCCVEGCSA-N 2 2 276.384 1.406 20 30 CDEDLP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981457979 613871715 /nfs/dbraw/zinc/87/17/15/613871715.db2.gz SJSNXUSYFIHNCH-QWHCGFSZSA-N 2 2 276.384 1.166 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656010 1162995005 /nfs/dbraw/zinc/99/50/05/1162995005.db2.gz HLKGZSNLAHABNY-UHFFFAOYSA-N 2 2 264.373 1.025 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000989043555 1160660950 /nfs/dbraw/zinc/66/09/50/1160660950.db2.gz SDWFMAPGHYRQKH-YPMHNXCESA-N 2 2 282.347 1.389 20 30 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C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000852748098 789520173 /nfs/dbraw/zinc/52/01/73/789520173.db2.gz JDBMSNHDQNXHCE-NSHDSACASA-N 2 2 259.781 1.058 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001054795439 789761982 /nfs/dbraw/zinc/76/19/82/789761982.db2.gz XJOLPGKZCDIZEE-JSGCOSHPSA-N 2 2 289.379 1.255 20 30 CDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522520 1167210151 /nfs/dbraw/zinc/21/01/51/1167210151.db2.gz WTEYWLUOPQNPAT-LSDHHAIUSA-N 2 2 290.411 1.684 20 30 CDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522520 1167210158 /nfs/dbraw/zinc/21/01/58/1167210158.db2.gz WTEYWLUOPQNPAT-LSDHHAIUSA-N 2 2 290.411 1.684 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193225 913981267 /nfs/dbraw/zinc/98/12/67/913981267.db2.gz VMAVDGTVDYHJCP-ILXRZTDVSA-N 2 2 286.379 1.018 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193225 913981278 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C#CC[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097771 915748159 /nfs/dbraw/zinc/74/81/59/915748159.db2.gz SUTSCAKLPYMENF-UHFFFAOYSA-N 2 2 290.411 1.252 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180006775 916122460 /nfs/dbraw/zinc/12/24/60/916122460.db2.gz HSSNPLSNRAWJNL-KBPBESRZSA-N 2 2 290.411 1.806 20 30 CDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1(C)C ZINC000996398808 918254321 /nfs/dbraw/zinc/25/43/21/918254321.db2.gz KUQXRYNKIDTIAA-TZMCWYRMSA-N 2 2 288.395 1.048 20 30 CDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996398808 918254344 /nfs/dbraw/zinc/25/43/44/918254344.db2.gz KUQXRYNKIDTIAA-TZMCWYRMSA-N 2 2 288.395 1.048 20 30 CDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001183596135 918570188 /nfs/dbraw/zinc/57/01/88/918570188.db2.gz IKTIALRKVFXNPF-UKRRQHHQSA-N 2 2 276.384 1.143 20 30 CDEDLP C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH+]ccc1N ZINC001272807896 919405641 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CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C#CC(C)(C)C ZINC000837415051 936841491 /nfs/dbraw/zinc/84/14/91/936841491.db2.gz MMNSHEZGQQOVJS-UHFFFAOYSA-N 2 2 293.455 1.520 20 30 CDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109384976 928907430 /nfs/dbraw/zinc/90/74/30/928907430.db2.gz VSBNOWXRGJJLGK-ILXRZTDVSA-N 2 2 288.395 1.640 20 30 CDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109384976 928907458 /nfs/dbraw/zinc/90/74/58/928907458.db2.gz VSBNOWXRGJJLGK-ILXRZTDVSA-N 2 2 288.395 1.640 20 30 CDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109384976 928907470 /nfs/dbraw/zinc/90/74/70/928907470.db2.gz VSBNOWXRGJJLGK-ILXRZTDVSA-N 2 2 288.395 1.640 20 30 CDEDLP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134230410 929657873 /nfs/dbraw/zinc/65/78/73/929657873.db2.gz XLLAXSACZBUTGK-CHWSQXEVSA-N 2 2 276.384 1.239 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134745636 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C=CCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210898656 940719688 /nfs/dbraw/zinc/71/96/88/940719688.db2.gz AOIHZAXUIIUISQ-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680903 940902309 /nfs/dbraw/zinc/90/23/09/940902309.db2.gz NWYGUVRBQCBWJD-TZMCWYRMSA-N 2 2 276.384 1.355 20 30 CDEDLP CC(C)C[C@@H](C#N)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220702773 941465149 /nfs/dbraw/zinc/46/51/49/941465149.db2.gz GGNXJMMGRYODOM-UONOGXRCSA-N 2 2 274.368 1.313 20 30 CDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233386945 943573484 /nfs/dbraw/zinc/57/34/84/943573484.db2.gz OISHBUJCBHZEQA-MRXNPFEDSA-N 2 2 271.364 1.791 20 30 CDEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233386945 943573486 /nfs/dbraw/zinc/57/34/86/943573486.db2.gz OISHBUJCBHZEQA-MRXNPFEDSA-N 2 2 271.364 1.791 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233386945 943573488 /nfs/dbraw/zinc/57/34/88/943573488.db2.gz OISHBUJCBHZEQA-MRXNPFEDSA-N 2 2 271.364 1.791 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233386945 943573490 /nfs/dbraw/zinc/57/34/90/943573490.db2.gz OISHBUJCBHZEQA-MRXNPFEDSA-N 2 2 271.364 1.791 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001263097859 943743136 /nfs/dbraw/zinc/74/31/36/943743136.db2.gz LAIDZMQPYKAIAB-ZDUSSCGKSA-N 2 2 276.384 1.799 20 30 CDEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001258899634 945442795 /nfs/dbraw/zinc/44/27/95/945442795.db2.gz OEROVCZADUWWTG-NEPJUHHUSA-N 2 2 276.446 1.558 20 30 CDEDLP C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246048122 947918259 /nfs/dbraw/zinc/91/82/59/947918259.db2.gz VMFCWVFSIBQZIQ-KKUMJFAQSA-N 2 2 252.402 1.907 20 30 CDEDLP C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246048122 947918266 /nfs/dbraw/zinc/91/82/66/947918266.db2.gz VMFCWVFSIBQZIQ-KKUMJFAQSA-N 2 2 252.402 1.907 20 30 CDEDLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001246400381 948154655 /nfs/dbraw/zinc/15/46/55/948154655.db2.gz FIAQYYSSVIZCDA-WFASDCNBSA-N 2 2 289.379 1.359 20 30 CDEDLP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246532084 948232575 /nfs/dbraw/zinc/23/25/75/948232575.db2.gz WGOPDQAWPTVPFF-ZBFHGGJFSA-N 2 2 284.407 1.821 20 30 CDEDLP C[NH+]1CCC([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001256207838 948238434 /nfs/dbraw/zinc/23/84/34/948238434.db2.gz UZYORNJGQXSSHI-UHFFFAOYSA-N 2 2 299.422 1.560 20 30 CDEDLP C[NH+]1CCC([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001256207838 948238443 /nfs/dbraw/zinc/23/84/43/948238443.db2.gz UZYORNJGQXSSHI-UHFFFAOYSA-N 2 2 299.422 1.560 20 30 CDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654309 948390251 /nfs/dbraw/zinc/39/02/51/948390251.db2.gz JVMDOARJXIKQFG-VBNZEHGJSA-N 2 2 255.365 1.912 20 30 CDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654309 948390257 /nfs/dbraw/zinc/39/02/57/948390257.db2.gz JVMDOARJXIKQFG-VBNZEHGJSA-N 2 2 255.365 1.912 20 30 CDEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246720564 948417950 /nfs/dbraw/zinc/41/79/50/948417950.db2.gz ISYZSWZXXZXPDX-BRWVUGGUSA-N 2 2 294.439 1.812 20 30 CDEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246720564 948417952 /nfs/dbraw/zinc/41/79/52/948417952.db2.gz ISYZSWZXXZXPDX-BRWVUGGUSA-N 2 2 294.439 1.812 20 30 CDEDLP C#CCN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324849458 953607483 /nfs/dbraw/zinc/60/74/83/953607483.db2.gz VPXXOEPIXQNCOW-UHFFFAOYSA-N 2 2 274.343 1.134 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308165405 956484024 /nfs/dbraw/zinc/48/40/24/956484024.db2.gz AVXPHLCXWFNUBD-CQSZACIVSA-N 2 2 263.385 1.927 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001366057664 956538774 /nfs/dbraw/zinc/53/87/74/956538774.db2.gz GKLBJDSZJGLJQY-ZDUSSCGKSA-N 2 2 296.802 1.498 20 30 CDEDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001332399604 957547365 /nfs/dbraw/zinc/54/73/65/957547365.db2.gz DRXIHDOXUGXKOB-WFASDCNBSA-N 2 2 259.353 1.819 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001318362941 958060363 /nfs/dbraw/zinc/06/03/63/958060363.db2.gz RSPURDABSOBBPL-CYBMUJFWSA-N 2 2 276.384 1.601 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001318362942 958061483 /nfs/dbraw/zinc/06/14/83/958061483.db2.gz RSPURDABSOBBPL-ZDUSSCGKSA-N 2 2 276.384 1.601 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100392252 968213819 /nfs/dbraw/zinc/21/38/19/968213819.db2.gz ACJYYZVPCZCRQB-UHFFFAOYSA-N 2 2 276.384 1.403 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100392252 968213829 /nfs/dbraw/zinc/21/38/29/968213829.db2.gz ACJYYZVPCZCRQB-UHFFFAOYSA-N 2 2 276.384 1.403 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001372092387 972786030 /nfs/dbraw/zinc/78/60/30/972786030.db2.gz IOSKZKOOWWFQCO-UHFFFAOYSA-N 2 2 273.808 1.129 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001372092387 972786043 /nfs/dbraw/zinc/78/60/43/972786043.db2.gz IOSKZKOOWWFQCO-UHFFFAOYSA-N 2 2 273.808 1.129 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133371225 1163659804 /nfs/dbraw/zinc/65/98/04/1163659804.db2.gz PFXMXDZIUJSARB-KBPBESRZSA-N 2 2 276.384 1.143 20 30 CDEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cn3)C2)C1 ZINC000593992860 342861188 /nfs/dbraw/zinc/86/11/88/342861188.db2.gz FOMAAVSLSJFSHI-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cn3)C2)C1 ZINC000593992860 342861189 /nfs/dbraw/zinc/86/11/89/342861189.db2.gz FOMAAVSLSJFSHI-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000593992860 342861190 /nfs/dbraw/zinc/86/11/90/342861190.db2.gz FOMAAVSLSJFSHI-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000593992860 342861192 /nfs/dbraw/zinc/86/11/92/342861192.db2.gz FOMAAVSLSJFSHI-MRXNPFEDSA-N 2 2 270.380 1.871 20 30 CDEDLP C#CC[NH+](CC#C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000076185797 342320075 /nfs/dbraw/zinc/32/00/75/342320075.db2.gz YWZLFHIIVQDCOC-MRXNPFEDSA-N 2 2 295.386 1.582 20 30 CDEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442845314 362094740 /nfs/dbraw/zinc/09/47/40/362094740.db2.gz HPGGFGRKHHJUBM-RDBSUJKOSA-N 2 2 251.374 1.379 20 30 CDEDLP C=CCCSCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000596650960 343371494 /nfs/dbraw/zinc/37/14/94/343371494.db2.gz MNNATPKOCFRTAC-STQMWFEESA-N 2 2 258.431 1.652 20 30 CDEDLP C=CC[C@@H]1[N@H+](CC(=O)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000444782580 362203369 /nfs/dbraw/zinc/20/33/69/362203369.db2.gz JLVUUUFODDYDHK-HNNXBMFYSA-N 2 2 293.455 1.827 20 30 CDEDLP C=CC[C@@H]1[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000444782580 362203370 /nfs/dbraw/zinc/20/33/70/362203370.db2.gz JLVUUUFODDYDHK-HNNXBMFYSA-N 2 2 293.455 1.827 20 30 CDEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598722964 343884830 /nfs/dbraw/zinc/88/48/30/343884830.db2.gz FEGCTNDJAZAUTL-AWEZNQCLSA-N 2 2 261.369 1.823 20 30 CDEDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598728651 343887285 /nfs/dbraw/zinc/88/72/85/343887285.db2.gz DZLRHUUGNUQMPW-QWHCGFSZSA-N 2 2 253.390 1.361 20 30 CDEDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598728651 343887287 /nfs/dbraw/zinc/88/72/87/343887287.db2.gz DZLRHUUGNUQMPW-QWHCGFSZSA-N 2 2 253.390 1.361 20 30 CDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)C[C@H](C)O1 ZINC000598701824 343889686 /nfs/dbraw/zinc/88/96/86/343889686.db2.gz ZDLKAARLZQBBHP-QLFBSQMISA-N 2 2 297.443 1.376 20 30 CDEDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)C[C@H](C)O1 ZINC000598701824 343889688 /nfs/dbraw/zinc/88/96/88/343889688.db2.gz ZDLKAARLZQBBHP-QLFBSQMISA-N 2 2 297.443 1.376 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000264120824 362971638 /nfs/dbraw/zinc/97/16/38/362971638.db2.gz UULAUTIIHYVYJD-LLVKDONJSA-N 2 2 296.440 1.045 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000264120824 362971642 /nfs/dbraw/zinc/97/16/42/362971642.db2.gz UULAUTIIHYVYJD-LLVKDONJSA-N 2 2 296.440 1.045 20 30 CDEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000566092715 357243049 /nfs/dbraw/zinc/24/30/49/357243049.db2.gz KKAQAIOVYHVHQD-RDJZCZTQSA-N 2 2 285.391 1.904 20 30 CDEDLP CC1(C#N)CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000599008035 358724583 /nfs/dbraw/zinc/72/45/83/358724583.db2.gz FZZJHNBNFVKONJ-ROKHWSDSSA-N 2 2 251.374 1.115 20 30 CDEDLP CC1(C#N)CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000599008035 358724588 /nfs/dbraw/zinc/72/45/88/358724588.db2.gz FZZJHNBNFVKONJ-ROKHWSDSSA-N 2 2 251.374 1.115 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC[NH+](CCC)CC2)C1=O ZINC000337187601 360031346 /nfs/dbraw/zinc/03/13/46/360031346.db2.gz PUMKXDFPQRLQNK-OAHLLOKOSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC[NH+](CCC)CC2)C1=O ZINC000337187601 360031352 /nfs/dbraw/zinc/03/13/52/360031352.db2.gz PUMKXDFPQRLQNK-OAHLLOKOSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000123365872 360631347 /nfs/dbraw/zinc/63/13/47/360631347.db2.gz FOKZQNYGRUEPJM-GFCCVEGCSA-N 2 2 265.401 1.141 20 30 CDEDLP CC[NH+]1CCC(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000399451333 364974475 /nfs/dbraw/zinc/97/44/75/364974475.db2.gz OQFZIVCAVLVRQR-UHFFFAOYSA-N 2 2 258.369 1.827 20 30 CDEDLP N#C[C@H]1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000555511614 370234219 /nfs/dbraw/zinc/23/42/19/370234219.db2.gz ICJQMVUTGCJHGZ-ARFHVFGLSA-N 2 2 277.412 1.723 20 30 CDEDLP N#C[C@H]1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000555511614 370234224 /nfs/dbraw/zinc/23/42/24/370234224.db2.gz ICJQMVUTGCJHGZ-ARFHVFGLSA-N 2 2 277.412 1.723 20 30 CDEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000183835553 372644978 /nfs/dbraw/zinc/64/49/78/372644978.db2.gz FSJIMWCPGPNSMP-CYBMUJFWSA-N 2 2 258.369 1.795 20 30 CDEDLP N#Cc1cccc([C@@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000378337079 374640018 /nfs/dbraw/zinc/64/00/18/374640018.db2.gz JAKWQQRPFGKVJB-INIZCTEOSA-N 2 2 282.347 1.828 20 30 CDEDLP N#Cc1cccc([C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000378337079 374640022 /nfs/dbraw/zinc/64/00/22/374640022.db2.gz JAKWQQRPFGKVJB-INIZCTEOSA-N 2 2 282.347 1.828 20 30 CDEDLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353655293 375747969 /nfs/dbraw/zinc/74/79/69/375747969.db2.gz FXIOXYMFIBJAIU-JKSUJKDBSA-N 2 2 271.364 1.202 20 30 CDEDLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353655293 375747975 /nfs/dbraw/zinc/74/79/75/375747975.db2.gz FXIOXYMFIBJAIU-JKSUJKDBSA-N 2 2 271.364 1.202 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000252692466 377708745 /nfs/dbraw/zinc/70/87/45/377708745.db2.gz LYJFXXJYKWDOKB-LZWOXQAQSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000252692466 377708747 /nfs/dbraw/zinc/70/87/47/377708747.db2.gz LYJFXXJYKWDOKB-LZWOXQAQSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000252692466 377708749 /nfs/dbraw/zinc/70/87/49/377708749.db2.gz LYJFXXJYKWDOKB-LZWOXQAQSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000252692466 377708752 /nfs/dbraw/zinc/70/87/52/377708752.db2.gz LYJFXXJYKWDOKB-LZWOXQAQSA-N 2 2 289.423 1.073 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1=O ZINC000352922777 391315812 /nfs/dbraw/zinc/31/58/12/391315812.db2.gz SFZUKZLFTIZCJW-IXXDHKBRSA-N 2 2 277.412 1.330 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1=O ZINC000352922777 391315814 /nfs/dbraw/zinc/31/58/14/391315814.db2.gz SFZUKZLFTIZCJW-IXXDHKBRSA-N 2 2 277.412 1.330 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1=O ZINC000352922777 391315815 /nfs/dbraw/zinc/31/58/15/391315815.db2.gz SFZUKZLFTIZCJW-IXXDHKBRSA-N 2 2 277.412 1.330 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1=O ZINC000352922777 391315816 /nfs/dbraw/zinc/31/58/16/391315816.db2.gz SFZUKZLFTIZCJW-IXXDHKBRSA-N 2 2 277.412 1.330 20 30 CDEDLP Cc1nc(N2CC[NH+](CCCSCC#N)CC2)cc[nH+]1 ZINC000183783344 391739779 /nfs/dbraw/zinc/73/97/79/391739779.db2.gz SMEHQTKLCVDZDU-UHFFFAOYSA-N 2 2 291.424 1.554 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000191402512 130231743 /nfs/dbraw/zinc/23/17/43/130231743.db2.gz FLBLRVCXFAODCY-AWEZNQCLSA-N 2 2 288.395 1.051 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000191402512 130231746 /nfs/dbraw/zinc/23/17/46/130231746.db2.gz FLBLRVCXFAODCY-AWEZNQCLSA-N 2 2 288.395 1.051 20 30 CDEDLP COc1ccc(NC(=[NH2+])NCC[NH+]2CCSCC2)cc1 ZINC000262529465 391793871 /nfs/dbraw/zinc/79/38/71/391793871.db2.gz MPMMGUCSYYZBCS-UHFFFAOYSA-N 2 2 294.424 1.471 20 30 CDEDLP C[C@@H]1C[NH+]=C(NCc2ccccc2Cn2cc[nH+]c2)N1 ZINC000262654345 391807680 /nfs/dbraw/zinc/80/76/80/391807680.db2.gz LFVFZCWMMORTLE-GFCCVEGCSA-N 2 2 269.352 1.369 20 30 CDEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271330120 135095132 /nfs/dbraw/zinc/09/51/32/135095132.db2.gz VJYRGKITIRYNCW-MRXNPFEDSA-N 2 2 299.422 1.560 20 30 CDEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271330120 135095135 /nfs/dbraw/zinc/09/51/35/135095135.db2.gz VJYRGKITIRYNCW-MRXNPFEDSA-N 2 2 299.422 1.560 20 30 CDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC001664919009 1172924712 /nfs/dbraw/zinc/92/47/12/1172924712.db2.gz SWZDUOFUADIGLJ-UHFFFAOYSA-N 2 2 256.353 1.670 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)nn1 ZINC000657309144 414147065 /nfs/dbraw/zinc/14/70/65/414147065.db2.gz JWGRYNXJYIMEKC-GFCCVEGCSA-N 2 2 260.345 1.229 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C(C)(C)C)CC1 ZINC000490853484 261227331 /nfs/dbraw/zinc/22/73/31/261227331.db2.gz RSHCHGICIXWISK-HNNXBMFYSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(C)(C)C)CC1 ZINC000490853484 261227333 /nfs/dbraw/zinc/22/73/33/261227333.db2.gz RSHCHGICIXWISK-HNNXBMFYSA-N 2 2 291.439 1.274 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCc1c[nH+]cn1C ZINC000328851832 263880441 /nfs/dbraw/zinc/88/04/41/263880441.db2.gz SCYINIXBAWKGLV-GFCCVEGCSA-N 2 2 280.372 1.030 20 30 CDEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCc1c[nH+]cn1C ZINC000328851832 263880443 /nfs/dbraw/zinc/88/04/43/263880443.db2.gz SCYINIXBAWKGLV-GFCCVEGCSA-N 2 2 280.372 1.030 20 30 CDEDLP C=CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000117882792 267224203 /nfs/dbraw/zinc/22/42/03/267224203.db2.gz SICKYGZYBSYJHB-OAHLLOKOSA-N 2 2 252.402 1.997 20 30 CDEDLP C=CCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000117882792 267224207 /nfs/dbraw/zinc/22/42/07/267224207.db2.gz SICKYGZYBSYJHB-OAHLLOKOSA-N 2 2 252.402 1.997 20 30 CDEDLP Cc1cc(NC[C@@H]2[NH2+]CCCC2(C)C)c(C#N)c[nH+]1 ZINC000398977093 267300149 /nfs/dbraw/zinc/30/01/49/267300149.db2.gz BYLRODNWXQRFKD-AWEZNQCLSA-N 2 2 258.369 1.874 20 30 CDEDLP Cc1cc(NCC[NH+]2CCSCC2)c(C#N)c[nH+]1 ZINC000399612858 267300611 /nfs/dbraw/zinc/30/06/11/267300611.db2.gz YPDPBVQDKOEFRQ-UHFFFAOYSA-N 2 2 262.382 1.144 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000292747084 275380837 /nfs/dbraw/zinc/38/08/37/275380837.db2.gz JICMRMSFVBIUGQ-UHFFFAOYSA-N 2 2 273.384 1.444 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000292747084 275380840 /nfs/dbraw/zinc/38/08/40/275380840.db2.gz JICMRMSFVBIUGQ-UHFFFAOYSA-N 2 2 273.384 1.444 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000292747084 275380841 /nfs/dbraw/zinc/38/08/41/275380841.db2.gz JICMRMSFVBIUGQ-UHFFFAOYSA-N 2 2 273.384 1.444 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000292747084 275380844 /nfs/dbraw/zinc/38/08/44/275380844.db2.gz JICMRMSFVBIUGQ-UHFFFAOYSA-N 2 2 273.384 1.444 20 30 CDEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000563375311 328058342 /nfs/dbraw/zinc/05/83/42/328058342.db2.gz ULSIUXCBBMPPIL-ZDUSSCGKSA-N 2 2 291.399 1.282 20 30 CDEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000563375311 328058343 /nfs/dbraw/zinc/05/83/43/328058343.db2.gz ULSIUXCBBMPPIL-ZDUSSCGKSA-N 2 2 291.399 1.282 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000263237740 330050066 /nfs/dbraw/zinc/05/00/66/330050066.db2.gz KEBTWVKMNVUSHC-BETUJISGSA-N 2 2 282.432 1.355 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000263237740 330050067 /nfs/dbraw/zinc/05/00/67/330050067.db2.gz KEBTWVKMNVUSHC-BETUJISGSA-N 2 2 282.432 1.355 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422857961 330157709 /nfs/dbraw/zinc/15/77/09/330157709.db2.gz HUWMJQXIQMDZGK-ZFWWWQNUSA-N 3 2 251.418 1.615 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000424135934 330270762 /nfs/dbraw/zinc/27/07/62/330270762.db2.gz PUDSFILLMSFMDP-GFCCVEGCSA-N 2 2 275.356 1.021 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC(C)(C)C2)CC1 ZINC000491569559 332240326 /nfs/dbraw/zinc/24/03/26/332240326.db2.gz WQQNDJKGSGHIQA-OAHLLOKOSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCC(C)(C)C2)CC1 ZINC000491569559 332240328 /nfs/dbraw/zinc/24/03/28/332240328.db2.gz WQQNDJKGSGHIQA-OAHLLOKOSA-N 2 2 291.439 1.274 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654455 482595718 /nfs/dbraw/zinc/59/57/18/482595718.db2.gz ZZKKGXORJDVRNI-KRWDZBQOSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654455 482595719 /nfs/dbraw/zinc/59/57/19/482595719.db2.gz ZZKKGXORJDVRNI-KRWDZBQOSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654455 482595722 /nfs/dbraw/zinc/59/57/22/482595722.db2.gz ZZKKGXORJDVRNI-KRWDZBQOSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654455 482595723 /nfs/dbraw/zinc/59/57/23/482595723.db2.gz ZZKKGXORJDVRNI-KRWDZBQOSA-N 2 2 291.439 1.605 20 30 CDEDLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329812833 538669517 /nfs/dbraw/zinc/66/95/17/538669517.db2.gz DEUVKVXUMQQUIN-ZDUSSCGKSA-N 2 2 291.399 1.487 20 30 CDEDLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329812833 538669525 /nfs/dbraw/zinc/66/95/25/538669525.db2.gz DEUVKVXUMQQUIN-ZDUSSCGKSA-N 2 2 291.399 1.487 20 30 CDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000742370929 576598554 /nfs/dbraw/zinc/59/85/54/576598554.db2.gz VGEGZQOFFKZCES-INIZCTEOSA-N 2 2 289.379 1.884 20 30 CDEDLP N#Cc1ccc(C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000746651297 576787958 /nfs/dbraw/zinc/78/79/58/576787958.db2.gz RAIGUMGKHOAFFM-GOSISDBHSA-N 2 2 299.418 1.979 20 30 CDEDLP N#Cc1ccc(C[N@H+](C[C@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000746651297 576787959 /nfs/dbraw/zinc/78/79/59/576787959.db2.gz RAIGUMGKHOAFFM-GOSISDBHSA-N 2 2 299.418 1.979 20 30 CDEDLP C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@@H]3N2)C[N@@H+]1C1CC1 ZINC000753937769 576867672 /nfs/dbraw/zinc/86/76/72/576867672.db2.gz GKVKJBDWQYKNNN-HONMWMINSA-N 2 2 275.400 1.459 20 30 CDEDLP C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@@H]3N2)C[N@H+]1C1CC1 ZINC000753937769 576867673 /nfs/dbraw/zinc/86/76/73/576867673.db2.gz GKVKJBDWQYKNNN-HONMWMINSA-N 2 2 275.400 1.459 20 30 CDEDLP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968596851 613024169 /nfs/dbraw/zinc/02/41/69/613024169.db2.gz NFWKPRKUQQJFRO-SWLSCSKDSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968596851 613024171 /nfs/dbraw/zinc/02/41/71/613024171.db2.gz NFWKPRKUQQJFRO-SWLSCSKDSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2CC2)CC1 ZINC000948825723 613195625 /nfs/dbraw/zinc/19/56/25/613195625.db2.gz OVQUMUQKHYCVLK-INIZCTEOSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2CC2)CC1 ZINC000948825723 613195626 /nfs/dbraw/zinc/19/56/26/613195626.db2.gz OVQUMUQKHYCVLK-INIZCTEOSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183144 613234592 /nfs/dbraw/zinc/23/45/92/613234592.db2.gz GJOHJMFVKXNZIU-GXTWGEPZSA-N 2 2 296.374 1.636 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183144 613234593 /nfs/dbraw/zinc/23/45/93/613234593.db2.gz GJOHJMFVKXNZIU-GXTWGEPZSA-N 2 2 296.374 1.636 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177799 613271150 /nfs/dbraw/zinc/27/11/50/613271150.db2.gz QHTMGRPHZQWOQN-HIFRSBDPSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177799 613271152 /nfs/dbraw/zinc/27/11/52/613271152.db2.gz QHTMGRPHZQWOQN-HIFRSBDPSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767051 613271187 /nfs/dbraw/zinc/27/11/87/613271187.db2.gz QHYHBBZPQPPRGB-KBPBESRZSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767051 613271188 /nfs/dbraw/zinc/27/11/88/613271188.db2.gz QHYHBBZPQPPRGB-KBPBESRZSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971721296 613284928 /nfs/dbraw/zinc/28/49/28/613284928.db2.gz ZOSCHDHYPHNLPV-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971721296 613284929 /nfs/dbraw/zinc/28/49/29/613284929.db2.gz ZOSCHDHYPHNLPV-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000971721296 613284930 /nfs/dbraw/zinc/28/49/30/613284930.db2.gz ZOSCHDHYPHNLPV-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000971721296 613284931 /nfs/dbraw/zinc/28/49/31/613284931.db2.gz ZOSCHDHYPHNLPV-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944443562 613327662 /nfs/dbraw/zinc/32/76/62/613327662.db2.gz HETDWQOHKXRMAS-GXTWGEPZSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944443562 613327664 /nfs/dbraw/zinc/32/76/64/613327664.db2.gz HETDWQOHKXRMAS-GXTWGEPZSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000969906160 613348951 /nfs/dbraw/zinc/34/89/51/613348951.db2.gz MZSXNKFGCSWOAI-OLZOCXBDSA-N 2 2 288.395 1.596 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000968537345 613384541 /nfs/dbraw/zinc/38/45/41/613384541.db2.gz RULKFOSDRQUCCF-LLVKDONJSA-N 2 2 282.775 1.285 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947862008 613521886 /nfs/dbraw/zinc/52/18/86/613521886.db2.gz RFUIRXIXCZITII-CHWSQXEVSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947862008 613521889 /nfs/dbraw/zinc/52/18/89/613521889.db2.gz RFUIRXIXCZITII-CHWSQXEVSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433670 613628020 /nfs/dbraw/zinc/62/80/20/613628020.db2.gz SIMFDAMFQINEBK-LBPRGKRZSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433670 613628022 /nfs/dbraw/zinc/62/80/22/613628022.db2.gz SIMFDAMFQINEBK-LBPRGKRZSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892880506 617856516 /nfs/dbraw/zinc/85/65/16/617856516.db2.gz BPDSJUCXSROVNO-LSDHHAIUSA-N 2 2 298.402 1.860 20 30 CDEDLP C=CC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893023434 618070039 /nfs/dbraw/zinc/07/00/39/618070039.db2.gz QOGSWESNTLKMER-ZDUSSCGKSA-N 2 2 294.443 1.419 20 30 CDEDLP C=CC(C)(C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893023434 618070044 /nfs/dbraw/zinc/07/00/44/618070044.db2.gz QOGSWESNTLKMER-ZDUSSCGKSA-N 2 2 294.443 1.419 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900474407 623149962 /nfs/dbraw/zinc/14/99/62/623149962.db2.gz QIHBYRZBSDKJEG-CVEARBPZSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900474407 623149970 /nfs/dbraw/zinc/14/99/70/623149970.db2.gz QIHBYRZBSDKJEG-CVEARBPZSA-N 2 2 289.423 1.171 20 30 CDEDLP C[C@@H](Nc1cc(C2(C#N)CC2)cc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001170567011 1162939752 /nfs/dbraw/zinc/93/97/52/1162939752.db2.gz BRFYYBUIFSHOCZ-DGCLKSJQSA-N 2 2 272.352 1.426 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132028733 1163152727 /nfs/dbraw/zinc/15/27/27/1163152727.db2.gz ATWHSIITMKDCOC-KBPBESRZSA-N 2 2 288.395 1.335 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132028733 1163152731 /nfs/dbraw/zinc/15/27/31/1163152731.db2.gz ATWHSIITMKDCOC-KBPBESRZSA-N 2 2 288.395 1.335 20 30 CDEDLP C=CCCCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113724170 1162268460 /nfs/dbraw/zinc/26/84/60/1162268460.db2.gz MYVMIQLONFGYBB-UHFFFAOYSA-N 2 2 290.411 1.774 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097219150 1166967717 /nfs/dbraw/zinc/96/77/17/1166967717.db2.gz VCBZDVYQGATLON-KBXIAJHMSA-N 2 2 298.390 1.115 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097219150 1166967725 /nfs/dbraw/zinc/96/77/25/1166967725.db2.gz VCBZDVYQGATLON-KBXIAJHMSA-N 2 2 298.390 1.115 20 30 CDEDLP C#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001574757452 1171006450 /nfs/dbraw/zinc/00/64/50/1171006450.db2.gz PWXKKPDWAQOWBA-INIZCTEOSA-N 2 2 285.391 1.810 20 30 CDEDLP C[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)[C@H]1C[NH3+] ZINC001576708317 1171495254 /nfs/dbraw/zinc/49/52/54/1171495254.db2.gz CHIQTANFBUKYEN-CJNGLKHVSA-N 2 2 273.380 1.996 20 30 CDEDLP C[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)[C@H]1C[NH3+] ZINC001576708317 1171495258 /nfs/dbraw/zinc/49/52/58/1171495258.db2.gz CHIQTANFBUKYEN-CJNGLKHVSA-N 2 2 273.380 1.996 20 30 CDEDLP Cc1c[nH+]cc(C)c1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001579824478 1172272382 /nfs/dbraw/zinc/27/23/82/1172272382.db2.gz CSRBTCQEEQSRTL-LBPRGKRZSA-N 2 2 260.341 1.470 20 30 CDEDLP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001752568642 1184878121 /nfs/dbraw/zinc/87/81/21/1184878121.db2.gz RVTLTWZUXOBDGB-GASCZTMLSA-N 2 2 288.395 1.525 20 30 CDEDLP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001752568642 1184878127 /nfs/dbraw/zinc/87/81/27/1184878127.db2.gz RVTLTWZUXOBDGB-GASCZTMLSA-N 2 2 288.395 1.525 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001752805370 1184918814 /nfs/dbraw/zinc/91/88/14/1184918814.db2.gz PEPIZCCMKCOYFJ-HNNXBMFYSA-N 2 2 290.411 1.678 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001752805371 1184919075 /nfs/dbraw/zinc/91/90/75/1184919075.db2.gz PEPIZCCMKCOYFJ-OAHLLOKOSA-N 2 2 290.411 1.678 20 30 CDEDLP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752971301 1184979637 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C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038341707 796045392 /nfs/dbraw/zinc/04/53/92/796045392.db2.gz SXJPUGBWQOYZLO-HOTGVXAUSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038341707 796045401 /nfs/dbraw/zinc/04/54/01/796045401.db2.gz SXJPUGBWQOYZLO-HOTGVXAUSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038341707 796045411 /nfs/dbraw/zinc/04/54/11/796045411.db2.gz SXJPUGBWQOYZLO-HOTGVXAUSA-N 2 2 289.423 1.217 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001015002213 796213402 /nfs/dbraw/zinc/21/34/02/796213402.db2.gz YYCUDPOJYHBGDF-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001015002213 796213416 /nfs/dbraw/zinc/21/34/16/796213416.db2.gz YYCUDPOJYHBGDF-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCOCC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167428267 895638256 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CDEDLP C[C@H](CCCC#N)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001172486706 911690908 /nfs/dbraw/zinc/69/09/08/911690908.db2.gz DDALDIPAVLPXGN-CQSZACIVSA-N 3 2 254.422 1.671 20 30 CDEDLP C[C@H](CCCC#N)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001172486706 911690911 /nfs/dbraw/zinc/69/09/11/911690911.db2.gz DDALDIPAVLPXGN-CQSZACIVSA-N 3 2 254.422 1.671 20 30 CDEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH+]ccc1N ZINC001272809074 919434780 /nfs/dbraw/zinc/43/47/80/919434780.db2.gz WABRGPZFJWTVCF-HUUCEWRRSA-N 2 2 286.379 1.245 20 30 CDEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c[nH+]ccc1N ZINC001272809074 919434790 /nfs/dbraw/zinc/43/47/90/919434790.db2.gz WABRGPZFJWTVCF-HUUCEWRRSA-N 2 2 286.379 1.245 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001185750044 919755431 /nfs/dbraw/zinc/75/54/31/919755431.db2.gz RCQHMJMNMCXBJF-MGPQQGTHSA-N 2 2 288.395 1.290 20 30 CDEDLP C=CCCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100790369 936937984 /nfs/dbraw/zinc/93/79/84/936937984.db2.gz XZRCANORSIYZRG-UHFFFAOYSA-N 2 2 276.384 1.403 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205763520 924840310 /nfs/dbraw/zinc/84/03/10/924840310.db2.gz QNIVIPHBXREDAW-CYBMUJFWSA-N 2 2 265.307 1.974 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205763520 924840315 /nfs/dbraw/zinc/84/03/15/924840315.db2.gz QNIVIPHBXREDAW-CYBMUJFWSA-N 2 2 265.307 1.974 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593793 926191308 /nfs/dbraw/zinc/19/13/08/926191308.db2.gz ROEIWKHBVHPXDS-GJZGRUSLSA-N 2 2 277.412 1.025 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085593793 926191311 /nfs/dbraw/zinc/19/13/11/926191311.db2.gz ROEIWKHBVHPXDS-GJZGRUSLSA-N 2 2 277.412 1.025 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085593793 926191315 /nfs/dbraw/zinc/19/13/15/926191315.db2.gz ROEIWKHBVHPXDS-GJZGRUSLSA-N 2 2 277.412 1.025 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085593793 926191317 /nfs/dbraw/zinc/19/13/17/926191317.db2.gz ROEIWKHBVHPXDS-GJZGRUSLSA-N 2 2 277.412 1.025 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085687254 926284505 /nfs/dbraw/zinc/28/45/05/926284505.db2.gz LSLOAIFXEDLQAQ-HOTGVXAUSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085687254 926284508 /nfs/dbraw/zinc/28/45/08/926284508.db2.gz LSLOAIFXEDLQAQ-HOTGVXAUSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687254 926284517 /nfs/dbraw/zinc/28/45/17/926284517.db2.gz LSLOAIFXEDLQAQ-HOTGVXAUSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687254 926284524 /nfs/dbraw/zinc/28/45/24/926284524.db2.gz LSLOAIFXEDLQAQ-HOTGVXAUSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086400701 927077298 /nfs/dbraw/zinc/07/72/98/927077298.db2.gz SMBKVNKIJAGVSV-AULYBMBSSA-N 2 2 282.347 1.294 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135130813 930068927 /nfs/dbraw/zinc/06/89/27/930068927.db2.gz AQBWTZYCAVRUOB-OLZOCXBDSA-N 2 2 264.373 1.332 20 30 CDEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799764 930427838 /nfs/dbraw/zinc/42/78/38/930427838.db2.gz XNWRTMNGMOLPMO-QWHCGFSZSA-N 2 2 294.399 1.028 20 30 CDEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cncc(C#N)c1)CC2 ZINC001144080694 931651068 /nfs/dbraw/zinc/65/10/68/931651068.db2.gz VQKKIHHHLIKTJZ-UHFFFAOYSA-N 2 2 299.378 1.583 20 30 CDEDLP N#Cc1cc(Cl)nnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155054235 937628183 /nfs/dbraw/zinc/62/81/83/937628183.db2.gz VQRLOSXSUGRJDS-UHFFFAOYSA-N 2 2 288.742 1.654 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@]2(C(C)C)CCC[NH2+]C2)CC1 ZINC001160432473 938787047 /nfs/dbraw/zinc/78/70/47/938787047.db2.gz XBIATTKZLAVHEA-MRXNPFEDSA-N 2 2 279.428 1.342 20 30 CDEDLP N#Cc1c(Cl)ccnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160512540 938792617 /nfs/dbraw/zinc/79/26/17/938792617.db2.gz WUZYHPCWPUGDCJ-CQSZACIVSA-N 2 2 291.786 1.442 20 30 CDEDLP N#CCc1cc[nH+]c(NCCC[NH2+]CCCC[NH3+])c1 ZINC001162292260 938972194 /nfs/dbraw/zinc/97/21/94/938972194.db2.gz MGLMAQWUQVMJTM-UHFFFAOYSA-N 3 2 261.373 1.278 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ccc3[nH]c(C#N)cc3n1)CC[NH2+]CC2 ZINC001165354540 939550517 /nfs/dbraw/zinc/55/05/17/939550517.db2.gz DFNDPYBFQISAIK-UHFFFAOYSA-N 2 2 292.346 1.617 20 30 CDEDLP Cc1[nH+]c2c(n1-c1cc(CC#N)ccn1)CC[NH2+]CC2 ZINC001165354921 939550611 /nfs/dbraw/zinc/55/06/11/939550611.db2.gz MUPQPEQTKVUYKB-UHFFFAOYSA-N 2 2 267.336 1.330 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ncc(Cl)cc1C#N)CC[NH2+]CC2 ZINC001165354728 939550802 /nfs/dbraw/zinc/55/08/02/939550802.db2.gz IEBGMGDWZYCNOQ-UHFFFAOYSA-N 2 2 287.754 1.789 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166473654 939609515 /nfs/dbraw/zinc/60/95/15/939609515.db2.gz CFCVVZAXDFSADT-UHFFFAOYSA-N 2 2 276.384 1.335 20 30 CDEDLP C=CCCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204083333 939731282 /nfs/dbraw/zinc/73/12/82/939731282.db2.gz GOGMMOIXXRTHOF-UHFFFAOYSA-N 2 2 276.384 1.430 20 30 CDEDLP C=CCN(CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1)C(=O)OCC ZINC001206154307 939987049 /nfs/dbraw/zinc/98/70/49/939987049.db2.gz IUPPMZWDZZIDNG-CHWSQXEVSA-N 2 2 287.379 1.392 20 30 CDEDLP C=CCN(CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1)C(=O)OCC ZINC001206154307 939987050 /nfs/dbraw/zinc/98/70/50/939987050.db2.gz IUPPMZWDZZIDNG-CHWSQXEVSA-N 2 2 287.379 1.392 20 30 CDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420760 940330160 /nfs/dbraw/zinc/33/01/60/940330160.db2.gz RJSXUSLCUPQQSY-AWEZNQCLSA-N 2 2 296.374 1.780 20 30 CDEDLP N#CCOc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235981584 944344750 /nfs/dbraw/zinc/34/47/50/944344750.db2.gz RHHRPVKASQFTPJ-HIFRSBDPSA-N 2 2 257.337 1.512 20 30 CDEDLP N#CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235981584 944344758 /nfs/dbraw/zinc/34/47/58/944344758.db2.gz RHHRPVKASQFTPJ-HIFRSBDPSA-N 2 2 257.337 1.512 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399410 947852862 /nfs/dbraw/zinc/85/28/62/947852862.db2.gz RLGSSJOQTPUFOJ-MSOLQXFVSA-N 2 2 298.434 1.838 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399410 947852868 /nfs/dbraw/zinc/85/28/68/947852868.db2.gz RLGSSJOQTPUFOJ-MSOLQXFVSA-N 2 2 298.434 1.838 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246887405 948502325 /nfs/dbraw/zinc/50/23/25/948502325.db2.gz NJZLSZCMKVCJNQ-BBWFWOEESA-N 2 2 284.407 1.147 20 30 CDEDLP C=CCOC[C@@H](O)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001252471734 951321604 /nfs/dbraw/zinc/32/16/04/951321604.db2.gz HESQNSRJWMUXSU-KRWDZBQOSA-N 2 2 296.455 1.889 20 30 CDEDLP C=CCOC[C@@H](O)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001252471734 951321615 /nfs/dbraw/zinc/32/16/15/951321615.db2.gz HESQNSRJWMUXSU-KRWDZBQOSA-N 2 2 296.455 1.889 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC001253412623 951896819 /nfs/dbraw/zinc/89/68/19/951896819.db2.gz NFRSZMKNINPWFU-NSHDSACASA-N 2 2 267.398 1.458 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)nnn3C)CC1 ZINC001308247539 956499845 /nfs/dbraw/zinc/49/98/45/956499845.db2.gz SLRMWJKSEHTBBO-UHFFFAOYSA-N 2 2 285.395 1.708 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001437486135 962951078 /nfs/dbraw/zinc/95/10/78/962951078.db2.gz ZCOQFBBLCVZDLF-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001437486135 962951030 /nfs/dbraw/zinc/95/10/30/962951030.db2.gz ZCOQFBBLCVZDLF-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001437486135 962951048 /nfs/dbraw/zinc/95/10/48/962951048.db2.gz ZCOQFBBLCVZDLF-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001437486135 962951063 /nfs/dbraw/zinc/95/10/63/962951063.db2.gz ZCOQFBBLCVZDLF-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001420477560 962952723 /nfs/dbraw/zinc/95/27/23/962952723.db2.gz KGKLXMLANNFSAY-LBPRGKRZSA-N 2 2 297.362 1.118 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001441424915 964510287 /nfs/dbraw/zinc/51/02/87/964510287.db2.gz RUCSLLPKXODCCB-AVGNSLFASA-N 2 2 296.802 1.824 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001445109002 966102565 /nfs/dbraw/zinc/10/25/65/966102565.db2.gz KSJKWKMXDOQVDQ-WCQYABFASA-N 2 2 296.802 1.579 20 30 CDEDLP C=CCCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710472 968995946 /nfs/dbraw/zinc/99/59/46/968995946.db2.gz SVKVZMYPENGNKS-UHFFFAOYSA-N 2 2 276.384 1.403 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001357414482 969584129 /nfs/dbraw/zinc/58/41/29/969584129.db2.gz PJEXMNGPUYQWAQ-ZDUSSCGKSA-N 2 2 272.352 1.634 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001374912861 974176903 /nfs/dbraw/zinc/17/69/03/974176903.db2.gz AXPGOLLEXPMEAV-NSHDSACASA-N 2 2 292.770 1.795 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001403176617 976786855 /nfs/dbraw/zinc/78/68/55/976786855.db2.gz XFZFACJADXAGTD-LBPRGKRZSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001403176617 976786866 /nfs/dbraw/zinc/78/68/66/976786866.db2.gz XFZFACJADXAGTD-LBPRGKRZSA-N 2 2 287.835 1.517 20 30 CDEDLP CC[N@H+](CCC[NH+](C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000564986232 365547076 /nfs/dbraw/zinc/54/70/76/365547076.db2.gz PEWCBYSGQIWOKO-UHFFFAOYSA-N 2 2 286.383 1.375 20 30 CDEDLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000564986232 365547081 /nfs/dbraw/zinc/54/70/81/365547081.db2.gz PEWCBYSGQIWOKO-UHFFFAOYSA-N 2 2 286.383 1.375 20 30 CDEDLP C[NH+]1CCN(C[C@H]([NH2+]CCC#N)c2ccccc2)CC1 ZINC000591733529 342644651 /nfs/dbraw/zinc/64/46/51/342644651.db2.gz CGZGQLXHLNPLST-INIZCTEOSA-N 2 2 272.396 1.478 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000602474311 342166305 /nfs/dbraw/zinc/16/63/05/342166305.db2.gz TXHNIIFOGILVEX-AWEZNQCLSA-N 2 2 270.380 1.871 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000602474311 342166306 /nfs/dbraw/zinc/16/63/06/342166306.db2.gz TXHNIIFOGILVEX-AWEZNQCLSA-N 2 2 270.380 1.871 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594612959 342927306 /nfs/dbraw/zinc/92/73/06/342927306.db2.gz REMJKFJIXNEQAU-TZMCWYRMSA-N 2 2 251.374 1.522 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631026 342282629 /nfs/dbraw/zinc/28/26/29/342282629.db2.gz SRQXMAWEUUIEMY-UKRRQHHQSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631026 342282630 /nfs/dbraw/zinc/28/26/30/342282630.db2.gz SRQXMAWEUUIEMY-UKRRQHHQSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081631026 342282631 /nfs/dbraw/zinc/28/26/31/342282631.db2.gz SRQXMAWEUUIEMY-UKRRQHHQSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081631026 342282632 /nfs/dbraw/zinc/28/26/32/342282632.db2.gz SRQXMAWEUUIEMY-UKRRQHHQSA-N 2 2 279.428 1.341 20 30 CDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1C[C@@H]1C ZINC000083899433 342377923 /nfs/dbraw/zinc/37/79/23/342377923.db2.gz BVHHXNCDTDKEOC-WCQYABFASA-N 2 2 292.452 1.680 20 30 CDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1C[C@@H]1C ZINC000083899433 342377924 /nfs/dbraw/zinc/37/79/24/342377924.db2.gz BVHHXNCDTDKEOC-WCQYABFASA-N 2 2 292.452 1.680 20 30 CDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000619718579 349869031 /nfs/dbraw/zinc/86/90/31/349869031.db2.gz QEJFAFTVFZEUJV-HNNXBMFYSA-N 2 2 296.411 1.291 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000598597055 343841028 /nfs/dbraw/zinc/84/10/28/343841028.db2.gz UXCPMPOGECKDTP-OLZOCXBDSA-N 2 2 276.384 1.890 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000598597055 343841029 /nfs/dbraw/zinc/84/10/29/343841029.db2.gz UXCPMPOGECKDTP-OLZOCXBDSA-N 2 2 276.384 1.890 20 30 CDEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C[N@@H+]1C1CC1 ZINC000598723389 343884788 /nfs/dbraw/zinc/88/47/88/343884788.db2.gz GQWZKELZAYPYIL-MBNYWOFBSA-N 2 2 265.401 1.502 20 30 CDEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C[N@H+]1C1CC1 ZINC000598723389 343884790 /nfs/dbraw/zinc/88/47/90/343884790.db2.gz GQWZKELZAYPYIL-MBNYWOFBSA-N 2 2 265.401 1.502 20 30 CDEDLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000599084323 343958097 /nfs/dbraw/zinc/95/80/97/343958097.db2.gz ANNPACARTPTVFB-IUODEOHRSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000599084323 343958098 /nfs/dbraw/zinc/95/80/98/343958098.db2.gz ANNPACARTPTVFB-IUODEOHRSA-N 2 2 259.353 1.275 20 30 CDEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000399322378 345860304 /nfs/dbraw/zinc/86/03/04/345860304.db2.gz KEXDOLRZEAKFGZ-AWEZNQCLSA-N 2 2 253.390 1.315 20 30 CDEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000399322378 345860305 /nfs/dbraw/zinc/86/03/05/345860305.db2.gz KEXDOLRZEAKFGZ-AWEZNQCLSA-N 2 2 253.390 1.315 20 30 CDEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CC1)c1ccc(F)cc1 ZINC000264101577 362967339 /nfs/dbraw/zinc/96/73/39/362967339.db2.gz OFJXYKKTUIBBSY-CYBMUJFWSA-N 2 2 264.348 1.495 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000266568788 359342788 /nfs/dbraw/zinc/34/27/88/359342788.db2.gz BYBJYPDOHCVKPG-MRXNPFEDSA-N 2 2 293.455 1.851 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000266568788 359342792 /nfs/dbraw/zinc/34/27/92/359342792.db2.gz BYBJYPDOHCVKPG-MRXNPFEDSA-N 2 2 293.455 1.851 20 30 CDEDLP CN(CCC#N)C(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000131779520 361144759 /nfs/dbraw/zinc/14/47/59/361144759.db2.gz SAFSDTVKEQTHCO-UHFFFAOYSA-N 2 2 289.383 1.282 20 30 CDEDLP C=CC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690215 361430685 /nfs/dbraw/zinc/43/06/85/361430685.db2.gz BZDQTMXXFLZWTC-CYBMUJFWSA-N 2 2 260.385 1.550 20 30 CDEDLP C=CC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690215 361430689 /nfs/dbraw/zinc/43/06/89/361430689.db2.gz BZDQTMXXFLZWTC-CYBMUJFWSA-N 2 2 260.385 1.550 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccccc3)CC2)CC1 ZINC000490912782 364488531 /nfs/dbraw/zinc/48/85/31/364488531.db2.gz AYVVJWVSDDFCGM-UHFFFAOYSA-N 2 2 297.402 1.043 20 30 CDEDLP CC(C)[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCOCC1 ZINC000170910169 365161385 /nfs/dbraw/zinc/16/13/85/365161385.db2.gz HQKISIGIAWCBGC-ZDUSSCGKSA-N 2 2 291.399 1.165 20 30 CDEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000572992608 371372654 /nfs/dbraw/zinc/37/26/54/371372654.db2.gz VEGBHIAVUGOKQC-CQSZACIVSA-N 2 2 260.385 1.894 20 30 CDEDLP COC(=O)CCC[NH+]1CCC([NH2+]CCCCC#N)CC1 ZINC000342481978 374247179 /nfs/dbraw/zinc/24/71/79/374247179.db2.gz HYJJRTFXAGXOMB-UHFFFAOYSA-N 2 2 281.400 1.687 20 30 CDEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000067122352 374391739 /nfs/dbraw/zinc/39/17/39/374391739.db2.gz OAFDTRISYMEZIB-QGZVFWFLSA-N 2 2 287.407 1.741 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000128449277 375129396 /nfs/dbraw/zinc/12/93/96/375129396.db2.gz KXVFHAVQOIFWHG-GOEBONIOSA-N 2 2 282.428 1.499 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000128449277 375129400 /nfs/dbraw/zinc/12/94/00/375129400.db2.gz KXVFHAVQOIFWHG-GOEBONIOSA-N 2 2 282.428 1.499 20 30 CDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246393465 376654868 /nfs/dbraw/zinc/65/48/68/376654868.db2.gz PIFJPURWSUSCPT-CABCVRRESA-N 2 2 281.444 1.683 20 30 CDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246393465 376654870 /nfs/dbraw/zinc/65/48/70/376654870.db2.gz PIFJPURWSUSCPT-CABCVRRESA-N 2 2 281.444 1.683 20 30 CDEDLP CN(C)C(=[NH+]C[C@@H](c1ccco1)[NH+](C)C)N(C)C ZINC000104154360 390484803 /nfs/dbraw/zinc/48/48/03/390484803.db2.gz GUHODWILYROHPE-NSHDSACASA-N 2 2 252.362 1.362 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267282496 391191183 /nfs/dbraw/zinc/19/11/83/391191183.db2.gz HCDQKGPYIJNLPM-UHFFFAOYSA-N 2 2 278.375 1.738 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267282496 391191185 /nfs/dbraw/zinc/19/11/85/391191185.db2.gz HCDQKGPYIJNLPM-UHFFFAOYSA-N 2 2 278.375 1.738 20 30 CDEDLP C=CCCCC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000648437343 391320415 /nfs/dbraw/zinc/32/04/15/391320415.db2.gz WFLDXRNWZJIQBK-AWEZNQCLSA-N 2 2 267.417 1.485 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788610 391471472 /nfs/dbraw/zinc/47/14/72/391471472.db2.gz NCMPAKIOTPFTAZ-OFQRWUPVSA-N 3 2 263.429 1.615 20 30 CDEDLP C[C@@H]1[C@H](C)N(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1C ZINC000329727556 391760741 /nfs/dbraw/zinc/76/07/41/391760741.db2.gz CLCNSZTTYJUSNF-NEPJUHHUSA-N 2 2 287.367 1.904 20 30 CDEDLP C[C@@H]1[C@H](C)N(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1C ZINC000329727556 391760745 /nfs/dbraw/zinc/76/07/45/391760745.db2.gz CLCNSZTTYJUSNF-NEPJUHHUSA-N 2 2 287.367 1.904 20 30 CDEDLP C=CCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000649393486 392169416 /nfs/dbraw/zinc/16/94/16/392169416.db2.gz WQOVNLXYEFHQFN-HNNXBMFYSA-N 2 2 279.428 1.757 20 30 CDEDLP C=CCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000649393486 392169417 /nfs/dbraw/zinc/16/94/17/392169417.db2.gz WQOVNLXYEFHQFN-HNNXBMFYSA-N 2 2 279.428 1.757 20 30 CDEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285474544 196296490 /nfs/dbraw/zinc/29/64/90/196296490.db2.gz BCOKZXYJDDMGBA-CQSZACIVSA-N 2 2 291.395 1.171 20 30 CDEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285474544 196296491 /nfs/dbraw/zinc/29/64/91/196296491.db2.gz BCOKZXYJDDMGBA-CQSZACIVSA-N 2 2 291.395 1.171 20 30 CDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285474544 196296493 /nfs/dbraw/zinc/29/64/93/196296493.db2.gz BCOKZXYJDDMGBA-CQSZACIVSA-N 2 2 291.395 1.171 20 30 CDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285474544 196296495 /nfs/dbraw/zinc/29/64/95/196296495.db2.gz BCOKZXYJDDMGBA-CQSZACIVSA-N 2 2 291.395 1.171 20 30 CDEDLP C[NH+]=C(NC[C@@H](c1cccs1)[NH+](C)C)NC(C)C ZINC000072594153 260276898 /nfs/dbraw/zinc/27/68/98/260276898.db2.gz FXOIKKXKKRIGQK-NSHDSACASA-N 2 2 268.430 1.924 20 30 CDEDLP C=CCOc1ccc(C[NH2+][C@H](C)C[NH3+])cc1OC ZINC000414931706 263137287 /nfs/dbraw/zinc/13/72/87/263137287.db2.gz QTHLAAIUWTWOTC-LLVKDONJSA-N 2 2 250.342 1.697 20 30 CDEDLP C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)C(C)(C)C[NH+](C)C ZINC000330707858 264020305 /nfs/dbraw/zinc/02/03/05/264020305.db2.gz QFAADFZTMAURQE-GFCCVEGCSA-N 2 2 295.431 1.742 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000331335339 264193792 /nfs/dbraw/zinc/19/37/92/264193792.db2.gz ULNBTYIBRXGYMS-RWMBFGLXSA-N 2 2 298.431 1.230 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000331335339 264193794 /nfs/dbraw/zinc/19/37/94/264193794.db2.gz ULNBTYIBRXGYMS-RWMBFGLXSA-N 2 2 298.431 1.230 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000331335339 264193796 /nfs/dbraw/zinc/19/37/96/264193796.db2.gz ULNBTYIBRXGYMS-RWMBFGLXSA-N 2 2 298.431 1.230 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000331335339 264193799 /nfs/dbraw/zinc/19/37/99/264193799.db2.gz ULNBTYIBRXGYMS-RWMBFGLXSA-N 2 2 298.431 1.230 20 30 CDEDLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424148020 330294905 /nfs/dbraw/zinc/29/49/05/330294905.db2.gz SRYCVDUUSDGFLH-LBPRGKRZSA-N 2 2 277.372 1.176 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000491071560 332146680 /nfs/dbraw/zinc/14/66/80/332146680.db2.gz LMTRIOFSIFSARH-DOTOQJQBSA-N 2 2 299.418 1.379 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000491071560 332146681 /nfs/dbraw/zinc/14/66/81/332146681.db2.gz LMTRIOFSIFSARH-DOTOQJQBSA-N 2 2 299.418 1.379 20 30 CDEDLP C=CC[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942436 1160007657 /nfs/dbraw/zinc/00/76/57/1160007657.db2.gz OYOQUTPVUYFAND-UHFFFAOYSA-N 2 2 290.411 1.415 20 30 CDEDLP C=CCCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001113385046 1162165216 /nfs/dbraw/zinc/16/52/16/1162165216.db2.gz WXNAFVPLPWDLNZ-UHFFFAOYSA-N 2 2 262.357 1.063 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000725891348 574457471 /nfs/dbraw/zinc/45/74/71/574457471.db2.gz XOSGTGDSECOCAR-OWCLPIDISA-N 2 2 291.439 1.415 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000725891348 574457472 /nfs/dbraw/zinc/45/74/72/574457472.db2.gz XOSGTGDSECOCAR-OWCLPIDISA-N 2 2 291.439 1.415 20 30 CDEDLP C=CCn1nnn(C[N@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000728905867 574672883 /nfs/dbraw/zinc/67/28/83/574672883.db2.gz ZOWIRSHPIVKKPW-UHFFFAOYSA-N 2 2 296.444 1.226 20 30 CDEDLP C=CCn1nnn(C[N@@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000728905867 574672885 /nfs/dbraw/zinc/67/28/85/574672885.db2.gz ZOWIRSHPIVKKPW-UHFFFAOYSA-N 2 2 296.444 1.226 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000957424314 612991071 /nfs/dbraw/zinc/99/10/71/612991071.db2.gz NWWOPQVXBXBFTA-MRXNPFEDSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000957424314 612991073 /nfs/dbraw/zinc/99/10/73/612991073.db2.gz NWWOPQVXBXBFTA-MRXNPFEDSA-N 2 2 291.439 1.417 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000970128151 613384715 /nfs/dbraw/zinc/38/47/15/613384715.db2.gz CPXIPIVEJSCMBM-QWHCGFSZSA-N 2 2 296.802 1.777 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnc(Cl)c1F ZINC000894863584 619107579 /nfs/dbraw/zinc/10/75/79/619107579.db2.gz KAXJXGCJOHPKIV-UHFFFAOYSA-N 2 2 269.751 1.919 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnc(Cl)c1F ZINC000894863584 619107580 /nfs/dbraw/zinc/10/75/80/619107580.db2.gz KAXJXGCJOHPKIV-UHFFFAOYSA-N 2 2 269.751 1.919 20 30 CDEDLP N#Cc1ccc([C@H](O)C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000045106966 630573021 /nfs/dbraw/zinc/57/30/21/630573021.db2.gz OEHGGVOHWWXOQG-MRXNPFEDSA-N 2 2 284.363 1.858 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130164940 1162560133 /nfs/dbraw/zinc/56/01/33/1162560133.db2.gz IXECWRZDSXCVDX-UHFFFAOYSA-N 2 2 278.400 1.599 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001026366842 1159599252 /nfs/dbraw/zinc/59/92/52/1159599252.db2.gz QZAITHHMOIFEIK-AEGPPILISA-N 2 2 288.395 1.355 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132091361 1163168415 /nfs/dbraw/zinc/16/84/15/1163168415.db2.gz WDNGSRVUPKBAEN-ZFWWWQNUSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132091361 1163168418 /nfs/dbraw/zinc/16/84/18/1163168418.db2.gz WDNGSRVUPKBAEN-ZFWWWQNUSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132091361 1163168425 /nfs/dbraw/zinc/16/84/25/1163168425.db2.gz WDNGSRVUPKBAEN-ZFWWWQNUSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132091361 1163168429 /nfs/dbraw/zinc/16/84/29/1163168429.db2.gz WDNGSRVUPKBAEN-ZFWWWQNUSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CN1CC[C@@]2(CCC[N@H+]2CCn2cc[nH+]c2)C1=O ZINC001273785082 1164419724 /nfs/dbraw/zinc/41/97/24/1164419724.db2.gz NVWRKCNGBSINMZ-INIZCTEOSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001661369339 1172379107 /nfs/dbraw/zinc/37/91/07/1172379107.db2.gz CTUKHLDEGIDCJY-OCCSQVGLSA-N 2 2 290.411 1.806 20 30 CDEDLP C#CC[NH2+]C[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001753634138 1185278703 /nfs/dbraw/zinc/27/87/03/1185278703.db2.gz LNWTZHMNLUAHJI-CYBMUJFWSA-N 2 2 298.390 1.160 20 30 CDEDLP C#CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753705197 1185308794 /nfs/dbraw/zinc/30/87/94/1185308794.db2.gz SWXAMNOEMSGAMF-AWEZNQCLSA-N 2 2 296.374 1.556 20 30 CDEDLP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001753741950 1185324968 /nfs/dbraw/zinc/32/49/68/1185324968.db2.gz IYZYUNFRVFPHEF-AWEZNQCLSA-N 2 2 276.384 1.096 20 30 CDEDLP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001754020477 1185429218 /nfs/dbraw/zinc/42/92/18/1185429218.db2.gz PKTRDXQOBJQDMF-SNVBAGLBSA-N 2 2 270.764 1.189 20 30 CDEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135557940 1164155518 /nfs/dbraw/zinc/15/55/18/1164155518.db2.gz VNXMKDPFRNPMOG-QWHCGFSZSA-N 2 2 278.400 1.791 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039047354 796465490 /nfs/dbraw/zinc/46/54/90/796465490.db2.gz DTGVKBVKTHQARJ-MRXNPFEDSA-N 2 2 299.418 1.576 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039047354 796465498 /nfs/dbraw/zinc/46/54/98/796465498.db2.gz DTGVKBVKTHQARJ-MRXNPFEDSA-N 2 2 299.418 1.576 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662242 796860775 /nfs/dbraw/zinc/86/07/75/796860775.db2.gz PLFNEJDMAAPGSZ-OLZOCXBDSA-N 2 2 285.819 1.223 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662242 796860776 /nfs/dbraw/zinc/86/07/76/796860776.db2.gz PLFNEJDMAAPGSZ-OLZOCXBDSA-N 2 2 285.819 1.223 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033662242 796860777 /nfs/dbraw/zinc/86/07/77/796860777.db2.gz PLFNEJDMAAPGSZ-OLZOCXBDSA-N 2 2 285.819 1.223 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033662242 796860779 /nfs/dbraw/zinc/86/07/79/796860779.db2.gz PLFNEJDMAAPGSZ-OLZOCXBDSA-N 2 2 285.819 1.223 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001019655508 796937399 /nfs/dbraw/zinc/93/73/99/796937399.db2.gz SCCPNAXYNGGJME-NSHDSACASA-N 2 2 262.357 1.064 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404520 797062439 /nfs/dbraw/zinc/06/24/39/797062439.db2.gz LGGQBCUCIDYJRU-GJZGRUSLSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404520 797062447 /nfs/dbraw/zinc/06/24/47/797062447.db2.gz LGGQBCUCIDYJRU-GJZGRUSLSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052822542 797574945 /nfs/dbraw/zinc/57/49/45/797574945.db2.gz LXCGMJCQPCNTQS-LBPRGKRZSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052822542 797574965 /nfs/dbraw/zinc/57/49/65/797574965.db2.gz LXCGMJCQPCNTQS-LBPRGKRZSA-N 2 2 262.357 1.109 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccnc1Br ZINC000883131347 797881395 /nfs/dbraw/zinc/88/13/95/797881395.db2.gz XHGKMOGOQRMQMS-UHFFFAOYSA-N 2 2 296.212 1.889 20 30 CDEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001030553596 797879616 /nfs/dbraw/zinc/87/96/16/797879616.db2.gz AJHMUSQQRRXFAZ-CYBMUJFWSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccnc1Br ZINC000883131347 797881394 /nfs/dbraw/zinc/88/13/94/797881394.db2.gz XHGKMOGOQRMQMS-UHFFFAOYSA-N 2 2 296.212 1.889 20 30 CDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104273139 895169135 /nfs/dbraw/zinc/16/91/35/895169135.db2.gz NIGGFTVRMFHMAV-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104273139 895169143 /nfs/dbraw/zinc/16/91/43/895169143.db2.gz NIGGFTVRMFHMAV-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001022506063 896530580 /nfs/dbraw/zinc/53/05/80/896530580.db2.gz TUYWWEYHYUSYIN-GASCZTMLSA-N 2 2 294.358 1.356 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC ZINC001024486662 898081360 /nfs/dbraw/zinc/08/13/60/898081360.db2.gz FHWMFAKZFSPNRT-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC ZINC001024486662 898081374 /nfs/dbraw/zinc/08/13/74/898081374.db2.gz FHWMFAKZFSPNRT-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC ZINC001024486662 898081388 /nfs/dbraw/zinc/08/13/88/898081388.db2.gz FHWMFAKZFSPNRT-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC ZINC001024486662 898081405 /nfs/dbraw/zinc/08/14/05/898081405.db2.gz FHWMFAKZFSPNRT-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031666514 914876611 /nfs/dbraw/zinc/87/66/11/914876611.db2.gz OTFWNLIRRWDVGI-AWEZNQCLSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031666514 914876626 /nfs/dbraw/zinc/87/66/26/914876626.db2.gz OTFWNLIRRWDVGI-AWEZNQCLSA-N 2 2 299.846 1.660 20 30 CDEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C[C@H](C)[NH3+])C2)C1 ZINC001205000565 905922337 /nfs/dbraw/zinc/92/23/37/905922337.db2.gz GRTSVCUOIQZCAX-ZFWWWQNUSA-N 2 2 281.400 1.444 20 30 CDEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C[C@H](C)[NH3+])C2)C1 ZINC001205000565 905922345 /nfs/dbraw/zinc/92/23/45/905922345.db2.gz GRTSVCUOIQZCAX-ZFWWWQNUSA-N 2 2 281.400 1.444 20 30 CDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088566772 907975709 /nfs/dbraw/zinc/97/57/09/907975709.db2.gz DAJAIQNGLPQESO-HIFRSBDPSA-N 2 2 296.374 1.469 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088566772 907975715 /nfs/dbraw/zinc/97/57/15/907975715.db2.gz DAJAIQNGLPQESO-HIFRSBDPSA-N 2 2 296.374 1.469 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001505954511 908468431 /nfs/dbraw/zinc/46/84/31/908468431.db2.gz BOCFUNJETCVRQU-ZDUSSCGKSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001505954511 908468442 /nfs/dbraw/zinc/46/84/42/908468442.db2.gz BOCFUNJETCVRQU-ZDUSSCGKSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989675404 908964392 /nfs/dbraw/zinc/96/43/92/908964392.db2.gz HHLSPDAGXCLVHM-RYUDHWBXSA-N 2 2 296.802 1.294 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000989727838 908987215 /nfs/dbraw/zinc/98/72/15/908987215.db2.gz WESZDQIMDLMPFR-CMPLNLGQSA-N 2 2 296.802 1.592 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875180 921692261 /nfs/dbraw/zinc/69/22/61/921692261.db2.gz VZCAASUBIOWUKY-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875180 921692265 /nfs/dbraw/zinc/69/22/65/921692265.db2.gz VZCAASUBIOWUKY-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030527507 911978662 /nfs/dbraw/zinc/97/86/62/911978662.db2.gz LOJXBLOHZXYUOE-UHFFFAOYSA-N 2 2 270.336 1.553 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001031712460 915015453 /nfs/dbraw/zinc/01/54/53/915015453.db2.gz ZPLUCFJSUKFSCR-CQSZACIVSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001031712460 915015471 /nfs/dbraw/zinc/01/54/71/915015471.db2.gz ZPLUCFJSUKFSCR-CQSZACIVSA-N 2 2 299.846 1.661 20 30 CDEDLP C#CC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179176018 915764200 /nfs/dbraw/zinc/76/42/00/915764200.db2.gz HMQLSTHQHFOPCE-UHFFFAOYSA-N 2 2 276.384 1.173 20 30 CDEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000157296 936526825 /nfs/dbraw/zinc/52/68/25/936526825.db2.gz GXCBMAFIRQDNNL-STQMWFEESA-N 2 2 286.379 1.043 20 30 CDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001453978 936552483 /nfs/dbraw/zinc/55/24/83/936552483.db2.gz WONXPFBYVKYNBJ-AWEZNQCLSA-N 2 2 297.830 1.439 20 30 CDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001001453978 936552485 /nfs/dbraw/zinc/55/24/85/936552485.db2.gz WONXPFBYVKYNBJ-AWEZNQCLSA-N 2 2 297.830 1.439 20 30 CDEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001453978 936552487 /nfs/dbraw/zinc/55/24/87/936552487.db2.gz 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C=CCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184721551 919242656 /nfs/dbraw/zinc/24/26/56/919242656.db2.gz XLQXXULMWYBNEJ-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185217940 919481506 /nfs/dbraw/zinc/48/15/06/919481506.db2.gz XQVHAIMOXZHOBT-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001032675146 919702598 /nfs/dbraw/zinc/70/25/98/919702598.db2.gz JKHUMVFFPGDEAK-SNPRPXQTSA-N 2 2 288.395 1.450 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001032675146 919702604 /nfs/dbraw/zinc/70/26/04/919702604.db2.gz JKHUMVFFPGDEAK-SNPRPXQTSA-N 2 2 288.395 1.450 20 30 CDEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999384370 919746434 /nfs/dbraw/zinc/74/64/34/919746434.db2.gz ICVFVOUQMILZAG-BPCQOVAHSA-N 2 2 286.379 1.042 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(C#N)c[nH]c3c2)CC1 ZINC001168736445 921881294 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CDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(CO)cc(C)[nH+]2)C1 ZINC000884611389 930605748 /nfs/dbraw/zinc/60/57/48/930605748.db2.gz KXQBLMANZGLYJS-CQSZACIVSA-N 2 2 259.353 1.392 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(CO)cc(C)[nH+]2)C1 ZINC000884611389 930605760 /nfs/dbraw/zinc/60/57/60/930605760.db2.gz KXQBLMANZGLYJS-CQSZACIVSA-N 2 2 259.353 1.392 20 30 CDEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000844172718 931551362 /nfs/dbraw/zinc/55/13/62/931551362.db2.gz WKPJVEXHPKCUFP-STQMWFEESA-N 2 2 291.399 1.435 20 30 CDEDLP CC[N@H+](Cc1ccc(C#N)cn1)C1CC[NH+](C)CC1 ZINC001144160854 931675755 /nfs/dbraw/zinc/67/57/55/931675755.db2.gz VDDRERSQPOEHAL-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP CC[N@@H+](Cc1ccc(C#N)cn1)C1CC[NH+](C)CC1 ZINC001144160854 931675756 /nfs/dbraw/zinc/67/57/56/931675756.db2.gz VDDRERSQPOEHAL-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP C#CC[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001091140527 931852146 /nfs/dbraw/zinc/85/21/46/931852146.db2.gz 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ZINC001097249278 936286883 /nfs/dbraw/zinc/28/68/83/936286883.db2.gz RZXAFUHJCIHQRL-WCVJEAGWSA-N 2 2 289.423 1.214 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C ZINC001097249278 936286885 /nfs/dbraw/zinc/28/68/85/936286885.db2.gz RZXAFUHJCIHQRL-WCVJEAGWSA-N 2 2 289.423 1.214 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C(C)C ZINC001097249278 936286887 /nfs/dbraw/zinc/28/68/87/936286887.db2.gz RZXAFUHJCIHQRL-WCVJEAGWSA-N 2 2 289.423 1.214 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C(C)C ZINC001097249278 936286889 /nfs/dbraw/zinc/28/68/89/936286889.db2.gz RZXAFUHJCIHQRL-WCVJEAGWSA-N 2 2 289.423 1.214 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC ZINC001097248671 936286955 /nfs/dbraw/zinc/28/69/55/936286955.db2.gz FOXZWVVQPLSADF-WCVJEAGWSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC ZINC001097248671 936286958 /nfs/dbraw/zinc/28/69/58/936286958.db2.gz FOXZWVVQPLSADF-WCVJEAGWSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC ZINC001097248671 936286961 /nfs/dbraw/zinc/28/69/61/936286961.db2.gz FOXZWVVQPLSADF-WCVJEAGWSA-N 2 2 289.423 1.216 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC ZINC001097248671 936286962 /nfs/dbraw/zinc/28/69/62/936286962.db2.gz FOXZWVVQPLSADF-WCVJEAGWSA-N 2 2 289.423 1.216 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919139 940111503 /nfs/dbraw/zinc/11/15/03/940111503.db2.gz JGKZNTMMOUKWMJ-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919139 940111506 /nfs/dbraw/zinc/11/15/06/940111506.db2.gz JGKZNTMMOUKWMJ-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208550919 940339263 /nfs/dbraw/zinc/33/92/63/940339263.db2.gz FQVJUNDDRHTZKK-CQSZACIVSA-N 2 2 296.374 1.552 20 30 CDEDLP C=CCN(CC[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1)C(=O)OCC ZINC001209024003 940425895 /nfs/dbraw/zinc/42/58/95/940425895.db2.gz OWZNLVDRNPIGPD-GJZGRUSLSA-N 2 2 295.427 1.514 20 30 CDEDLP C=CCCC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001209161168 940441963 /nfs/dbraw/zinc/44/19/63/940441963.db2.gz IIFBRXBSKPABQY-UHFFFAOYSA-N 2 2 286.383 1.695 20 30 CDEDLP C=CCCC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001209161168 940441964 /nfs/dbraw/zinc/44/19/64/940441964.db2.gz IIFBRXBSKPABQY-UHFFFAOYSA-N 2 2 286.383 1.695 20 30 CDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210052791 940659704 /nfs/dbraw/zinc/65/97/04/940659704.db2.gz QISHKNCDRCJMEG-KGLIPLIRSA-N 2 2 288.395 1.192 20 30 CDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210052791 940659707 /nfs/dbraw/zinc/65/97/07/940659707.db2.gz QISHKNCDRCJMEG-KGLIPLIRSA-N 2 2 288.395 1.192 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302468 940681312 /nfs/dbraw/zinc/68/13/12/940681312.db2.gz CGNFRRATDWQVME-KGLIPLIRSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210847742 940717156 /nfs/dbraw/zinc/71/71/56/940717156.db2.gz RIHHVRBZEBQGQM-CQSZACIVSA-N 2 2 290.411 1.807 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CCCCCCC[NH3+])CC1 ZINC000403990310 940941300 /nfs/dbraw/zinc/94/13/00/940941300.db2.gz QBEDLLOOLOOPSI-UHFFFAOYSA-N 2 2 267.417 1.616 20 30 CDEDLP C#CCOc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222497759 941603126 /nfs/dbraw/zinc/60/31/26/941603126.db2.gz ZEAZJUANSIXHAS-ROUUACIJSA-N 2 2 299.418 1.224 20 30 CDEDLP C#CCOc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222497759 941603128 /nfs/dbraw/zinc/60/31/28/941603128.db2.gz ZEAZJUANSIXHAS-ROUUACIJSA-N 2 2 299.418 1.224 20 30 CDEDLP CC#CC[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223043436 941653266 /nfs/dbraw/zinc/65/32/66/941653266.db2.gz PJEOBCLIRLWUNR-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976262 943705589 /nfs/dbraw/zinc/70/55/89/943705589.db2.gz DFLPRBQYVRBPFG-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976262 943705591 /nfs/dbraw/zinc/70/55/91/943705591.db2.gz DFLPRBQYVRBPFG-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C#C[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702543659 944648896 /nfs/dbraw/zinc/64/88/96/944648896.db2.gz DHYNCEYSPDXHMN-GDBMZVCRSA-N 2 2 258.365 1.235 20 30 CDEDLP C#C[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702543659 944648903 /nfs/dbraw/zinc/64/89/03/944648903.db2.gz DHYNCEYSPDXHMN-GDBMZVCRSA-N 2 2 258.365 1.235 20 30 CDEDLP CCCCCCCCCC[C@H](O)C[NH2+]CC1(O)C[NH2+]C1 ZINC001245989285 947883828 /nfs/dbraw/zinc/88/38/28/947883828.db2.gz FPZJBMLPWDQTBA-HNNXBMFYSA-N 2 2 286.460 1.802 20 30 CDEDLP C=CCCCCCC[C@@H](O)C[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246017209 947895151 /nfs/dbraw/zinc/89/51/51/947895151.db2.gz XJKPIFRFCYXVNS-LSDHHAIUSA-N 2 2 269.433 1.025 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001256205375 948235810 /nfs/dbraw/zinc/23/58/10/948235810.db2.gz YQOKWJAPZGDYAB-QGZVFWFLSA-N 2 2 291.439 1.581 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001256205375 948235818 /nfs/dbraw/zinc/23/58/18/948235818.db2.gz YQOKWJAPZGDYAB-QGZVFWFLSA-N 2 2 291.439 1.581 20 30 CDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256207270 948237703 /nfs/dbraw/zinc/23/77/03/948237703.db2.gz FQEVFMDFZIYCSV-IRXDYDNUSA-N 2 2 294.439 1.907 20 30 CDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256207270 948237713 /nfs/dbraw/zinc/23/77/13/948237713.db2.gz FQEVFMDFZIYCSV-IRXDYDNUSA-N 2 2 294.439 1.907 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C2)C1=O ZINC001246704251 948411090 /nfs/dbraw/zinc/41/10/90/948411090.db2.gz PXFWSGCXEFTQIM-UXLLHSPISA-N 2 2 291.439 1.627 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C2)C1=O ZINC001246704251 948411092 /nfs/dbraw/zinc/41/10/92/948411092.db2.gz PXFWSGCXEFTQIM-UXLLHSPISA-N 2 2 291.439 1.627 20 30 CDEDLP CC[N@H+](CCC[NH+](C)C)Cc1cnn2ccc(C#N)cc12 ZINC001249119396 949392456 /nfs/dbraw/zinc/39/24/56/949392456.db2.gz VONYJOHZXVCFML-UHFFFAOYSA-N 2 2 285.395 1.980 20 30 CDEDLP CC[N@@H+](CCC[NH+](C)C)Cc1cnn2ccc(C#N)cc12 ZINC001249119396 949392479 /nfs/dbraw/zinc/39/24/79/949392479.db2.gz VONYJOHZXVCFML-UHFFFAOYSA-N 2 2 285.395 1.980 20 30 CDEDLP N#Cc1ccn2ncc(C[N@H+]3CCc4[nH+]ccn4CC3)c2c1 ZINC001249114166 949393291 /nfs/dbraw/zinc/39/32/91/949393291.db2.gz WLRWDSVVDVFSQM-UHFFFAOYSA-N 2 2 292.346 1.461 20 30 CDEDLP N#Cc1ccn2ncc(C[N@@H+]3CCc4[nH+]ccn4CC3)c2c1 ZINC001249114166 949393311 /nfs/dbraw/zinc/39/33/11/949393311.db2.gz WLRWDSVVDVFSQM-UHFFFAOYSA-N 2 2 292.346 1.461 20 30 CDEDLP C=CCCCCCC[C@@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001253257201 951827634 /nfs/dbraw/zinc/82/76/34/951827634.db2.gz OPGMYQVONFVVTE-MRXNPFEDSA-N 2 2 298.471 1.920 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001329269316 955791126 /nfs/dbraw/zinc/79/11/26/955791126.db2.gz GPGLHXYVCUQNBO-GFCCVEGCSA-N 2 2 275.356 1.137 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001422202541 955842136 /nfs/dbraw/zinc/84/21/36/955842136.db2.gz WXOQVHXXCWTVNM-LBPRGKRZSA-N 2 2 275.824 1.469 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001422202541 955842148 /nfs/dbraw/zinc/84/21/48/955842148.db2.gz WXOQVHXXCWTVNM-LBPRGKRZSA-N 2 2 275.824 1.469 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001318434403 958102063 /nfs/dbraw/zinc/10/20/63/958102063.db2.gz CGTYXYWLBPAVNY-MRXNPFEDSA-N 2 2 291.439 1.418 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001318434403 958102073 /nfs/dbraw/zinc/10/20/73/958102073.db2.gz CGTYXYWLBPAVNY-MRXNPFEDSA-N 2 2 291.439 1.418 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001369011936 959401088 /nfs/dbraw/zinc/40/10/88/959401088.db2.gz XUERTIJZVDAHJW-LLVKDONJSA-N 2 2 284.791 1.381 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001369011936 959401079 /nfs/dbraw/zinc/40/10/79/959401079.db2.gz XUERTIJZVDAHJW-LLVKDONJSA-N 2 2 284.791 1.381 20 30 CDEDLP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001434536961 961663729 /nfs/dbraw/zinc/66/37/29/961663729.db2.gz FEQPRJJSSPQQRD-CIDNJEQPSA-N 2 2 278.444 1.683 20 30 CDEDLP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001434536961 961663741 /nfs/dbraw/zinc/66/37/41/961663741.db2.gz FEQPRJJSSPQQRD-CIDNJEQPSA-N 2 2 278.444 1.683 20 30 CDEDLP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001434536964 961664873 /nfs/dbraw/zinc/66/48/73/961664873.db2.gz FEQPRJJSSPQQRD-JWMHWRSXSA-N 2 2 278.444 1.683 20 30 CDEDLP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001434536964 961664886 /nfs/dbraw/zinc/66/48/86/961664886.db2.gz FEQPRJJSSPQQRD-JWMHWRSXSA-N 2 2 278.444 1.683 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001448329207 967075780 /nfs/dbraw/zinc/07/57/80/967075780.db2.gz DGIVRPNJPOQSMG-LBPRGKRZSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001448329207 967075789 /nfs/dbraw/zinc/07/57/89/967075789.db2.gz DGIVRPNJPOQSMG-LBPRGKRZSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001404248761 977380168 /nfs/dbraw/zinc/38/01/68/977380168.db2.gz ZOJTXRKNAUQLLM-UHFFFAOYSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001404248761 977380174 /nfs/dbraw/zinc/38/01/74/977380174.db2.gz ZOJTXRKNAUQLLM-UHFFFAOYSA-N 2 2 299.846 1.804 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000591570932 342637131 /nfs/dbraw/zinc/63/71/31/342637131.db2.gz CUTDANSMBAEGIF-DVOMOZLQSA-N 2 2 273.380 1.976 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508379 343080648 /nfs/dbraw/zinc/08/06/48/343080648.db2.gz WSYHINBERPOIAZ-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508379 343080651 /nfs/dbraw/zinc/08/06/51/343080651.db2.gz WSYHINBERPOIAZ-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595508379 343080654 /nfs/dbraw/zinc/08/06/54/343080654.db2.gz WSYHINBERPOIAZ-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595508379 343080657 /nfs/dbraw/zinc/08/06/57/343080657.db2.gz WSYHINBERPOIAZ-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP N#CCN1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000610813663 346444519 /nfs/dbraw/zinc/44/45/19/346444519.db2.gz OMCKNTFNMLQKHD-UHFFFAOYSA-N 2 2 299.422 1.628 20 30 CDEDLP CC#CC[C@H](CO)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000641768759 365835079 /nfs/dbraw/zinc/83/50/79/365835079.db2.gz HHWCCUCGJDPIJO-CYBMUJFWSA-N 2 2 257.337 1.507 20 30 CDEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)n1)C[NH+]1CCOCC1 ZINC000602549776 350123671 /nfs/dbraw/zinc/12/36/71/350123671.db2.gz DTPWQKOENSJGCO-ZDUSSCGKSA-N 2 2 274.368 1.011 20 30 CDEDLP C[NH+]=C(NC[C@H](c1ccc(F)cc1)[NH+](C)C)NC1CC1 ZINC000264096094 362965381 /nfs/dbraw/zinc/96/53/81/362965381.db2.gz XQGPFGCNXHCTNR-CQSZACIVSA-N 2 2 278.375 1.756 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492815747 366182384 /nfs/dbraw/zinc/18/23/84/366182384.db2.gz XVPDRTLARKVVAW-ARJAWSKDSA-N 2 2 260.341 1.190 20 30 CDEDLP CC(C)[NH+]1CCC(NC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329833020 538693389 /nfs/dbraw/zinc/69/33/89/538693389.db2.gz KNZKZAQZUNWAIV-UHFFFAOYSA-N 2 2 291.399 1.486 20 30 CDEDLP CC(C)(CCC#N)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665564 360301813 /nfs/dbraw/zinc/30/18/13/360301813.db2.gz AJWKMAXGYRJNFF-OAHLLOKOSA-N 2 2 279.428 1.970 20 30 CDEDLP CC(C)(CCC#N)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665564 360301819 /nfs/dbraw/zinc/30/18/19/360301819.db2.gz AJWKMAXGYRJNFF-OAHLLOKOSA-N 2 2 279.428 1.970 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000436242076 361487893 /nfs/dbraw/zinc/48/78/93/361487893.db2.gz MRHPQCLLJYLTLH-UHFFFAOYSA-N 2 2 261.369 1.830 20 30 CDEDLP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000580550958 363922037 /nfs/dbraw/zinc/92/20/37/363922037.db2.gz LHTZKTUEZIVBMO-KGLIPLIRSA-N 2 2 288.370 1.618 20 30 CDEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000358248912 373949616 /nfs/dbraw/zinc/94/96/16/373949616.db2.gz JNNPNRXODSNIHL-IAQYHMDHSA-N 2 2 277.343 1.415 20 30 CDEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000358248912 373949620 /nfs/dbraw/zinc/94/96/20/373949620.db2.gz JNNPNRXODSNIHL-IAQYHMDHSA-N 2 2 277.343 1.415 20 30 CDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000153898494 374160069 /nfs/dbraw/zinc/16/00/69/374160069.db2.gz ZPGLLIOIZYBMMO-CQSZACIVSA-N 2 2 273.380 1.950 20 30 CDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000153898494 374160074 /nfs/dbraw/zinc/16/00/74/374160074.db2.gz ZPGLLIOIZYBMMO-CQSZACIVSA-N 2 2 273.380 1.950 20 30 CDEDLP COC[C@]1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CCC[NH2+]1 ZINC000423412392 374381959 /nfs/dbraw/zinc/38/19/59/374381959.db2.gz HNQSUYOZYPTYIX-XJKSGUPXSA-N 2 2 273.380 1.977 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134874456 375663620 /nfs/dbraw/zinc/66/36/20/375663620.db2.gz IEQPLBRPJWFKFI-SQWLQELKSA-N 2 2 291.439 1.626 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134874456 375663625 /nfs/dbraw/zinc/66/36/25/375663625.db2.gz IEQPLBRPJWFKFI-SQWLQELKSA-N 2 2 291.439 1.626 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134874456 375663629 /nfs/dbraw/zinc/66/36/29/375663629.db2.gz IEQPLBRPJWFKFI-SQWLQELKSA-N 2 2 291.439 1.626 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134874456 375663636 /nfs/dbraw/zinc/66/36/36/375663636.db2.gz IEQPLBRPJWFKFI-SQWLQELKSA-N 2 2 291.439 1.626 20 30 CDEDLP N#CCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069802556 376738001 /nfs/dbraw/zinc/73/80/01/376738001.db2.gz NJMXSZHXMPUQHR-OAHLLOKOSA-N 2 2 265.401 1.724 20 30 CDEDLP N#CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069802556 376738007 /nfs/dbraw/zinc/73/80/07/376738007.db2.gz NJMXSZHXMPUQHR-OAHLLOKOSA-N 2 2 265.401 1.724 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247148139 377059378 /nfs/dbraw/zinc/05/93/78/377059378.db2.gz XKLYEBOIQRPNHQ-KGLIPLIRSA-N 2 2 280.416 1.021 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247148139 377059384 /nfs/dbraw/zinc/05/93/84/377059384.db2.gz XKLYEBOIQRPNHQ-KGLIPLIRSA-N 2 2 280.416 1.021 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247148139 377059389 /nfs/dbraw/zinc/05/93/89/377059389.db2.gz XKLYEBOIQRPNHQ-KGLIPLIRSA-N 2 2 280.416 1.021 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247148139 377059392 /nfs/dbraw/zinc/05/93/92/377059392.db2.gz XKLYEBOIQRPNHQ-KGLIPLIRSA-N 2 2 280.416 1.021 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000172936857 377791004 /nfs/dbraw/zinc/79/10/04/377791004.db2.gz WXQRDYYALYVDOX-QGZVFWFLSA-N 2 2 285.391 1.712 20 30 CDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000174409111 379474091 /nfs/dbraw/zinc/47/40/91/379474091.db2.gz HESCDYZQLMVIHZ-ZDUSSCGKSA-N 2 2 289.379 1.742 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000294991660 390970159 /nfs/dbraw/zinc/97/01/59/390970159.db2.gz LKVZLFXCMWJQJR-OAHLLOKOSA-N 2 2 285.391 1.639 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000294991660 390970160 /nfs/dbraw/zinc/97/01/60/390970160.db2.gz LKVZLFXCMWJQJR-OAHLLOKOSA-N 2 2 285.391 1.639 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339440270 391303199 /nfs/dbraw/zinc/30/31/99/391303199.db2.gz PNBKQOXSNKDOSU-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339440270 391303202 /nfs/dbraw/zinc/30/32/02/391303202.db2.gz PNBKQOXSNKDOSU-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339440270 391303206 /nfs/dbraw/zinc/30/32/06/391303206.db2.gz PNBKQOXSNKDOSU-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339440270 391303210 /nfs/dbraw/zinc/30/32/10/391303210.db2.gz PNBKQOXSNKDOSU-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP C=CC[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000353007800 391320737 /nfs/dbraw/zinc/32/07/37/391320737.db2.gz LHPVPBSEVFEPRV-UHFFFAOYSA-N 2 2 256.390 1.232 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cn1 ZINC000574018823 391688848 /nfs/dbraw/zinc/68/88/48/391688848.db2.gz MGQPHJZNKSNHNI-UHFFFAOYSA-N 2 2 255.325 1.672 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cn1 ZINC000574018823 391688852 /nfs/dbraw/zinc/68/88/52/391688852.db2.gz MGQPHJZNKSNHNI-UHFFFAOYSA-N 2 2 255.325 1.672 20 30 CDEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH+]1CCOCC1)C2 ZINC000329778466 391776732 /nfs/dbraw/zinc/77/67/32/391776732.db2.gz LEAPJTINHSUANS-ZDUSSCGKSA-N 2 2 292.383 1.043 20 30 CDEDLP CN1CC[NH+]=C1NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000262474491 391790888 /nfs/dbraw/zinc/79/08/88/391790888.db2.gz BUEQCOLGHNMDHH-CYBMUJFWSA-N 2 2 264.348 1.319 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(C#N)c(F)c1 ZINC000423555338 392963711 /nfs/dbraw/zinc/96/37/11/392963711.db2.gz HTPHYMAOWFNQRQ-MFKMUULPSA-N 2 2 263.316 1.336 20 30 CDEDLP C=CCOCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474866 413153344 /nfs/dbraw/zinc/15/33/44/413153344.db2.gz NWQOWRXSAKVZSW-OAHLLOKOSA-N 2 2 268.401 1.376 20 30 CDEDLP C=CCOCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474866 413153347 /nfs/dbraw/zinc/15/33/47/413153347.db2.gz NWQOWRXSAKVZSW-OAHLLOKOSA-N 2 2 268.401 1.376 20 30 CDEDLP C=CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000662631650 413226722 /nfs/dbraw/zinc/22/67/22/413226722.db2.gz WZIVLIDENCGGCW-STQMWFEESA-N 2 2 253.390 1.080 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285428118 196281308 /nfs/dbraw/zinc/28/13/08/196281308.db2.gz HHLSGKGHKGHOLG-XYPWUTKMSA-N 2 2 291.439 1.744 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285428118 196281309 /nfs/dbraw/zinc/28/13/09/196281309.db2.gz HHLSGKGHKGHOLG-XYPWUTKMSA-N 2 2 291.439 1.744 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285428118 196281311 /nfs/dbraw/zinc/28/13/11/196281311.db2.gz HHLSGKGHKGHOLG-XYPWUTKMSA-N 2 2 291.439 1.744 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285428118 196281312 /nfs/dbraw/zinc/28/13/12/196281312.db2.gz HHLSGKGHKGHOLG-XYPWUTKMSA-N 2 2 291.439 1.744 20 30 CDEDLP C=CC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000661385786 414047269 /nfs/dbraw/zinc/04/72/69/414047269.db2.gz POBJIVMMUZUIRK-HUUCEWRRSA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000661385786 414047279 /nfs/dbraw/zinc/04/72/79/414047279.db2.gz POBJIVMMUZUIRK-HUUCEWRRSA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000661385786 414047290 /nfs/dbraw/zinc/04/72/90/414047290.db2.gz POBJIVMMUZUIRK-HUUCEWRRSA-N 2 2 270.417 1.214 20 30 CDEDLP C=CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000661385786 414047295 /nfs/dbraw/zinc/04/72/95/414047295.db2.gz POBJIVMMUZUIRK-HUUCEWRRSA-N 2 2 270.417 1.214 20 30 CDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)nn1 ZINC000657294666 414131556 /nfs/dbraw/zinc/13/15/56/414131556.db2.gz URCHCBLNECIQKY-UHFFFAOYSA-N 2 2 277.416 1.817 20 30 CDEDLP C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000104154918 287321292 /nfs/dbraw/zinc/32/12/92/287321292.db2.gz LSKYQAUESQNQGF-CYBMUJFWSA-N 2 2 282.432 1.144 20 30 CDEDLP N#C[C@@H]1CCC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC000333302724 228196260 /nfs/dbraw/zinc/19/62/60/228196260.db2.gz QJPPRSGLTMGERL-KGLIPLIRSA-N 2 2 285.395 1.985 20 30 CDEDLP C#CCOc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000367687921 267108425 /nfs/dbraw/zinc/10/84/25/267108425.db2.gz RADUIAURJZVGLN-UHFFFAOYSA-N 2 2 270.376 1.979 20 30 CDEDLP C#CCOc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000367687921 267108427 /nfs/dbraw/zinc/10/84/27/267108427.db2.gz RADUIAURJZVGLN-UHFFFAOYSA-N 2 2 270.376 1.979 20 30 CDEDLP Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C#N)c[nH+]1 ZINC000574567672 295019413 /nfs/dbraw/zinc/01/94/13/295019413.db2.gz PBOCZHFPAREXPI-KGLIPLIRSA-N 2 2 258.369 1.968 20 30 CDEDLP CN(C)C(=[NH+]C[C@@H](c1ccsc1)[NH+](C)C)N(C)C ZINC000262024892 328143770 /nfs/dbraw/zinc/14/37/70/328143770.db2.gz ZCPSWPKBZHRGIX-LBPRGKRZSA-N 2 2 268.430 1.830 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CCC#N ZINC000423136453 330172062 /nfs/dbraw/zinc/17/20/62/330172062.db2.gz ZGCXVVDLKFIHLT-CHWSQXEVSA-N 2 2 253.390 1.673 20 30 CDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000424176946 330317472 /nfs/dbraw/zinc/31/74/72/330317472.db2.gz ZEGASNXTOAUBPE-JSGCOSHPSA-N 2 2 261.373 1.181 20 30 CDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000424176946 330317473 /nfs/dbraw/zinc/31/74/73/330317473.db2.gz ZEGASNXTOAUBPE-JSGCOSHPSA-N 2 2 261.373 1.181 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000491071563 332146539 /nfs/dbraw/zinc/14/65/39/332146539.db2.gz LMTRIOFSIFSARH-WBVHZDCISA-N 2 2 299.418 1.379 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000491071563 332146540 /nfs/dbraw/zinc/14/65/40/332146540.db2.gz LMTRIOFSIFSARH-WBVHZDCISA-N 2 2 299.418 1.379 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000491219444 332168065 /nfs/dbraw/zinc/16/80/65/332168065.db2.gz FKUDOFYEGLRWMX-NVXWUHKLSA-N 2 2 299.418 1.551 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000491219444 332168067 /nfs/dbraw/zinc/16/80/67/332168067.db2.gz FKUDOFYEGLRWMX-NVXWUHKLSA-N 2 2 299.418 1.551 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491544962 332234494 /nfs/dbraw/zinc/23/44/94/332234494.db2.gz OLPIAUYOFAJQSP-KGLIPLIRSA-N 2 2 275.352 1.475 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491544962 332234495 /nfs/dbraw/zinc/23/44/95/332234495.db2.gz OLPIAUYOFAJQSP-KGLIPLIRSA-N 2 2 275.352 1.475 20 30 CDEDLP C=CCNC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230021955 333312439 /nfs/dbraw/zinc/31/24/39/333312439.db2.gz SEHNMLDRQAPRIJ-UHFFFAOYSA-N 2 2 261.369 1.140 20 30 CDEDLP C=CCNC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230021955 333312441 /nfs/dbraw/zinc/31/24/41/333312441.db2.gz SEHNMLDRQAPRIJ-UHFFFAOYSA-N 2 2 261.369 1.140 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001753728123 1159896366 /nfs/dbraw/zinc/89/63/66/1159896366.db2.gz PQWIQEHTWBARPT-ZIAGYGMSSA-N 2 2 278.400 1.674 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001753811600 1159913423 /nfs/dbraw/zinc/91/34/23/1159913423.db2.gz KVOYMNRCXWVDJV-UKRRQHHQSA-N 2 2 288.395 1.192 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000068801055 525398589 /nfs/dbraw/zinc/39/85/89/525398589.db2.gz YVRIFBZQRSAMTB-XJKSGUPXSA-N 2 2 272.396 1.455 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000068801055 525398597 /nfs/dbraw/zinc/39/85/97/525398597.db2.gz YVRIFBZQRSAMTB-XJKSGUPXSA-N 2 2 272.396 1.455 20 30 CDEDLP C=CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237837840 534863135 /nfs/dbraw/zinc/86/31/35/534863135.db2.gz ZPQCZQJGEDHHML-HNNXBMFYSA-N 2 2 284.363 1.103 20 30 CDEDLP C#CCCC[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000766916491 576145818 /nfs/dbraw/zinc/14/58/18/576145818.db2.gz GGDPTQQPEIPXRP-LBPRGKRZSA-N 2 2 251.399 1.509 20 30 CDEDLP C[C@@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC[N@@H+]1C ZINC000761857025 576598088 /nfs/dbraw/zinc/59/80/88/576598088.db2.gz FODCCGFWHCKGEL-LLVKDONJSA-N 2 2 285.355 1.544 20 30 CDEDLP C[C@@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC[N@H+]1C ZINC000761857025 576598089 /nfs/dbraw/zinc/59/80/89/576598089.db2.gz FODCCGFWHCKGEL-LLVKDONJSA-N 2 2 285.355 1.544 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000950631672 612990163 /nfs/dbraw/zinc/99/01/63/612990163.db2.gz WXDFOEGCLVMZQN-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000950631672 612990166 /nfs/dbraw/zinc/99/01/66/612990166.db2.gz WXDFOEGCLVMZQN-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000950063049 612990974 /nfs/dbraw/zinc/99/09/74/612990974.db2.gz CHTZJNDQECICMJ-MRXNPFEDSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000950063049 612990975 /nfs/dbraw/zinc/99/09/75/612990975.db2.gz CHTZJNDQECICMJ-MRXNPFEDSA-N 2 2 291.439 1.415 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730183 613282503 /nfs/dbraw/zinc/28/25/03/613282503.db2.gz SHBRQEQEFOGOND-CYBMUJFWSA-N 2 2 290.411 1.796 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730183 613282504 /nfs/dbraw/zinc/28/25/04/613282504.db2.gz SHBRQEQEFOGOND-CYBMUJFWSA-N 2 2 290.411 1.796 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703583 613333830 /nfs/dbraw/zinc/33/38/30/613333830.db2.gz XAOKAVPOCLWGBM-UONOGXRCSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703583 613333831 /nfs/dbraw/zinc/33/38/31/613333831.db2.gz XAOKAVPOCLWGBM-UONOGXRCSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939643468 613349989 /nfs/dbraw/zinc/34/99/89/613349989.db2.gz TVEDTTPGIMTWFV-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942484582 613754412 /nfs/dbraw/zinc/75/44/12/613754412.db2.gz CGDGXKRLNRLNAM-ZIAGYGMSSA-N 2 2 298.390 1.961 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942484582 613754414 /nfs/dbraw/zinc/75/44/14/613754414.db2.gz CGDGXKRLNRLNAM-ZIAGYGMSSA-N 2 2 298.390 1.961 20 30 CDEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982599485 613822293 /nfs/dbraw/zinc/82/22/93/613822293.db2.gz NOWSWMCRGFYGEV-IYBDPMFKSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982599485 613822297 /nfs/dbraw/zinc/82/22/97/613822297.db2.gz NOWSWMCRGFYGEV-IYBDPMFKSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC000970816077 613864530 /nfs/dbraw/zinc/86/45/30/613864530.db2.gz NFBVNFGDXABWBW-HUUCEWRRSA-N 2 2 288.395 1.061 20 30 CDEDLP CC(C)NC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104154593 617617343 /nfs/dbraw/zinc/61/73/43/617617343.db2.gz FKCZJPOHUPIXCU-HNNXBMFYSA-N 2 2 290.411 1.200 20 30 CDEDLP CC(C)NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104154593 617617349 /nfs/dbraw/zinc/61/73/49/617617349.db2.gz FKCZJPOHUPIXCU-HNNXBMFYSA-N 2 2 290.411 1.200 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)CNc2cccc[nH+]2)CC1 ZINC000900599544 623276688 /nfs/dbraw/zinc/27/66/88/623276688.db2.gz RBNCMLJLCZCHFQ-UHFFFAOYSA-N 2 2 288.395 1.650 20 30 CDEDLP CCOCCC[NH+]=C(NCCn1cc[nH+]c1)NC(C)(C)C ZINC000912499713 630042206 /nfs/dbraw/zinc/04/22/06/630042206.db2.gz ZKSMAPXLFKXCGT-UHFFFAOYSA-N 2 2 295.431 1.643 20 30 CDEDLP C[NH+](C)CC#CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000913516977 630521283 /nfs/dbraw/zinc/52/12/83/630521283.db2.gz NOFGZIBWCAMPOC-UHFFFAOYSA-N 2 2 296.374 1.226 20 30 CDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001753528487 1159846014 /nfs/dbraw/zinc/84/60/14/1159846014.db2.gz OWBWXFICRXSHDN-MRXNPFEDSA-N 2 2 288.395 1.158 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001752942897 1161978846 /nfs/dbraw/zinc/97/88/46/1161978846.db2.gz HFWXKQQJCZESHG-KBPBESRZSA-N 2 2 288.395 1.070 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135368 1163579716 /nfs/dbraw/zinc/57/97/16/1163579716.db2.gz PZZWYKKMRDSVJR-STQMWFEESA-N 2 2 276.384 1.212 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133869354 1163941955 /nfs/dbraw/zinc/94/19/55/1163941955.db2.gz DQSREAJXQDYLHJ-GFCCVEGCSA-N 2 2 296.802 1.212 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(CC)n2)C1 ZINC000884611529 1166510508 /nfs/dbraw/zinc/51/05/08/1166510508.db2.gz OFPHMTNSMYBNJW-CYBMUJFWSA-N 2 2 258.369 1.857 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(CC)n2)C1 ZINC000884611529 1166510514 /nfs/dbraw/zinc/51/05/14/1166510514.db2.gz OFPHMTNSMYBNJW-CYBMUJFWSA-N 2 2 258.369 1.857 20 30 CDEDLP C#CC[N@H+](C[C@H]1CCC[C@]2(CCOC2)O1)C1CC[NH2+]CC1 ZINC001574667271 1170998814 /nfs/dbraw/zinc/99/88/14/1170998814.db2.gz OKPURBHIRPMKFU-IAGOWNOFSA-N 2 2 292.423 1.402 20 30 CDEDLP C#CC[N@@H+](C[C@H]1CCC[C@]2(CCOC2)O1)C1CC[NH2+]CC1 ZINC001574667271 1170998819 /nfs/dbraw/zinc/99/88/19/1170998819.db2.gz OKPURBHIRPMKFU-IAGOWNOFSA-N 2 2 292.423 1.402 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001674252887 1173927888 /nfs/dbraw/zinc/92/78/88/1173927888.db2.gz FCKHPWFEKKWLRG-NSHDSACASA-N 2 2 264.373 1.321 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001715212735 1179578527 /nfs/dbraw/zinc/57/85/27/1179578527.db2.gz FJRDVEVKQAWLIM-GXTWGEPZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001715212735 1179578529 /nfs/dbraw/zinc/57/85/29/1179578529.db2.gz FJRDVEVKQAWLIM-GXTWGEPZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752788281 1184914462 /nfs/dbraw/zinc/91/44/62/1184914462.db2.gz GLKPJCYRSJENJA-CYBMUJFWSA-N 2 2 276.384 1.357 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752788281 1184914466 /nfs/dbraw/zinc/91/44/66/1184914466.db2.gz GLKPJCYRSJENJA-CYBMUJFWSA-N 2 2 276.384 1.357 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752992681 1184985998 /nfs/dbraw/zinc/98/59/98/1184985998.db2.gz QVFNJWYYVWEKBR-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752992681 1184986002 /nfs/dbraw/zinc/98/60/02/1184986002.db2.gz QVFNJWYYVWEKBR-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752992681 1184986008 /nfs/dbraw/zinc/98/60/08/1184986008.db2.gz QVFNJWYYVWEKBR-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752992681 1184986013 /nfs/dbraw/zinc/98/60/13/1184986013.db2.gz QVFNJWYYVWEKBR-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001753477122 1185227932 /nfs/dbraw/zinc/22/79/32/1185227932.db2.gz LUWOECIPBBROMA-CHWSQXEVSA-N 2 2 276.384 1.116 20 30 CDEDLP C=CC[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001754517369 1185654982 /nfs/dbraw/zinc/65/49/82/1185654982.db2.gz KUZBLEXWGLLQQQ-CQSZACIVSA-N 2 2 290.411 1.895 20 30 CDEDLP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001754517475 1185655411 /nfs/dbraw/zinc/65/54/11/1185655411.db2.gz PBEPQFLULHLLJD-CHWSQXEVSA-N 2 2 288.395 1.718 20 30 CDEDLP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001754517475 1185655413 /nfs/dbraw/zinc/65/54/13/1185655413.db2.gz PBEPQFLULHLLJD-CHWSQXEVSA-N 2 2 288.395 1.718 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001754685621 1185706263 /nfs/dbraw/zinc/70/62/63/1185706263.db2.gz OISVXUIXEKJMSC-HNNXBMFYSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001754685621 1185706266 /nfs/dbraw/zinc/70/62/66/1185706266.db2.gz OISVXUIXEKJMSC-HNNXBMFYSA-N 2 2 276.384 1.430 20 30 CDEDLP C=CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001754993695 1185782534 /nfs/dbraw/zinc/78/25/34/1185782534.db2.gz YYUIDACVVYXTAU-UHFFFAOYSA-N 2 2 262.357 1.088 20 30 CDEDLP C=CC[NH2+]CC1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001755211328 1185856698 /nfs/dbraw/zinc/85/66/98/1185856698.db2.gz PGMFQBHMGKQYOW-UHFFFAOYSA-N 2 2 298.390 1.927 20 30 CDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001755379697 1185935201 /nfs/dbraw/zinc/93/52/01/1185935201.db2.gz QSUCRTLVPZAKKZ-LBPRGKRZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001755379697 1185935210 /nfs/dbraw/zinc/93/52/10/1185935210.db2.gz QSUCRTLVPZAKKZ-LBPRGKRZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001755668873 1186030227 /nfs/dbraw/zinc/03/02/27/1186030227.db2.gz HDGSUVSOPIDGTQ-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001755850025 1186089465 /nfs/dbraw/zinc/08/94/65/1186089465.db2.gz BOUQDDFVMINLMU-LBPRGKRZSA-N 2 2 288.395 1.111 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028983 811872822 /nfs/dbraw/zinc/87/28/22/811872822.db2.gz SQTKFVQRGNOZLP-LBPRGKRZSA-N 2 2 292.383 1.116 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028983 811872823 /nfs/dbraw/zinc/87/28/23/811872823.db2.gz SQTKFVQRGNOZLP-LBPRGKRZSA-N 2 2 292.383 1.116 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027792761 813142147 /nfs/dbraw/zinc/14/21/47/813142147.db2.gz VKNDAPAMTXRPRV-STQMWFEESA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027792761 813142172 /nfs/dbraw/zinc/14/21/72/813142172.db2.gz VKNDAPAMTXRPRV-STQMWFEESA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792761 813142187 /nfs/dbraw/zinc/14/21/87/813142187.db2.gz VKNDAPAMTXRPRV-STQMWFEESA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792761 813142199 /nfs/dbraw/zinc/14/21/99/813142199.db2.gz VKNDAPAMTXRPRV-STQMWFEESA-N 2 2 285.819 1.414 20 30 CDEDLP N#CC1(C[C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CCC1 ZINC000886034470 805283233 /nfs/dbraw/zinc/28/32/33/805283233.db2.gz ANEOSSZRVLYROP-OAHLLOKOSA-N 2 2 288.395 1.965 20 30 CDEDLP C=CC[NH2+]C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000996717441 805352532 /nfs/dbraw/zinc/35/25/32/805352532.db2.gz PMANYICCRPJQKF-UHFFFAOYSA-N 2 2 290.411 1.693 20 30 CDEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997087698 811077052 /nfs/dbraw/zinc/07/70/52/811077052.db2.gz YVQVZDOXHVSDQK-LBPRGKRZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997087698 811077063 /nfs/dbraw/zinc/07/70/63/811077063.db2.gz YVQVZDOXHVSDQK-LBPRGKRZSA-N 2 2 276.384 1.355 20 30 CDEDLP C[C@@H]1CNC(NN=C2C[N@H+](Cc3ccccc3)C[C@@H]2C)=[NH+]1 ZINC000779792529 811083387 /nfs/dbraw/zinc/08/33/87/811083387.db2.gz SPFKMXXILDRWQP-QWHCGFSZSA-N 2 2 285.395 1.432 20 30 CDEDLP C[C@@H]1CNC(NN=C2C[N@@H+](Cc3ccccc3)C[C@@H]2C)=[NH+]1 ZINC000779792529 811083399 /nfs/dbraw/zinc/08/33/99/811083399.db2.gz SPFKMXXILDRWQP-QWHCGFSZSA-N 2 2 285.395 1.432 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001074927705 811498636 /nfs/dbraw/zinc/49/86/36/811498636.db2.gz OTHLNLKCKQCWOR-KKUMJFAQSA-N 2 2 290.411 1.989 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027944489 811703620 /nfs/dbraw/zinc/70/36/20/811703620.db2.gz FEMQYBJVMGCSFW-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027944489 811703643 /nfs/dbraw/zinc/70/36/43/811703643.db2.gz FEMQYBJVMGCSFW-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027944489 811703676 /nfs/dbraw/zinc/70/36/76/811703676.db2.gz FEMQYBJVMGCSFW-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027944489 811703705 /nfs/dbraw/zinc/70/37/05/811703705.db2.gz FEMQYBJVMGCSFW-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021680212 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CDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001017942923 813062446 /nfs/dbraw/zinc/06/24/46/813062446.db2.gz VOWJBJXANZLLBI-KFWWJZLASA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@H]1C ZINC001017942923 813062457 /nfs/dbraw/zinc/06/24/57/813062457.db2.gz VOWJBJXANZLLBI-KFWWJZLASA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@H]1C ZINC001017942923 813062463 /nfs/dbraw/zinc/06/24/63/813062463.db2.gz VOWJBJXANZLLBI-KFWWJZLASA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072675964 813079373 /nfs/dbraw/zinc/07/93/73/813079373.db2.gz IDCKRCTWIGFXIV-UHFFFAOYSA-N 2 2 274.368 1.063 20 30 CDEDLP C=CC[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072675964 813079385 /nfs/dbraw/zinc/07/93/85/813079385.db2.gz IDCKRCTWIGFXIV-UHFFFAOYSA-N 2 2 274.368 1.063 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C ZINC000986217482 813682044 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/nfs/dbraw/zinc/27/73/74/817277374.db2.gz GKBCPNOPJGHTHP-AWEZNQCLSA-N 2 2 290.411 1.807 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001015982703 817572689 /nfs/dbraw/zinc/57/26/89/817572689.db2.gz SGGDWPOGHWBAIM-CYBMUJFWSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001015982703 817572719 /nfs/dbraw/zinc/57/27/19/817572719.db2.gz SGGDWPOGHWBAIM-CYBMUJFWSA-N 2 2 297.362 1.257 20 30 CDEDLP C#Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000809645093 817938936 /nfs/dbraw/zinc/93/89/36/817938936.db2.gz PQRFEKJBDRIVSE-OAHLLOKOSA-N 2 2 251.333 1.969 20 30 CDEDLP C#Cc1cc(Nc2cccc(N3CC[NH+](C)CC3)c2)cc[nH+]1 ZINC001212709376 912262470 /nfs/dbraw/zinc/26/24/70/912262470.db2.gz QMGMUQPRMRXQRA-UHFFFAOYSA-N 2 2 292.386 1.980 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167432177 895664896 /nfs/dbraw/zinc/66/48/96/895664896.db2.gz IJOGMYQFERAYDL-LBPRGKRZSA-N 2 2 284.791 1.683 20 30 CDEDLP C=C(C)C[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180065032 916141584 /nfs/dbraw/zinc/14/15/84/916141584.db2.gz FPWAZTSEWHDLFY-UHFFFAOYSA-N 2 2 292.427 1.805 20 30 CDEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182996868 918247633 /nfs/dbraw/zinc/24/76/33/918247633.db2.gz JNPINZOKUIWLOV-CZUORRHYSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161209640 936817968 /nfs/dbraw/zinc/81/79/68/936817968.db2.gz SRCNIBDYBHBBGO-LBPRGKRZSA-N 2 2 296.802 1.294 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193468131 923704218 /nfs/dbraw/zinc/70/42/18/923704218.db2.gz BDQIWTSWBDPDKD-CYBMUJFWSA-N 2 2 290.411 1.796 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193468131 923704231 /nfs/dbraw/zinc/70/42/31/923704231.db2.gz BDQIWTSWBDPDKD-CYBMUJFWSA-N 2 2 290.411 1.796 20 30 CDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079961285 924455886 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2 274.368 1.250 20 30 CDEDLP C=CCC[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001201745000 926395075 /nfs/dbraw/zinc/39/50/75/926395075.db2.gz RHRNAQRSGACMJW-UHFFFAOYSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109770831 929038835 /nfs/dbraw/zinc/03/88/35/929038835.db2.gz CRQXHAKWEFHBJB-KBXIAJHMSA-N 2 2 288.395 1.742 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135131357 930069120 /nfs/dbraw/zinc/06/91/20/930069120.db2.gz GPIIHKMWTAVXAC-OLZOCXBDSA-N 2 2 298.818 1.899 20 30 CDEDLP C#CCC[NH+]1CCC(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001006338296 930285107 /nfs/dbraw/zinc/28/51/07/930285107.db2.gz DLLIMGYOLNVBNF-UHFFFAOYSA-N 2 2 288.395 1.207 20 30 CDEDLP C#CCCC[NH+]1CCC2(C[NH+](COCCOC)C2)CC1 ZINC001275976051 932192201 /nfs/dbraw/zinc/19/22/01/932192201.db2.gz XXXVIECHRDJIBW-UHFFFAOYSA-N 2 2 280.412 1.418 20 30 CDEDLP N#Cc1ccnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1F ZINC001155057601 937628949 /nfs/dbraw/zinc/62/89/49/937628949.db2.gz LFPZUZWDPPLFNI-UHFFFAOYSA-N 2 2 271.299 1.745 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038648506 934761478 /nfs/dbraw/zinc/76/14/78/934761478.db2.gz WJAJPHJQHMLHQR-CQSZACIVSA-N 2 2 291.395 1.721 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038648506 934761483 /nfs/dbraw/zinc/76/14/83/934761483.db2.gz WJAJPHJQHMLHQR-CQSZACIVSA-N 2 2 291.395 1.721 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007686423 935388639 /nfs/dbraw/zinc/38/86/39/935388639.db2.gz KJRDFOLZUMBGSG-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007686423 935388645 /nfs/dbraw/zinc/38/86/45/935388645.db2.gz KJRDFOLZUMBGSG-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940596 935595152 /nfs/dbraw/zinc/59/51/52/935595152.db2.gz OOALLVGMCNILPJ-ZDUSSCGKSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940596 935595153 /nfs/dbraw/zinc/59/51/53/935595153.db2.gz OOALLVGMCNILPJ-ZDUSSCGKSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749374 936175796 /nfs/dbraw/zinc/17/57/96/936175796.db2.gz BUQAFSMAANBLDP-KGLIPLIRSA-N 2 2 274.368 1.204 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749374 936175798 /nfs/dbraw/zinc/17/57/98/936175798.db2.gz BUQAFSMAANBLDP-KGLIPLIRSA-N 2 2 274.368 1.204 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160837811 938831652 /nfs/dbraw/zinc/83/16/52/938831652.db2.gz FWEHMVKLWPNXQK-UHFFFAOYSA-N 2 2 277.368 1.305 20 30 CDEDLP C=CCN(C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CCCCC1 ZINC001161247967 938882903 /nfs/dbraw/zinc/88/29/03/938882903.db2.gz NYEOFLZLLJNJAB-CZUORRHYSA-N 2 2 277.412 1.285 20 30 CDEDLP CSc1nc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccc1C#N ZINC001205110560 939823972 /nfs/dbraw/zinc/82/39/72/939823972.db2.gz VXUWNTSICYJVJM-GFCCVEGCSA-N 2 2 276.409 1.988 20 30 CDEDLP CSc1nc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1C#N ZINC001205110560 939823974 /nfs/dbraw/zinc/82/39/74/939823974.db2.gz VXUWNTSICYJVJM-GFCCVEGCSA-N 2 2 276.409 1.988 20 30 CDEDLP C=CCCC[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206688644 940079161 /nfs/dbraw/zinc/07/91/61/940079161.db2.gz VDUJRPHYHOWGMK-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208848740 940395109 /nfs/dbraw/zinc/39/51/09/940395109.db2.gz KQZZYPJRDRAGMR-OAHLLOKOSA-N 2 2 290.411 1.820 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216064817 940919623 /nfs/dbraw/zinc/91/96/23/940919623.db2.gz GYOPKCTYFIHMTP-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP CC(C)(C#N)c1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218582384 941240808 /nfs/dbraw/zinc/24/08/08/941240808.db2.gz WRAMDOKRNCZEFO-GFCCVEGCSA-N 2 2 298.350 1.114 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099593 941564666 /nfs/dbraw/zinc/56/46/66/941564666.db2.gz YZKDPGNCCSWRMO-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)c2c1 ZINC001235985003 944349143 /nfs/dbraw/zinc/34/91/43/944349143.db2.gz BTUGYQQEYUABFR-BBRMVZONSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)c2c1 ZINC001235985003 944349149 /nfs/dbraw/zinc/34/91/49/944349149.db2.gz BTUGYQQEYUABFR-BBRMVZONSA-N 2 2 266.348 1.963 20 30 CDEDLP C#CC1([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252947252 951705115 /nfs/dbraw/zinc/70/51/15/951705115.db2.gz ALSMASRSIZIKDG-QGZVFWFLSA-N 2 2 270.376 1.379 20 30 CDEDLP C#CC1([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252947252 951705120 /nfs/dbraw/zinc/70/51/20/951705120.db2.gz ALSMASRSIZIKDG-QGZVFWFLSA-N 2 2 270.376 1.379 20 30 CDEDLP C=C[C@H](O)C[NH+]1CCc2c(C[N@@H+](C)C(C)C)[nH]nc2C1 ZINC001253576312 951963601 /nfs/dbraw/zinc/96/36/01/951963601.db2.gz LXDNXVOHSQMVOE-LBPRGKRZSA-N 2 2 278.400 1.155 20 30 CDEDLP C=C[C@H](O)C[N@@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1 ZINC001253576312 951963610 /nfs/dbraw/zinc/96/36/10/951963610.db2.gz LXDNXVOHSQMVOE-LBPRGKRZSA-N 2 2 278.400 1.155 20 30 CDEDLP CC[NH+]1CCC([N@@H+]2CCCN(CC3(C#N)CC3)CC2)CC1 ZINC001363798950 953813188 /nfs/dbraw/zinc/81/31/88/953813188.db2.gz DFBVUTKYXOEVFP-UHFFFAOYSA-N 2 2 290.455 1.782 20 30 CDEDLP CC[NH+]1CCC([N@H+]2CCCN(CC3(C#N)CC3)CC2)CC1 ZINC001363798950 953813202 /nfs/dbraw/zinc/81/32/02/953813202.db2.gz DFBVUTKYXOEVFP-UHFFFAOYSA-N 2 2 290.455 1.782 20 30 CDEDLP C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)Cn1cc[nH+]c1 ZINC001335940383 960111024 /nfs/dbraw/zinc/11/10/24/960111024.db2.gz CVSGXTCNVQOKQN-OLZOCXBDSA-N 2 2 264.373 1.410 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001420419135 962885977 /nfs/dbraw/zinc/88/59/77/962885977.db2.gz ATPKUAQWEOFPHW-LBPRGKRZSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001420419135 962885985 /nfs/dbraw/zinc/88/59/85/962885985.db2.gz ATPKUAQWEOFPHW-LBPRGKRZSA-N 2 2 287.835 1.519 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001420419135 962886007 /nfs/dbraw/zinc/88/60/07/962886007.db2.gz ATPKUAQWEOFPHW-LBPRGKRZSA-N 2 2 287.835 1.519 20 30 CDEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100419167 968292142 /nfs/dbraw/zinc/29/21/42/968292142.db2.gz OKOXLSKNFDWUOS-NWINJMCUSA-N 2 2 286.379 1.021 20 30 CDEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100419167 968292151 /nfs/dbraw/zinc/29/21/51/968292151.db2.gz OKOXLSKNFDWUOS-NWINJMCUSA-N 2 2 286.379 1.021 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550663 968692084 /nfs/dbraw/zinc/69/20/84/968692084.db2.gz VYONNLRAYFCYGR-UHFFFAOYSA-N 2 2 276.384 1.334 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402698549 976446910 /nfs/dbraw/zinc/44/69/10/976446910.db2.gz WNQOQJJDEQVJCQ-GFCCVEGCSA-N 2 2 296.802 1.533 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222175 1163203273 /nfs/dbraw/zinc/20/32/73/1163203273.db2.gz UUXIBYAONIGHRI-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222175 1163203281 /nfs/dbraw/zinc/20/32/81/1163203281.db2.gz UUXIBYAONIGHRI-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C[NH+](C)C1(CNC[C@@H](O)C[N@H+](C)CCC#N)CCCCC1 ZINC000591241572 342622351 /nfs/dbraw/zinc/62/23/51/342622351.db2.gz ISEWPKRKCUYHHI-OAHLLOKOSA-N 2 2 296.459 1.047 20 30 CDEDLP C[NH+](C)C1(CNC[C@@H](O)C[N@@H+](C)CCC#N)CCCCC1 ZINC000591241572 342622352 /nfs/dbraw/zinc/62/23/52/342622352.db2.gz ISEWPKRKCUYHHI-OAHLLOKOSA-N 2 2 296.459 1.047 20 30 CDEDLP C=CCC[C@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625548195 342184041 /nfs/dbraw/zinc/18/40/41/342184041.db2.gz AFCSQLAPGQAPHA-HNNXBMFYSA-N 2 2 268.401 1.110 20 30 CDEDLP C=CCCSCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000596650957 343371041 /nfs/dbraw/zinc/37/10/41/343371041.db2.gz MNNATPKOCFRTAC-CHWSQXEVSA-N 2 2 258.431 1.652 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)ncc1F ZINC000295058482 199323195 /nfs/dbraw/zinc/32/31/95/199323195.db2.gz QXMUQMOBRMAFFK-LBPRGKRZSA-N 2 2 279.359 1.835 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)ncc1F ZINC000295058482 199323196 /nfs/dbraw/zinc/32/31/96/199323196.db2.gz QXMUQMOBRMAFFK-LBPRGKRZSA-N 2 2 279.359 1.835 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598600586 343850467 /nfs/dbraw/zinc/85/04/67/343850467.db2.gz UQNRKAWYGPDMPZ-STQMWFEESA-N 2 2 276.384 1.510 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598600586 343850469 /nfs/dbraw/zinc/85/04/69/343850469.db2.gz UQNRKAWYGPDMPZ-STQMWFEESA-N 2 2 276.384 1.510 20 30 CDEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598728486 343887049 /nfs/dbraw/zinc/88/70/49/343887049.db2.gz SQOATOQGLQYOHM-KBPBESRZSA-N 2 2 267.417 1.751 20 30 CDEDLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598728486 343887050 /nfs/dbraw/zinc/88/70/50/343887050.db2.gz SQOATOQGLQYOHM-KBPBESRZSA-N 2 2 267.417 1.751 20 30 CDEDLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CCSC1 ZINC000598724943 343885946 /nfs/dbraw/zinc/88/59/46/343885946.db2.gz MQKARMJHEWTLSF-GXTWGEPZSA-N 2 2 285.457 1.314 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601968444 344299504 /nfs/dbraw/zinc/29/95/04/344299504.db2.gz ZQUGLYDAASUXJJ-HOCLYGCPSA-N 2 2 273.380 1.373 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601968444 344299505 /nfs/dbraw/zinc/29/95/05/344299505.db2.gz ZQUGLYDAASUXJJ-HOCLYGCPSA-N 2 2 273.380 1.373 20 30 CDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCc2ccccc21 ZINC000263259706 362402895 /nfs/dbraw/zinc/40/28/95/362402895.db2.gz SDZIYGZJHRGODU-UHFFFAOYSA-N 2 2 283.379 1.911 20 30 CDEDLP CC[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000263279281 362494145 /nfs/dbraw/zinc/49/41/45/362494145.db2.gz ZNHWBXQSKGTMIW-UHFFFAOYSA-N 2 2 292.452 1.824 20 30 CDEDLP CC[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000263279281 362494150 /nfs/dbraw/zinc/49/41/50/362494150.db2.gz ZNHWBXQSKGTMIW-UHFFFAOYSA-N 2 2 292.452 1.824 20 30 CDEDLP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000641767306 365830059 /nfs/dbraw/zinc/83/00/59/365830059.db2.gz IMILOMLTTIVSCO-KRWDZBQOSA-N 2 2 287.407 1.410 20 30 CDEDLP CCNC(=[NH2+])NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000264079168 362960081 /nfs/dbraw/zinc/96/00/81/362960081.db2.gz IAIWZAIJMJUNPH-AWEZNQCLSA-N 2 2 262.401 1.776 20 30 CDEDLP N#Cc1ccccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312927596 350803647 /nfs/dbraw/zinc/80/36/47/350803647.db2.gz DSWMADVSQOTVIJ-INIZCTEOSA-N 2 2 270.380 1.038 20 30 CDEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1C[C@@H]1C ZINC000176386295 366332737 /nfs/dbraw/zinc/33/27/37/366332737.db2.gz YTJPLCDYTDDTMT-JSGCOSHPSA-N 2 2 298.394 1.731 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000294647759 199121574 /nfs/dbraw/zinc/12/15/74/199121574.db2.gz QJFNORVWBGDOMX-AWEZNQCLSA-N 2 2 296.374 1.662 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C(=O)OC)co1 ZINC000294933900 199258166 /nfs/dbraw/zinc/25/81/66/199258166.db2.gz HQAVVUMXPZHAQR-GFCCVEGCSA-N 2 2 278.352 1.672 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C(=O)OC)co1 ZINC000294933900 199258167 /nfs/dbraw/zinc/25/81/67/199258167.db2.gz HQAVVUMXPZHAQR-GFCCVEGCSA-N 2 2 278.352 1.672 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000346481428 359016522 /nfs/dbraw/zinc/01/65/22/359016522.db2.gz GWRTUUSCLDQFRK-ZDUSSCGKSA-N 2 2 289.383 1.156 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000346481428 359016527 /nfs/dbraw/zinc/01/65/27/359016527.db2.gz GWRTUUSCLDQFRK-ZDUSSCGKSA-N 2 2 289.383 1.156 20 30 CDEDLP C=CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccco1 ZINC000428213149 360702820 /nfs/dbraw/zinc/70/28/20/360702820.db2.gz QQIGPMCKJGSKMT-CHWSQXEVSA-N 2 2 252.358 1.799 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247305633 361055874 /nfs/dbraw/zinc/05/58/74/361055874.db2.gz FONIIWJDUHWFDN-MELADBBJSA-N 2 2 276.384 1.457 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247305633 361055879 /nfs/dbraw/zinc/05/58/79/361055879.db2.gz FONIIWJDUHWFDN-MELADBBJSA-N 2 2 276.384 1.457 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCSCC#N)C1 ZINC000536066872 361241138 /nfs/dbraw/zinc/24/11/38/361241138.db2.gz KKQYXFRNBVLZBS-LBPRGKRZSA-N 2 2 264.398 1.856 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000536066872 361241141 /nfs/dbraw/zinc/24/11/41/361241141.db2.gz KKQYXFRNBVLZBS-LBPRGKRZSA-N 2 2 264.398 1.856 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361441225 368823649 /nfs/dbraw/zinc/82/36/49/368823649.db2.gz SZOZFSUWKBAUOK-CYBMUJFWSA-N 2 2 281.400 1.686 20 30 CDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3(C#N)CC3)c2cc1C ZINC000573597813 371594452 /nfs/dbraw/zinc/59/44/52/371594452.db2.gz VXZSZSFVYWXDNH-AWEZNQCLSA-N 2 2 298.390 1.907 20 30 CDEDLP CC(C)[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1[nH]cc[nH+]1 ZINC000578986392 372550250 /nfs/dbraw/zinc/55/02/50/372550250.db2.gz YCTQCCQPMMORIV-QWRGUYRKSA-N 2 2 263.345 1.244 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192839229 373645557 /nfs/dbraw/zinc/64/55/57/373645557.db2.gz AYHFQGBUXVSGHG-MQVJKMGUSA-N 3 2 263.429 1.852 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192839229 373645560 /nfs/dbraw/zinc/64/55/60/373645560.db2.gz AYHFQGBUXVSGHG-MQVJKMGUSA-N 3 2 263.429 1.852 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(C#N)cc1F ZINC000423500895 374385731 /nfs/dbraw/zinc/38/57/31/374385731.db2.gz DFMALZMHVXCZSK-YPMHNXCESA-N 2 2 276.359 1.252 20 30 CDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1cccs1 ZINC000058159545 375676674 /nfs/dbraw/zinc/67/66/74/375676674.db2.gz RFFOLGYTPFHSQQ-NEPJUHHUSA-N 2 2 296.440 1.434 20 30 CDEDLP O=C(NCCc1[nH]cc[nH+]1)C1CC[NH+](C2CC2)CC1 ZINC000328741076 375941708 /nfs/dbraw/zinc/94/17/08/375941708.db2.gz IUMAZWLXESJTEV-UHFFFAOYSA-N 2 2 262.357 1.783 20 30 CDEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC1CC1 ZINC000261689566 391678479 /nfs/dbraw/zinc/67/84/79/391678479.db2.gz BBWCGTKRKHHZMX-UHFFFAOYSA-N 2 2 273.315 1.578 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000261693489 391678978 /nfs/dbraw/zinc/67/89/78/391678978.db2.gz BMCNGAURWRKFAB-NSHDSACASA-N 2 2 278.425 1.585 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000261693489 391678983 /nfs/dbraw/zinc/67/89/83/391678983.db2.gz BMCNGAURWRKFAB-NSHDSACASA-N 2 2 278.425 1.585 20 30 CDEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)NC1CC1 ZINC000261893567 391724702 /nfs/dbraw/zinc/72/47/02/391724702.db2.gz UKCDVMVSJJVEOU-UHFFFAOYSA-N 2 2 255.325 1.439 20 30 CDEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191419568 130234281 /nfs/dbraw/zinc/23/42/81/130234281.db2.gz FOQTTXIBOSEWKT-ZDUSSCGKSA-N 2 2 260.385 1.670 20 30 CDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191419568 130234284 /nfs/dbraw/zinc/23/42/84/130234284.db2.gz FOQTTXIBOSEWKT-ZDUSSCGKSA-N 2 2 260.385 1.670 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191419568 130234286 /nfs/dbraw/zinc/23/42/86/130234286.db2.gz FOQTTXIBOSEWKT-ZDUSSCGKSA-N 2 2 260.385 1.670 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191419568 130234290 /nfs/dbraw/zinc/23/42/90/130234290.db2.gz FOQTTXIBOSEWKT-ZDUSSCGKSA-N 2 2 260.385 1.670 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404664981 391778683 /nfs/dbraw/zinc/77/86/83/391778683.db2.gz ZBZLATOPNANJIH-BXUZGUMPSA-N 2 2 277.343 1.554 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1C#N ZINC000335836259 151061325 /nfs/dbraw/zinc/06/13/25/151061325.db2.gz FGOIAEPUFRILNO-ZFWWWQNUSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1C#N ZINC000335836259 151061328 /nfs/dbraw/zinc/06/13/28/151061328.db2.gz FGOIAEPUFRILNO-ZFWWWQNUSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1C#N ZINC000335836259 151061331 /nfs/dbraw/zinc/06/13/31/151061331.db2.gz FGOIAEPUFRILNO-ZFWWWQNUSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1C#N ZINC000335836259 151061335 /nfs/dbraw/zinc/06/13/35/151061335.db2.gz FGOIAEPUFRILNO-ZFWWWQNUSA-N 2 2 258.369 1.423 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657454557 414349170 /nfs/dbraw/zinc/34/91/70/414349170.db2.gz LZLGZDADZAHUNH-DOMZBBRYSA-N 2 2 261.369 1.900 20 30 CDEDLP CC1CCN(C(=[NH2+])NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000194688215 262241603 /nfs/dbraw/zinc/24/16/03/262241603.db2.gz XJWXDFHMRYZXRM-UHFFFAOYSA-N 2 2 298.394 1.814 20 30 CDEDLP C#CCCNC(=[NH+]CC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261980185 262759487 /nfs/dbraw/zinc/75/94/87/262759487.db2.gz OSFFGOVDGGILPB-GJZGRUSLSA-N 2 2 287.411 1.755 20 30 CDEDLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330807744 264043336 /nfs/dbraw/zinc/04/33/36/264043336.db2.gz JKIUTUKEGGJVIM-SNVBAGLBSA-N 2 2 293.371 1.028 20 30 CDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655773238 424548915 /nfs/dbraw/zinc/54/89/15/424548915.db2.gz YVVSHSIRGWFVNS-ZNMIVQPWSA-N 2 2 266.385 1.173 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367584956 267102325 /nfs/dbraw/zinc/10/23/25/267102325.db2.gz LDKOTPAMJPNORI-YIONKMFJSA-N 2 2 292.427 1.306 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367584956 267102327 /nfs/dbraw/zinc/10/23/27/267102327.db2.gz LDKOTPAMJPNORI-YIONKMFJSA-N 2 2 292.427 1.306 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367584956 267102330 /nfs/dbraw/zinc/10/23/30/267102330.db2.gz LDKOTPAMJPNORI-YIONKMFJSA-N 2 2 292.427 1.306 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367584956 267102332 /nfs/dbraw/zinc/10/23/32/267102332.db2.gz LDKOTPAMJPNORI-YIONKMFJSA-N 2 2 292.427 1.306 20 30 CDEDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000573660487 294860401 /nfs/dbraw/zinc/86/04/01/294860401.db2.gz LAVQGQVHUOGFFX-UHFFFAOYSA-N 2 2 296.378 1.280 20 30 CDEDLP C=CC[NH+](CCc1ccco1)C[C@@H](O)C[N@@H+](C)CC ZINC000563352331 328057149 /nfs/dbraw/zinc/05/71/49/328057149.db2.gz CBFXOKQKFLQYMR-AWEZNQCLSA-N 2 2 266.385 1.623 20 30 CDEDLP C=CC[NH+](CCc1ccco1)C[C@@H](O)C[N@H+](C)CC ZINC000563352331 328057150 /nfs/dbraw/zinc/05/71/50/328057150.db2.gz CBFXOKQKFLQYMR-AWEZNQCLSA-N 2 2 266.385 1.623 20 30 CDEDLP C=CC[N@@H+](CCc1ccco1)C[C@@H](O)C[NH+](C)CC ZINC000563352331 328057152 /nfs/dbraw/zinc/05/71/52/328057152.db2.gz CBFXOKQKFLQYMR-AWEZNQCLSA-N 2 2 266.385 1.623 20 30 CDEDLP C=CC[N@H+](CCc1ccco1)C[C@@H](O)C[NH+](C)CC ZINC000563352331 328057153 /nfs/dbraw/zinc/05/71/53/328057153.db2.gz CBFXOKQKFLQYMR-AWEZNQCLSA-N 2 2 266.385 1.623 20 30 CDEDLP CC[NH+]=C(NCC(F)F)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261947035 328143389 /nfs/dbraw/zinc/14/33/89/328143389.db2.gz GFGAVGXFCKGKEI-RYUDHWBXSA-N 2 2 299.369 1.997 20 30 CDEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC[C@@H]1CCc2ccccc21 ZINC000174047626 329153887 /nfs/dbraw/zinc/15/38/87/329153887.db2.gz QVAMHNMXPRKROD-HNNXBMFYSA-N 2 2 297.406 1.778 20 30 CDEDLP CC[C@H](C)[NH2+][C@@H](CNC1=[NH+]CCCN1C)c1ccco1 ZINC000263053994 330041032 /nfs/dbraw/zinc/04/10/32/330041032.db2.gz DTPHNEUVXUTKOZ-STQMWFEESA-N 2 2 278.400 1.990 20 30 CDEDLP C=CC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451536719 331032908 /nfs/dbraw/zinc/03/29/08/331032908.db2.gz QCDGZZKMWXIFCR-MRXNPFEDSA-N 2 2 279.428 1.439 20 30 CDEDLP C=CC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451536719 331032909 /nfs/dbraw/zinc/03/29/09/331032909.db2.gz QCDGZZKMWXIFCR-MRXNPFEDSA-N 2 2 279.428 1.439 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451536719 331032910 /nfs/dbraw/zinc/03/29/10/331032910.db2.gz QCDGZZKMWXIFCR-MRXNPFEDSA-N 2 2 279.428 1.439 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451536719 331032911 /nfs/dbraw/zinc/03/29/11/331032911.db2.gz QCDGZZKMWXIFCR-MRXNPFEDSA-N 2 2 279.428 1.439 20 30 CDEDLP C#CC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000491427709 332209836 /nfs/dbraw/zinc/20/98/36/332209836.db2.gz LTCQAUQBYLTDAF-INIZCTEOSA-N 2 2 299.418 1.457 20 30 CDEDLP C#CC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000491427709 332209837 /nfs/dbraw/zinc/20/98/37/332209837.db2.gz LTCQAUQBYLTDAF-INIZCTEOSA-N 2 2 299.418 1.457 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000491616450 332243657 /nfs/dbraw/zinc/24/36/57/332243657.db2.gz JBLVXHKNPTZFNY-CVEARBPZSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000491616450 332243659 /nfs/dbraw/zinc/24/36/59/332243659.db2.gz JBLVXHKNPTZFNY-CVEARBPZSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)CCCC)CC1 ZINC000491642967 332262009 /nfs/dbraw/zinc/26/20/09/332262009.db2.gz ZHIDBHBXUJZBDB-OAHLLOKOSA-N 2 2 279.428 1.274 20 30 CDEDLP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001754933226 1159489597 /nfs/dbraw/zinc/48/95/97/1159489597.db2.gz PBUUDLNDCIMCCU-AWEZNQCLSA-N 2 2 290.411 1.747 20 30 CDEDLP CCC#C[C@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000677047831 482520248 /nfs/dbraw/zinc/52/02/48/482520248.db2.gz IFIRAKOHQBAKKP-HNNXBMFYSA-N 2 2 279.428 1.274 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C ZINC001088631038 1160668244 /nfs/dbraw/zinc/66/82/44/1160668244.db2.gz OIHGJTFLFNTUKZ-KBMXLJTQSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1C ZINC001088631038 1160668245 /nfs/dbraw/zinc/66/82/45/1160668245.db2.gz OIHGJTFLFNTUKZ-KBMXLJTQSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1C ZINC001088631038 1160668248 /nfs/dbraw/zinc/66/82/48/1160668248.db2.gz OIHGJTFLFNTUKZ-KBMXLJTQSA-N 2 2 289.423 1.073 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1C ZINC001088631038 1160668249 /nfs/dbraw/zinc/66/82/49/1160668249.db2.gz OIHGJTFLFNTUKZ-KBMXLJTQSA-N 2 2 289.423 1.073 20 30 CDEDLP CCc1ccc([C@@H](CNC(=[NH2+])NCCOC)[NH+](C)C)cc1 ZINC000072280326 524028711 /nfs/dbraw/zinc/02/87/11/524028711.db2.gz QPCONMBQZSWPQY-OAHLLOKOSA-N 2 2 292.427 1.402 20 30 CDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000347048037 528194184 /nfs/dbraw/zinc/19/41/84/528194184.db2.gz HTTCKXQIGKUONY-UHFFFAOYSA-N 2 2 292.427 1.355 20 30 CDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000347048037 528194191 /nfs/dbraw/zinc/19/41/91/528194191.db2.gz HTTCKXQIGKUONY-UHFFFAOYSA-N 2 2 292.427 1.355 20 30 CDEDLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328959351 538443866 /nfs/dbraw/zinc/44/38/66/538443866.db2.gz OXMPVLJGAGBEEX-STQMWFEESA-N 2 2 292.383 1.123 20 30 CDEDLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328959351 538443867 /nfs/dbraw/zinc/44/38/67/538443867.db2.gz OXMPVLJGAGBEEX-STQMWFEESA-N 2 2 292.383 1.123 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000730097574 574849468 /nfs/dbraw/zinc/84/94/68/574849468.db2.gz ASYSOFPUPYMALC-XHSDSOJGSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000730097574 574849469 /nfs/dbraw/zinc/84/94/69/574849469.db2.gz ASYSOFPUPYMALC-XHSDSOJGSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000730097574 574849470 /nfs/dbraw/zinc/84/94/70/574849470.db2.gz ASYSOFPUPYMALC-XHSDSOJGSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000730097574 574849471 /nfs/dbraw/zinc/84/94/71/574849471.db2.gz ASYSOFPUPYMALC-XHSDSOJGSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC000732277792 575086094 /nfs/dbraw/zinc/08/60/94/575086094.db2.gz PLURAOLGJPCBGE-UHFFFAOYSA-N 2 2 293.455 1.666 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC000732277792 575086095 /nfs/dbraw/zinc/08/60/95/575086095.db2.gz PLURAOLGJPCBGE-UHFFFAOYSA-N 2 2 293.455 1.666 20 30 CDEDLP C=CCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000754778672 576914908 /nfs/dbraw/zinc/91/49/08/576914908.db2.gz HWTQTRRQPJFFRU-UHFFFAOYSA-N 2 2 275.352 1.342 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CC(C)C)C2)CC1 ZINC000748824805 576928094 /nfs/dbraw/zinc/92/80/94/576928094.db2.gz OLNBFBLQRXFRFG-MRXNPFEDSA-N 2 2 291.439 1.132 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CC(C)C)C2)CC1 ZINC000748824805 576928095 /nfs/dbraw/zinc/92/80/95/576928095.db2.gz OLNBFBLQRXFRFG-MRXNPFEDSA-N 2 2 291.439 1.132 20 30 CDEDLP C#CCC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982051768 613002905 /nfs/dbraw/zinc/00/29/05/613002905.db2.gz QBCWOCDICNBTQE-HNNXBMFYSA-N 2 2 288.395 1.392 20 30 CDEDLP C#CCC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982051768 613002907 /nfs/dbraw/zinc/00/29/07/613002907.db2.gz QBCWOCDICNBTQE-HNNXBMFYSA-N 2 2 288.395 1.392 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944445197 613017427 /nfs/dbraw/zinc/01/74/27/613017427.db2.gz NAFXAHBFIKZDBP-TZMCWYRMSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944445197 613017428 /nfs/dbraw/zinc/01/74/28/613017428.db2.gz NAFXAHBFIKZDBP-TZMCWYRMSA-N 2 2 288.395 1.111 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971987860 613283711 /nfs/dbraw/zinc/28/37/11/613283711.db2.gz CWBXYRSERZXAOJ-CQSZACIVSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971987860 613283712 /nfs/dbraw/zinc/28/37/12/613283712.db2.gz CWBXYRSERZXAOJ-CQSZACIVSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000957424191 613294541 /nfs/dbraw/zinc/29/45/41/613294541.db2.gz IOFKXGPHTPDSKJ-INIZCTEOSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000957424191 613294543 /nfs/dbraw/zinc/29/45/43/613294543.db2.gz IOFKXGPHTPDSKJ-INIZCTEOSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000981485045 613347771 /nfs/dbraw/zinc/34/77/71/613347771.db2.gz FYXLZLGENMNESA-KGLIPLIRSA-N 2 2 290.411 1.854 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000969431513 613384556 /nfs/dbraw/zinc/38/45/56/613384556.db2.gz DMJRESXDVBWNAM-GFCCVEGCSA-N 2 2 296.802 1.296 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939211163 613386875 /nfs/dbraw/zinc/38/68/75/613386875.db2.gz QRAIFFCRORUJSR-SKDRFNHKSA-N 2 2 282.775 1.141 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977540613 613553992 /nfs/dbraw/zinc/55/39/92/613553992.db2.gz ZWRXCWBDAMJEPT-AWEZNQCLSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977540613 613553994 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C#CC[N@@H+](C[C@@H](O)c1cccc(C)c1)C1CC[NH2+]CC1 ZINC001574637345 1170996783 /nfs/dbraw/zinc/99/67/83/1170996783.db2.gz OCOZUGOWPJOUGK-QGZVFWFLSA-N 2 2 272.392 1.716 20 30 CDEDLP C#CC[N@H+](C[C@@H](O)c1cccc(C)c1)C1CC[NH2+]CC1 ZINC001574637345 1170996790 /nfs/dbraw/zinc/99/67/90/1170996790.db2.gz OCOZUGOWPJOUGK-QGZVFWFLSA-N 2 2 272.392 1.716 20 30 CDEDLP COc1cc(C#N)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001579138998 1172103718 /nfs/dbraw/zinc/10/37/18/1172103718.db2.gz GMYSJGQSYVKLQX-ZBFHGGJFSA-N 2 2 271.364 1.608 20 30 CDEDLP COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001579138998 1172103713 /nfs/dbraw/zinc/10/37/13/1172103713.db2.gz GMYSJGQSYVKLQX-ZBFHGGJFSA-N 2 2 271.364 1.608 20 30 CDEDLP N#Cc1ccc(OCCC[NH2+][C@]2(CO)CCC[NH2+]C2)cc1 ZINC001580071781 1172341747 /nfs/dbraw/zinc/34/17/47/1172341747.db2.gz SBUIJRLUFQREON-MRXNPFEDSA-N 2 2 289.379 1.031 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)C[N@@H+](C)CCC ZINC001713473931 1178590369 /nfs/dbraw/zinc/59/03/69/1178590369.db2.gz AWRGYNHBMFUDOF-UHFFFAOYSA-N 2 2 261.797 1.129 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)C[N@H+](C)CCC ZINC001713473931 1178590372 /nfs/dbraw/zinc/59/03/72/1178590372.db2.gz AWRGYNHBMFUDOF-UHFFFAOYSA-N 2 2 261.797 1.129 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C[NH+](C)CCC ZINC001713473931 1178590376 /nfs/dbraw/zinc/59/03/76/1178590376.db2.gz AWRGYNHBMFUDOF-UHFFFAOYSA-N 2 2 261.797 1.129 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C[NH+](C)CCC ZINC001713473931 1178590379 /nfs/dbraw/zinc/59/03/79/1178590379.db2.gz AWRGYNHBMFUDOF-UHFFFAOYSA-N 2 2 261.797 1.129 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001753721875 1185316920 /nfs/dbraw/zinc/31/69/20/1185316920.db2.gz DOQQGJSLRZILGQ-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755245841 1185875129 /nfs/dbraw/zinc/87/51/29/1185875129.db2.gz HPBVCUQPTCJOEZ-KGLIPLIRSA-N 2 2 296.374 1.602 20 30 CDEDLP C=C(C)C[NH2+][C@H](CCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001755552647 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1.417 20 30 CDEDLP C#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000999486759 818217313 /nfs/dbraw/zinc/21/73/13/818217313.db2.gz VIXVFGZHWRGWHN-AWEZNQCLSA-N 2 2 288.395 1.140 20 30 CDEDLP CC(C)NC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000261964145 818243811 /nfs/dbraw/zinc/24/38/11/818243811.db2.gz AKPDWUMULDHHNL-UHFFFAOYSA-N 2 2 266.414 1.419 20 30 CDEDLP CC(C)NC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000261964145 818243825 /nfs/dbraw/zinc/24/38/25/818243825.db2.gz AKPDWUMULDHHNL-UHFFFAOYSA-N 2 2 266.414 1.419 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001074927731 818345910 /nfs/dbraw/zinc/34/59/10/818345910.db2.gz QHJHONNYJLAHPY-RDBSUJKOSA-N 2 2 276.384 1.599 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000380830923 818348583 /nfs/dbraw/zinc/34/85/83/818348583.db2.gz JTBIWSZITMWAED-UHFFFAOYSA-N 2 2 275.352 1.948 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000380830923 818348594 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C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639483 818539624 /nfs/dbraw/zinc/53/96/24/818539624.db2.gz YNMVLERYYDCUNF-ZIAGYGMSSA-N 2 2 288.395 1.070 20 30 CDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992525772 818826336 /nfs/dbraw/zinc/82/63/36/818826336.db2.gz XQPAPNYIBBDRFE-DZGCQCFKSA-N 2 2 274.368 1.182 20 30 CDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992525772 818826344 /nfs/dbraw/zinc/82/63/44/818826344.db2.gz XQPAPNYIBBDRFE-DZGCQCFKSA-N 2 2 274.368 1.182 20 30 CDEDLP Cc1ccc([C@@H](CNC(=[NH2+])N2CCOCC2)[NH+](C)C)cc1 ZINC000104176076 819008588 /nfs/dbraw/zinc/00/85/88/819008588.db2.gz FGDPZEPMIKNDSD-OAHLLOKOSA-N 2 2 290.411 1.245 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001038446299 819206884 /nfs/dbraw/zinc/20/68/84/819206884.db2.gz ZEYFGZJHLSNNEO-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001038446299 819206888 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ZINC000997018592 826092193 /nfs/dbraw/zinc/09/21/93/826092193.db2.gz YOECPRLMBMPLEJ-ZIAGYGMSSA-N 2 2 288.395 1.290 20 30 CDEDLP C#CC[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000985680938 826342880 /nfs/dbraw/zinc/34/28/80/826342880.db2.gz FAWVGBGDEBOZRC-CQSZACIVSA-N 2 2 288.395 1.390 20 30 CDEDLP C#CC[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000985680938 826342886 /nfs/dbraw/zinc/34/28/86/826342886.db2.gz FAWVGBGDEBOZRC-CQSZACIVSA-N 2 2 288.395 1.390 20 30 CDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071610999 826350602 /nfs/dbraw/zinc/35/06/02/826350602.db2.gz YWCAINLZYRXRPH-GXTWGEPZSA-N 2 2 296.374 1.779 20 30 CDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071610999 826350609 /nfs/dbraw/zinc/35/06/09/826350609.db2.gz YWCAINLZYRXRPH-GXTWGEPZSA-N 2 2 296.374 1.779 20 30 CDEDLP C#CC[N@@H+](CC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871975155 826603432 /nfs/dbraw/zinc/60/34/32/826603432.db2.gz VTHKGPMAPPFAIU-QGZVFWFLSA-N 2 2 272.392 1.579 20 30 CDEDLP C#CC[N@H+](CC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871975155 826603482 /nfs/dbraw/zinc/60/34/82/826603482.db2.gz VTHKGPMAPPFAIU-QGZVFWFLSA-N 2 2 272.392 1.579 20 30 CDEDLP C#CC[NH+](CC)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000871975155 826603509 /nfs/dbraw/zinc/60/35/09/826603509.db2.gz VTHKGPMAPPFAIU-QGZVFWFLSA-N 2 2 272.392 1.579 20 30 CDEDLP C#CC[NH+](CC)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000871975155 826603552 /nfs/dbraw/zinc/60/35/52/826603552.db2.gz VTHKGPMAPPFAIU-QGZVFWFLSA-N 2 2 272.392 1.579 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989735851 826800998 /nfs/dbraw/zinc/80/09/98/826800998.db2.gz IITYCYNBNHRENP-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075865441 826836946 /nfs/dbraw/zinc/83/69/46/826836946.db2.gz WHCCVNPTFKLPFM-GXTWGEPZSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075865441 826836947 /nfs/dbraw/zinc/83/69/47/826836947.db2.gz WHCCVNPTFKLPFM-GXTWGEPZSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075865441 826836949 /nfs/dbraw/zinc/83/69/49/826836949.db2.gz WHCCVNPTFKLPFM-GXTWGEPZSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075865441 826836951 /nfs/dbraw/zinc/83/69/51/826836951.db2.gz WHCCVNPTFKLPFM-GXTWGEPZSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734051 826982342 /nfs/dbraw/zinc/98/23/42/826982342.db2.gz LWSKJFTVBSPYLP-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734051 826982362 /nfs/dbraw/zinc/98/23/62/826982362.db2.gz LWSKJFTVBSPYLP-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036734051 826982373 /nfs/dbraw/zinc/98/23/73/826982373.db2.gz LWSKJFTVBSPYLP-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036734051 826982384 /nfs/dbraw/zinc/98/23/84/826982384.db2.gz LWSKJFTVBSPYLP-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000883131243 827078936 /nfs/dbraw/zinc/07/89/36/827078936.db2.gz QRYQMMXMCZMDGV-UHFFFAOYSA-N 2 2 284.407 1.669 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000883131243 827078943 /nfs/dbraw/zinc/07/89/43/827078943.db2.gz QRYQMMXMCZMDGV-UHFFFAOYSA-N 2 2 284.407 1.669 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000883130995 827117513 /nfs/dbraw/zinc/11/75/13/827117513.db2.gz AFXQDEFRQZLTTK-UHFFFAOYSA-N 2 2 287.407 1.433 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000883130995 827117518 /nfs/dbraw/zinc/11/75/18/827117518.db2.gz AFXQDEFRQZLTTK-UHFFFAOYSA-N 2 2 287.407 1.433 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000819347864 827232621 /nfs/dbraw/zinc/23/26/21/827232621.db2.gz AJNASOWLSXDKHE-MRXNPFEDSA-N 2 2 288.391 1.243 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000819347864 827232635 /nfs/dbraw/zinc/23/26/35/827232635.db2.gz AJNASOWLSXDKHE-MRXNPFEDSA-N 2 2 288.391 1.243 20 30 CDEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001054896129 827837053 /nfs/dbraw/zinc/83/70/53/827837053.db2.gz QCXYTAUDBIVANC-CHWSQXEVSA-N 2 2 282.347 1.018 20 30 CDEDLP CCCCCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000177023787 827909555 /nfs/dbraw/zinc/90/95/55/827909555.db2.gz IKNSTDXHXUTPMX-UHFFFAOYSA-N 2 2 269.433 1.663 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000987341079 828091564 /nfs/dbraw/zinc/09/15/64/828091564.db2.gz IBYNGZVSXDLEMZ-AAEUAGOBSA-N 2 2 296.802 1.294 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC ZINC001037897736 828094841 /nfs/dbraw/zinc/09/48/41/828094841.db2.gz MNIILDJHGLGYFO-CABCVRRESA-N 2 2 290.411 1.676 20 30 CDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350898 914079587 /nfs/dbraw/zinc/07/95/87/914079587.db2.gz MULJUYUUIZWVTM-CYBMUJFWSA-N 2 2 290.411 1.549 20 30 CDEDLP C#Cc1cc(Nc2ccc(OCCC[NH+](C)C)nc2)cc[nH+]1 ZINC001176352474 914082886 /nfs/dbraw/zinc/08/28/86/914082886.db2.gz UQOBRGJFNZSAGT-UHFFFAOYSA-N 2 2 296.374 1.954 20 30 CDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176352143 914084826 /nfs/dbraw/zinc/08/48/26/914084826.db2.gz ZQQRSSVYEDFGDJ-LBPRGKRZSA-N 2 2 278.400 1.711 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[NH2+]CC2)c2cc(C#N)ccc21 ZINC001204684802 906697215 /nfs/dbraw/zinc/69/72/15/906697215.db2.gz MYBRTLJMZXLSBM-UHFFFAOYSA-N 2 2 268.364 1.845 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[NH2+]CC2)c2cc(C#N)ccc21 ZINC001204684802 906697220 /nfs/dbraw/zinc/69/72/20/906697220.db2.gz MYBRTLJMZXLSBM-UHFFFAOYSA-N 2 2 268.364 1.845 20 30 CDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178743955 915610580 /nfs/dbraw/zinc/61/05/80/915610580.db2.gz NPABZQPOCPYQNM-ZIAGYGMSSA-N 2 2 288.395 1.413 20 30 CDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178743955 915610589 /nfs/dbraw/zinc/61/05/89/915610589.db2.gz NPABZQPOCPYQNM-ZIAGYGMSSA-N 2 2 288.395 1.413 20 30 CDEDLP C=CC[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180065405 916142715 /nfs/dbraw/zinc/14/27/15/916142715.db2.gz QGEBRLJSLLWRSC-UHFFFAOYSA-N 2 2 278.400 1.415 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001254648269 936434498 /nfs/dbraw/zinc/43/44/98/936434498.db2.gz HBAABEVTYLUTND-OWCLPIDISA-N 2 2 277.412 1.769 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001254648269 936434499 /nfs/dbraw/zinc/43/44/99/936434499.db2.gz HBAABEVTYLUTND-OWCLPIDISA-N 2 2 277.412 1.769 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184273631 918964443 /nfs/dbraw/zinc/96/44/43/918964443.db2.gz LWJOTJGFGXRCLG-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185206797 919477408 /nfs/dbraw/zinc/47/74/08/919477408.db2.gz VYMOWCSBNOWCCA-STQMWFEESA-N 2 2 276.384 1.212 20 30 CDEDLP C=CCn1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC001139770822 936645344 /nfs/dbraw/zinc/64/53/44/936645344.db2.gz CDVNNZDUZKCPOF-HNNXBMFYSA-N 2 2 260.385 1.597 20 30 CDEDLP C=CCn1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC001139770822 936645346 /nfs/dbraw/zinc/64/53/46/936645346.db2.gz CDVNNZDUZKCPOF-HNNXBMFYSA-N 2 2 260.385 1.597 20 30 CDEDLP C=CCn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC001139770822 936645347 /nfs/dbraw/zinc/64/53/47/936645347.db2.gz CDVNNZDUZKCPOF-HNNXBMFYSA-N 2 2 260.385 1.597 20 30 CDEDLP C=CCn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC001139770822 936645349 /nfs/dbraw/zinc/64/53/49/936645349.db2.gz CDVNNZDUZKCPOF-HNNXBMFYSA-N 2 2 260.385 1.597 20 30 CDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191320170 922507141 /nfs/dbraw/zinc/50/71/41/922507141.db2.gz MEKJYBHFEYJMLD-AWEZNQCLSA-N 2 2 296.374 1.504 20 30 CDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191320170 922507146 /nfs/dbraw/zinc/50/71/46/922507146.db2.gz MEKJYBHFEYJMLD-AWEZNQCLSA-N 2 2 296.374 1.504 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@H+]2C2CC[NH+](C)CC2)C1=O ZINC001273827840 926060580 /nfs/dbraw/zinc/06/05/80/926060580.db2.gz XIKGOWSUADXJKD-MRXNPFEDSA-N 2 2 277.412 1.334 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@@H+]2C2CC[NH+](C)CC2)C1=O ZINC001273827840 926060588 /nfs/dbraw/zinc/06/05/88/926060588.db2.gz XIKGOWSUADXJKD-MRXNPFEDSA-N 2 2 277.412 1.334 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085629682 926229613 /nfs/dbraw/zinc/22/96/13/926229613.db2.gz ZEOWOBMSSJWNKB-JKSUJKDBSA-N 2 2 291.439 1.417 20 30 CDEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085629682 926229617 /nfs/dbraw/zinc/22/96/17/926229617.db2.gz ZEOWOBMSSJWNKB-JKSUJKDBSA-N 2 2 291.439 1.417 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085629682 926229623 /nfs/dbraw/zinc/22/96/23/926229623.db2.gz ZEOWOBMSSJWNKB-JKSUJKDBSA-N 2 2 291.439 1.417 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085629682 926229626 /nfs/dbraw/zinc/22/96/26/926229626.db2.gz ZEOWOBMSSJWNKB-JKSUJKDBSA-N 2 2 291.439 1.417 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085652225 926247914 /nfs/dbraw/zinc/24/79/14/926247914.db2.gz PXNBFXTXXIALJW-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085652225 926247919 /nfs/dbraw/zinc/24/79/19/926247919.db2.gz PXNBFXTXXIALJW-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086111421 926714046 /nfs/dbraw/zinc/71/40/46/926714046.db2.gz JFJJLQULVKWIHI-YVECIDJPSA-N 2 2 274.368 1.184 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086111421 926714057 /nfs/dbraw/zinc/71/40/57/926714057.db2.gz JFJJLQULVKWIHI-YVECIDJPSA-N 2 2 274.368 1.184 20 30 CDEDLP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169269444 927915115 /nfs/dbraw/zinc/91/51/15/927915115.db2.gz WDRKTIFCSXDAAX-CQSZACIVSA-N 2 2 295.427 1.847 20 30 CDEDLP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169269444 927915123 /nfs/dbraw/zinc/91/51/23/927915123.db2.gz WDRKTIFCSXDAAX-CQSZACIVSA-N 2 2 295.427 1.847 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134517746 929781029 /nfs/dbraw/zinc/78/10/29/929781029.db2.gz QZNNZSSJYWEJFW-ZDUSSCGKSA-N 2 2 264.373 1.506 20 30 CDEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134745246 929881061 /nfs/dbraw/zinc/88/10/61/929881061.db2.gz TVYNZKYUSPCFOX-CHWSQXEVSA-N 2 2 290.411 1.433 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798833 930429227 /nfs/dbraw/zinc/42/92/27/930429227.db2.gz MQTJHUMWEFIDQW-RYUDHWBXSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135948552 930554445 /nfs/dbraw/zinc/55/44/45/930554445.db2.gz CTXXKFAUPRTVLH-KBPBESRZSA-N 2 2 292.427 1.802 20 30 CDEDLP C#Cc1cc(Nc2cc[nH+]c(N3CCOCC3)c2)cc[nH+]1 ZINC001212989606 937455354 /nfs/dbraw/zinc/45/53/54/937455354.db2.gz ZRWSTTBPFNPIBZ-UHFFFAOYSA-N 2 2 280.331 1.460 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001445084166 931971851 /nfs/dbraw/zinc/97/18/51/931971851.db2.gz NECKFYXOFXFNQK-GFCCVEGCSA-N 2 2 273.808 1.081 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001445084166 931971857 /nfs/dbraw/zinc/97/18/57/931971857.db2.gz NECKFYXOFXFNQK-GFCCVEGCSA-N 2 2 273.808 1.081 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445084166 931971865 /nfs/dbraw/zinc/97/18/65/931971865.db2.gz NECKFYXOFXFNQK-GFCCVEGCSA-N 2 2 273.808 1.081 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445084166 931971866 /nfs/dbraw/zinc/97/18/66/931971866.db2.gz NECKFYXOFXFNQK-GFCCVEGCSA-N 2 2 273.808 1.081 20 30 CDEDLP C=C[C@@H](COC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001119003223 937687042 /nfs/dbraw/zinc/68/70/42/937687042.db2.gz JNZDGUIHGYOKFO-DLBZAZTESA-N 2 2 290.407 1.414 20 30 CDEDLP C=C[C@@H](COC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001119003223 937687044 /nfs/dbraw/zinc/68/70/44/937687044.db2.gz JNZDGUIHGYOKFO-DLBZAZTESA-N 2 2 290.407 1.414 20 30 CDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111074805 933944759 /nfs/dbraw/zinc/94/47/59/933944759.db2.gz CRQXHAKWEFHBJB-TUVASFSCSA-N 2 2 288.395 1.742 20 30 CDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111074805 933944767 /nfs/dbraw/zinc/94/47/67/933944767.db2.gz CRQXHAKWEFHBJB-TUVASFSCSA-N 2 2 288.395 1.742 20 30 CDEDLP N#Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2ccccc12 ZINC001158206420 938595589 /nfs/dbraw/zinc/59/55/89/938595589.db2.gz NSIRDIVFYHZWOX-GFCCVEGCSA-N 2 2 293.330 1.154 20 30 CDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794106 938664340 /nfs/dbraw/zinc/66/43/40/938664340.db2.gz IORGLDRQKLFRAC-CQSZACIVSA-N 2 2 290.411 1.760 20 30 CDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794106 938664343 /nfs/dbraw/zinc/66/43/43/938664343.db2.gz IORGLDRQKLFRAC-CQSZACIVSA-N 2 2 290.411 1.760 20 30 CDEDLP C[C@H](Nc1[nH+]ccc2[nH]cc(C#N)c21)[C@@H]1C[NH2+]CCO1 ZINC001159500303 938735496 /nfs/dbraw/zinc/73/54/96/938735496.db2.gz RSMQUGKQROBWSH-CABZTGNLSA-N 2 2 271.324 1.223 20 30 CDEDLP C=CCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336222 938891944 /nfs/dbraw/zinc/89/19/44/938891944.db2.gz OQEJODREQBVFMW-UHFFFAOYSA-N 2 2 288.395 1.667 20 30 CDEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336222 938891946 /nfs/dbraw/zinc/89/19/46/938891946.db2.gz OQEJODREQBVFMW-UHFFFAOYSA-N 2 2 288.395 1.667 20 30 CDEDLP C=C/C(=[NH+]\COC)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC001238819740 945259793 /nfs/dbraw/zinc/25/97/93/945259793.db2.gz RLPUSGMIBFQAQT-SAPNQHFASA-N 2 2 274.368 1.412 20 30 CDEDLP CC#CC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205810804 939939228 /nfs/dbraw/zinc/93/92/28/939939228.db2.gz FFOOTHSRDINWHZ-UHFFFAOYSA-N 2 2 288.395 1.125 20 30 CDEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206684440 940077621 /nfs/dbraw/zinc/07/76/21/940077621.db2.gz ZZMSKQKBECVAFO-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849284 940396017 /nfs/dbraw/zinc/39/60/17/940396017.db2.gz SGFYZIUZWVUDEZ-OAHLLOKOSA-N 2 2 290.411 1.820 20 30 CDEDLP N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218953083 941292598 /nfs/dbraw/zinc/29/25/98/941292598.db2.gz HCCULMOMZGCAIS-SCZZXKLOSA-N 2 2 298.268 1.205 20 30 CDEDLP C=CCOc1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235063152 944036854 /nfs/dbraw/zinc/03/68/54/944036854.db2.gz OZDNSRFHUPOSMA-QGZVFWFLSA-N 2 2 287.407 1.389 20 30 CDEDLP C=CCOc1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235063152 944036859 /nfs/dbraw/zinc/03/68/59/944036859.db2.gz OZDNSRFHUPOSMA-QGZVFWFLSA-N 2 2 287.407 1.389 20 30 CDEDLP CC[NH+](CC)CCC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001258910392 945447877 /nfs/dbraw/zinc/44/78/77/945447877.db2.gz QYMOUSDHKKVQEO-KGLIPLIRSA-N 2 2 252.406 1.294 20 30 CDEDLP N#Cc1cnccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244333580 947365991 /nfs/dbraw/zinc/36/59/91/947365991.db2.gz AKZZXTOLBVUATD-UHFFFAOYSA-N 2 2 275.315 1.955 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254533587 947514565 /nfs/dbraw/zinc/51/45/65/947514565.db2.gz MUYXOTMZLDKLLX-ZDUSSCGKSA-N 2 2 279.384 1.249 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254533587 947514573 /nfs/dbraw/zinc/51/45/73/947514573.db2.gz MUYXOTMZLDKLLX-ZDUSSCGKSA-N 2 2 279.384 1.249 20 30 CDEDLP CCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001245994424 947885538 /nfs/dbraw/zinc/88/55/38/947885538.db2.gz KLYAIRXIFAPEBT-KKUMJFAQSA-N 2 2 272.433 1.268 20 30 CDEDLP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246708869 948413075 /nfs/dbraw/zinc/41/30/75/948413075.db2.gz HEYDOXDRJGVQEM-AWEZNQCLSA-N 2 2 277.412 1.381 20 30 CDEDLP C#CCOC[C@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001251854430 950873705 /nfs/dbraw/zinc/87/37/05/950873705.db2.gz CNXHYCQNSJJQGU-QGZVFWFLSA-N 2 2 299.374 1.315 20 30 CDEDLP C#CCOC[C@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001251854430 950873730 /nfs/dbraw/zinc/87/37/30/950873730.db2.gz CNXHYCQNSJJQGU-QGZVFWFLSA-N 2 2 299.374 1.315 20 30 CDEDLP N#Cc1cccc(NC(=O)CC[NH2+]CCCn2cc[nH+]c2)c1 ZINC001329141436 955711144 /nfs/dbraw/zinc/71/11/44/955711144.db2.gz KNHWVEMJIHTJQZ-UHFFFAOYSA-N 2 2 297.362 1.763 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001439480613 963771498 /nfs/dbraw/zinc/77/14/98/963771498.db2.gz YTPUGWZTNBDPNY-CYBMUJFWSA-N 2 2 296.802 1.510 20 30 CDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001439671771 963835338 /nfs/dbraw/zinc/83/53/38/963835338.db2.gz SJFSYXLEOJOWSX-UHFFFAOYSA-N 2 2 296.802 1.344 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001399233788 976391241 /nfs/dbraw/zinc/39/12/41/976391241.db2.gz NPQNFMZZDCUUAQ-ZDUSSCGKSA-N 2 2 296.802 1.464 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001403134457 976753636 /nfs/dbraw/zinc/75/36/36/976753636.db2.gz IDGPGJPSWLKPQK-LBPRGKRZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001403134457 976753644 /nfs/dbraw/zinc/75/36/44/976753644.db2.gz IDGPGJPSWLKPQK-LBPRGKRZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001403134457 976753652 /nfs/dbraw/zinc/75/36/52/976753652.db2.gz IDGPGJPSWLKPQK-LBPRGKRZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001403134457 976753661 /nfs/dbraw/zinc/75/36/61/976753661.db2.gz IDGPGJPSWLKPQK-LBPRGKRZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135366 1163579804 /nfs/dbraw/zinc/57/98/04/1163579804.db2.gz PZZWYKKMRDSVJR-OLZOCXBDSA-N 2 2 276.384 1.212 20 30 CDEDLP C#CC[N@H+](Cc1cccc2nsnc21)C1CC[NH2+]CC1 ZINC001574672684 1170998885 /nfs/dbraw/zinc/99/88/85/1170998885.db2.gz CXHUZCVNHOBFMQ-UHFFFAOYSA-N 2 2 286.404 1.879 20 30 CDEDLP C#CC[N@@H+](Cc1cccc2nsnc21)C1CC[NH2+]CC1 ZINC001574672684 1170998892 /nfs/dbraw/zinc/99/88/92/1170998892.db2.gz CXHUZCVNHOBFMQ-UHFFFAOYSA-N 2 2 286.404 1.879 20 30 CDEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC000593319907 342788143 /nfs/dbraw/zinc/78/81/43/342788143.db2.gz FZINKNQOBDJZMB-UHFFFAOYSA-N 3 2 298.434 1.864 20 30 CDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000595325376 343036212 /nfs/dbraw/zinc/03/62/12/343036212.db2.gz GUMPHJBXEYEPEG-SFHVURJKSA-N 2 2 299.418 1.755 20 30 CDEDLP N#Cc1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000595325376 343036214 /nfs/dbraw/zinc/03/62/14/343036214.db2.gz GUMPHJBXEYEPEG-SFHVURJKSA-N 2 2 299.418 1.755 20 30 CDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595611905 343109164 /nfs/dbraw/zinc/10/91/64/343109164.db2.gz OWXOOQBHQSXOBM-CABCVRRESA-N 2 2 292.427 1.165 20 30 CDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595611905 343109165 /nfs/dbraw/zinc/10/91/65/343109165.db2.gz OWXOOQBHQSXOBM-CABCVRRESA-N 2 2 292.427 1.165 20 30 CDEDLP [O-]C(=[NH+]C[C@@H]1CC[N@@H+](C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000329814452 362059805 /nfs/dbraw/zinc/05/98/05/362059805.db2.gz DRQSPIRWSGOMQZ-LBPRGKRZSA-N 2 2 289.383 1.097 20 30 CDEDLP [O-]C(=[NH+]C[C@@H]1CC[N@H+](C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000329814452 362059810 /nfs/dbraw/zinc/05/98/10/362059810.db2.gz DRQSPIRWSGOMQZ-LBPRGKRZSA-N 2 2 289.383 1.097 20 30 CDEDLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595889629 343181647 /nfs/dbraw/zinc/18/16/47/343181647.db2.gz APBGOPYDMUFLBL-IUODEOHRSA-N 2 2 259.353 1.149 20 30 CDEDLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595889629 343181650 /nfs/dbraw/zinc/18/16/50/343181650.db2.gz APBGOPYDMUFLBL-IUODEOHRSA-N 2 2 259.353 1.149 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)C[NH+](C)C ZINC000602656443 344518251 /nfs/dbraw/zinc/51/82/51/344518251.db2.gz UIFRAVGHHBJFBS-OLZOCXBDSA-N 2 2 253.390 1.625 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000618888112 345419468 /nfs/dbraw/zinc/41/94/68/345419468.db2.gz NRLJOPCTDPAJMW-ZDUSSCGKSA-N 2 2 280.416 1.068 20 30 CDEDLP [NH2+]=C(NCCn1cc[nH+]c1)N[C@H]1CCOc2ccccc21 ZINC000083030028 347112052 /nfs/dbraw/zinc/11/20/52/347112052.db2.gz OPYLSENLJDMDLX-ZDUSSCGKSA-N 2 2 285.351 1.311 20 30 CDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264068739 362956857 /nfs/dbraw/zinc/95/68/57/362956857.db2.gz CLGGNPPNIYZUBL-UHFFFAOYSA-N 2 2 290.411 1.480 20 30 CDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264068739 362956862 /nfs/dbraw/zinc/95/68/62/362956862.db2.gz CLGGNPPNIYZUBL-UHFFFAOYSA-N 2 2 290.411 1.480 20 30 CDEDLP CCNC(NCCn1c(C)[nH+]c2ccccc21)=[NH+]CC ZINC000264141281 362976788 /nfs/dbraw/zinc/97/67/88/362976788.db2.gz WMAXFXLDMQIWDJ-UHFFFAOYSA-N 2 2 273.384 1.920 20 30 CDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000264140230 362976467 /nfs/dbraw/zinc/97/64/67/362976467.db2.gz WJFXCURAFNQTNI-ZDUSSCGKSA-N 2 2 262.401 1.992 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3cnccn23)CC1 ZINC000156787625 188281697 /nfs/dbraw/zinc/28/16/97/188281697.db2.gz FDFFLWUTNXGXJR-UHFFFAOYSA-N 2 2 285.395 1.859 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C#N ZINC000334558568 357603515 /nfs/dbraw/zinc/60/35/15/357603515.db2.gz DSWINOAQIXGFMN-CQSZACIVSA-N 2 2 260.385 1.813 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C#N ZINC000334558568 357603519 /nfs/dbraw/zinc/60/35/19/357603519.db2.gz DSWINOAQIXGFMN-CQSZACIVSA-N 2 2 260.385 1.813 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCCC#N)CC1 ZINC000570388134 363598330 /nfs/dbraw/zinc/59/83/30/363598330.db2.gz MEQBBTXADHZKAZ-CQSZACIVSA-N 2 2 265.401 1.865 20 30 CDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCCC#N)CC1 ZINC000570388134 363598336 /nfs/dbraw/zinc/59/83/36/363598336.db2.gz MEQBBTXADHZKAZ-CQSZACIVSA-N 2 2 265.401 1.865 20 30 CDEDLP C#CCC[NH+]1CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000272890214 359469428 /nfs/dbraw/zinc/46/94/28/359469428.db2.gz NNXYKUONTNQZBL-UHFFFAOYSA-N 2 2 258.369 1.493 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000337198518 360021406 /nfs/dbraw/zinc/02/14/06/360021406.db2.gz YDGFSGIGYDCLQX-HZPDHXFCSA-N 2 2 291.439 1.581 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000337198518 360021410 /nfs/dbraw/zinc/02/14/10/360021410.db2.gz YDGFSGIGYDCLQX-HZPDHXFCSA-N 2 2 291.439 1.581 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1=O ZINC000337200631 360022301 /nfs/dbraw/zinc/02/23/01/360022301.db2.gz ZUNVQVXWTMMZHE-HOTGVXAUSA-N 2 2 291.439 1.724 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1=O ZINC000337200631 360022303 /nfs/dbraw/zinc/02/23/03/360022303.db2.gz ZUNVQVXWTMMZHE-HOTGVXAUSA-N 2 2 291.439 1.724 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)CCC[NH+]2CCCCC2)C1=O ZINC000337224292 360036201 /nfs/dbraw/zinc/03/62/01/360036201.db2.gz NIAFZCDHVLPPFS-HNNXBMFYSA-N 2 2 279.428 1.581 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1=O ZINC000337224292 360036205 /nfs/dbraw/zinc/03/62/05/360036205.db2.gz NIAFZCDHVLPPFS-HNNXBMFYSA-N 2 2 279.428 1.581 20 30 CDEDLP C=CC[N@@H+](C)CCN(CC)Cc1[nH+]ccn1CC ZINC000429708611 360870041 /nfs/dbraw/zinc/87/00/41/360870041.db2.gz NENQRYVQDJDQNH-UHFFFAOYSA-N 2 2 250.390 1.843 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)Cc1[nH+]ccn1CC ZINC000429708611 360870044 /nfs/dbraw/zinc/87/00/44/360870044.db2.gz NENQRYVQDJDQNH-UHFFFAOYSA-N 2 2 250.390 1.843 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)CC1 ZINC000638524104 370718322 /nfs/dbraw/zinc/71/83/22/370718322.db2.gz LRLIZAYWHRPBCF-DZGCQCFKSA-N 2 2 279.428 1.674 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)Cc2ccccc2)CC1 ZINC000490780894 364325054 /nfs/dbraw/zinc/32/50/54/364325054.db2.gz SQJKYOGLWBBTPI-UHFFFAOYSA-N 2 2 299.418 1.286 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)Cc2ccccc2)CC1 ZINC000490780894 364325060 /nfs/dbraw/zinc/32/50/60/364325060.db2.gz SQJKYOGLWBBTPI-UHFFFAOYSA-N 2 2 299.418 1.286 20 30 CDEDLP C[NH+]=C(NCCCNc1cccc[nH+]1)NCc1ccco1 ZINC000171409882 365274626 /nfs/dbraw/zinc/27/46/26/365274626.db2.gz OQZIOCXODAUKMX-UHFFFAOYSA-N 2 2 287.367 1.842 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(C#N)c(F)c1 ZINC000271935490 367036209 /nfs/dbraw/zinc/03/62/09/367036209.db2.gz JWTIUWZKYRBBEA-WFASDCNBSA-N 2 2 290.386 1.594 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)c(F)c1 ZINC000271935490 367036215 /nfs/dbraw/zinc/03/62/15/367036215.db2.gz JWTIUWZKYRBBEA-WFASDCNBSA-N 2 2 290.386 1.594 20 30 CDEDLP C=C(CC)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000578064670 372249895 /nfs/dbraw/zinc/24/98/95/372249895.db2.gz PCMMHZMIGZZEHW-MCIONIFRSA-N 2 2 256.390 1.012 20 30 CDEDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(C#N)cc1 ZINC000423530244 374388810 /nfs/dbraw/zinc/38/88/10/374388810.db2.gz YPVOTUKUQMZWGM-HOTGVXAUSA-N 2 2 272.396 1.503 20 30 CDEDLP CN(c1ncccc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377672309 374615110 /nfs/dbraw/zinc/61/51/10/374615110.db2.gz VFPWCGCCVYCBMN-MRXNPFEDSA-N 2 2 299.422 1.558 20 30 CDEDLP CN(c1ncccc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377672309 374615114 /nfs/dbraw/zinc/61/51/14/374615114.db2.gz VFPWCGCCVYCBMN-MRXNPFEDSA-N 2 2 299.422 1.558 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246280498 376601470 /nfs/dbraw/zinc/60/14/70/376601470.db2.gz AWRUEGOEWICOQO-ZFWWWQNUSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246280498 376601478 /nfs/dbraw/zinc/60/14/78/376601478.db2.gz AWRUEGOEWICOQO-ZFWWWQNUSA-N 2 2 277.412 1.237 20 30 CDEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246280498 376601486 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C[C@@H](C#N)C[N@@H+](C)CCOCC[NH+](C)C[C@H](C)C#N ZINC000343417859 378865308 /nfs/dbraw/zinc/86/53/08/378865308.db2.gz FMHOHDWHBULSSG-OKILXGFUSA-N 2 2 266.389 1.186 20 30 CDEDLP C[C@@H](C#N)C[N@H+](C)CCOCC[NH+](C)C[C@H](C)C#N ZINC000343417859 378865312 /nfs/dbraw/zinc/86/53/12/378865312.db2.gz FMHOHDWHBULSSG-OKILXGFUSA-N 2 2 266.389 1.186 20 30 CDEDLP C[NH+](C)C1CC[NH+](CCNc2cc(C#N)ccn2)CC1 ZINC000288216849 197029321 /nfs/dbraw/zinc/02/93/21/197029321.db2.gz DMYJTNZDXNEIMT-UHFFFAOYSA-N 2 2 273.384 1.391 20 30 CDEDLP O=C(NC1CC[NH+](C2CC2)CC1)N1CCn2cc[nH+]c2C1 ZINC000329439959 390988302 /nfs/dbraw/zinc/98/83/02/390988302.db2.gz MUDBQIMOAUPMHS-UHFFFAOYSA-N 2 2 289.383 1.240 20 30 CDEDLP O=C(NCCNc1cccc[nH+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329489385 390998081 /nfs/dbraw/zinc/99/80/81/390998081.db2.gz YKSFVLMYHQEXGO-GFCCVEGCSA-N 2 2 289.383 1.234 20 30 CDEDLP O=C(NCCNc1cccc[nH+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329489385 390998088 /nfs/dbraw/zinc/99/80/88/390998088.db2.gz YKSFVLMYHQEXGO-GFCCVEGCSA-N 2 2 289.383 1.234 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000491440639 391129925 /nfs/dbraw/zinc/12/99/25/391129925.db2.gz QDVKEMHWTUEKEL-GJZGRUSLSA-N 2 2 291.439 1.178 20 30 CDEDLP C=CCCCC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000648437344 391320431 /nfs/dbraw/zinc/32/04/31/391320431.db2.gz WFLDXRNWZJIQBK-CQSZACIVSA-N 2 2 267.417 1.485 20 30 CDEDLP C[NH+]=C(NC[C@@H](c1ccccc1)[NH+](C)C)NC1CC1 ZINC000103337725 260611696 /nfs/dbraw/zinc/61/16/96/260611696.db2.gz LDINJCNNJNANLH-AWEZNQCLSA-N 2 2 260.385 1.617 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000490853490 261226866 /nfs/dbraw/zinc/22/68/66/261226866.db2.gz RSHCHGICIXWISK-OAHLLOKOSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000490853490 261226868 /nfs/dbraw/zinc/22/68/68/261226868.db2.gz RSHCHGICIXWISK-OAHLLOKOSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000491019459 261297772 /nfs/dbraw/zinc/29/77/72/261297772.db2.gz AMLWGPVSKPGMLP-ARFHVFGLSA-N 2 2 291.439 1.178 20 30 CDEDLP C=CC[C@H](C)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342802237 263489362 /nfs/dbraw/zinc/48/93/62/263489362.db2.gz JRHVTVNDKWVNJI-ZDUSSCGKSA-N 2 2 268.401 1.958 20 30 CDEDLP C=CC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369437351 267243085 /nfs/dbraw/zinc/24/30/85/267243085.db2.gz WXWUHLWMYNXCNW-KBPBESRZSA-N 2 2 294.443 1.419 20 30 CDEDLP C=CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369437351 267243089 /nfs/dbraw/zinc/24/30/89/267243089.db2.gz WXWUHLWMYNXCNW-KBPBESRZSA-N 2 2 294.443 1.419 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C#N)c(F)c1 ZINC000567490906 293795183 /nfs/dbraw/zinc/79/51/83/293795183.db2.gz XFFMBZBFEXVQJW-SMDDNHRTSA-N 2 2 277.343 1.726 20 30 CDEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000577221071 317288834 /nfs/dbraw/zinc/28/88/34/317288834.db2.gz CHLJOLLTRUDFHS-UHFFFAOYSA-N 2 2 298.394 1.519 20 30 CDEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000577221071 317288836 /nfs/dbraw/zinc/28/88/36/317288836.db2.gz CHLJOLLTRUDFHS-UHFFFAOYSA-N 2 2 298.394 1.519 20 30 CDEDLP C=CCOCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000563545987 328072857 /nfs/dbraw/zinc/07/28/57/328072857.db2.gz UFDRZUYEQBVROO-UHFFFAOYSA-N 2 2 256.390 1.014 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173922058 329153695 /nfs/dbraw/zinc/15/36/95/329153695.db2.gz GXFQBYLLEJSMLZ-OAHLLOKOSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173922058 329153696 /nfs/dbraw/zinc/15/36/96/329153696.db2.gz GXFQBYLLEJSMLZ-OAHLLOKOSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173922058 329153697 /nfs/dbraw/zinc/15/36/97/329153697.db2.gz GXFQBYLLEJSMLZ-OAHLLOKOSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173922058 329153698 /nfs/dbraw/zinc/15/36/98/329153698.db2.gz GXFQBYLLEJSMLZ-OAHLLOKOSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419725311 329744777 /nfs/dbraw/zinc/74/47/77/329744777.db2.gz IGWSARLAEOUQEO-TZMCWYRMSA-N 2 2 278.400 1.557 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000490780364 332115196 /nfs/dbraw/zinc/11/51/96/332115196.db2.gz KONDJMXVIYJNPH-HZPDHXFCSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000490780364 332115198 /nfs/dbraw/zinc/11/51/98/332115198.db2.gz KONDJMXVIYJNPH-HZPDHXFCSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@@H](C)C(C)C)CC1 ZINC000490852864 332121093 /nfs/dbraw/zinc/12/10/93/332121093.db2.gz ONNXPRWTWMUTHM-HNNXBMFYSA-N 2 2 279.428 1.130 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@@H](C)C(C)C)CC1 ZINC000490852864 332121095 /nfs/dbraw/zinc/12/10/95/332121095.db2.gz ONNXPRWTWMUTHM-HNNXBMFYSA-N 2 2 279.428 1.130 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000491483829 332219503 /nfs/dbraw/zinc/21/95/03/332219503.db2.gz FNLQMMDEUJLHMD-NVXWUHKLSA-N 2 2 299.418 1.379 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000491483829 332219504 /nfs/dbraw/zinc/21/95/04/332219504.db2.gz FNLQMMDEUJLHMD-NVXWUHKLSA-N 2 2 299.418 1.379 20 30 CDEDLP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001753811601 1159913273 /nfs/dbraw/zinc/91/32/73/1159913273.db2.gz KVOYMNRCXWVDJV-ZFWWWQNUSA-N 2 2 288.395 1.192 20 30 CDEDLP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001753857638 1159926887 /nfs/dbraw/zinc/92/68/87/1159926887.db2.gz WGADKMMDMVFTOI-CQSZACIVSA-N 2 2 290.411 1.412 20 30 CDEDLP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001753857638 1159926889 /nfs/dbraw/zinc/92/68/89/1159926889.db2.gz WGADKMMDMVFTOI-CQSZACIVSA-N 2 2 290.411 1.412 20 30 CDEDLP CCN(CC)c1ccc(C=[NH+]NC(N)=[NH2+])cc1F ZINC000739403251 576226531 /nfs/dbraw/zinc/22/65/31/576226531.db2.gz VMBIOTONCGVQBJ-UHFFFAOYSA-N 2 2 251.309 1.489 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2(C)COC2)cc1 ZINC000747838678 576886834 /nfs/dbraw/zinc/88/68/34/576886834.db2.gz HMNRYCLJNFHMOC-UHFFFAOYSA-N 2 2 277.368 1.422 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459561 613214425 /nfs/dbraw/zinc/21/44/25/613214425.db2.gz MSNLVZHPDGFNDU-CVEARBPZSA-N 2 2 291.439 1.178 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459561 613214426 /nfs/dbraw/zinc/21/44/26/613214426.db2.gz MSNLVZHPDGFNDU-CVEARBPZSA-N 2 2 291.439 1.178 20 30 CDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981080186 613251836 /nfs/dbraw/zinc/25/18/36/613251836.db2.gz SIPBPIBNYVEIIW-UHFFFAOYSA-N 2 2 290.411 1.843 20 30 CDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981080186 613251837 /nfs/dbraw/zinc/25/18/37/613251837.db2.gz SIPBPIBNYVEIIW-UHFFFAOYSA-N 2 2 290.411 1.843 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723173 613284128 /nfs/dbraw/zinc/28/41/28/613284128.db2.gz HNWHMEIQRANZFU-CYBMUJFWSA-N 2 2 276.384 1.071 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723173 613284129 /nfs/dbraw/zinc/28/41/29/613284129.db2.gz HNWHMEIQRANZFU-CYBMUJFWSA-N 2 2 276.384 1.071 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000949619903 613315673 /nfs/dbraw/zinc/31/56/73/613315673.db2.gz CBMXTOLLSIMQJC-UHFFFAOYSA-N 2 2 279.428 1.581 20 30 CDEDLP C=CC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977534903 613826816 /nfs/dbraw/zinc/82/68/16/613826816.db2.gz NDVJQKDFEBTKGQ-ZDUSSCGKSA-N 2 2 276.384 1.273 20 30 CDEDLP C=CC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977534903 613826817 /nfs/dbraw/zinc/82/68/17/613826817.db2.gz NDVJQKDFEBTKGQ-ZDUSSCGKSA-N 2 2 276.384 1.273 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000970465267 613866352 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C=CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021123 1163534653 /nfs/dbraw/zinc/53/46/53/1163534653.db2.gz JGWKEZDJTKPMSH-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135580 1163578904 /nfs/dbraw/zinc/57/89/04/1163578904.db2.gz UHKNGOWWGZFRHT-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP N#CCc1cc[nH+]c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1 ZINC001155620107 1167261887 /nfs/dbraw/zinc/26/18/87/1167261887.db2.gz JRPYHFCDBHMTLH-DZGCQCFKSA-N 2 2 272.352 1.471 20 30 CDEDLP C#CCOc1ccc(C[NH2+][C@@H](C)[C@H]2C[NH2+]CCO2)cc1 ZINC001573307407 1170652501 /nfs/dbraw/zinc/65/25/01/1170652501.db2.gz SNAVDOSKIROHNJ-XJKSGUPXSA-N 2 2 274.364 1.165 20 30 CDEDLP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001752979869 1184982593 /nfs/dbraw/zinc/98/25/93/1184982593.db2.gz GYJSOGLHAXYSFV-KBPBESRZSA-N 2 2 290.411 1.854 20 30 CDEDLP Cc1ccc([C@H](CNC(=[NH2+])N2CCOCC2)[NH+](C)C)cc1 ZINC000104176081 828833045 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VJHQBBUGMLSGIV-UHFFFAOYSA-N 2 2 254.337 1.835 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC001087847870 905904243 /nfs/dbraw/zinc/90/42/43/905904243.db2.gz VUTVXSHQTMPLSU-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC001087847870 905904248 /nfs/dbraw/zinc/90/42/48/905904248.db2.gz VUTVXSHQTMPLSU-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204792175 906636468 /nfs/dbraw/zinc/63/64/68/906636468.db2.gz UYSWAMLYLKBLQC-INIZCTEOSA-N 2 2 272.396 1.960 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204792175 906636475 /nfs/dbraw/zinc/63/64/75/906636475.db2.gz UYSWAMLYLKBLQC-INIZCTEOSA-N 2 2 272.396 1.960 20 30 CDEDLP C=C[C@H]1C[C@]1([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OCC ZINC001168303982 908946755 /nfs/dbraw/zinc/94/67/55/908946755.db2.gz IHUJUSGVMLTTKR-WLIAPVHPSA-N 2 2 280.412 1.957 20 30 CDEDLP C=CC[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649603 915548094 /nfs/dbraw/zinc/54/80/94/915548094.db2.gz QQHMUYNQYRJEIP-UHFFFAOYSA-N 2 2 278.400 1.795 20 30 CDEDLP C=CC[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649603 915548101 /nfs/dbraw/zinc/54/81/01/915548101.db2.gz QQHMUYNQYRJEIP-UHFFFAOYSA-N 2 2 278.400 1.795 20 30 CDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179691779 915930753 /nfs/dbraw/zinc/93/07/53/915930753.db2.gz ANUCMQLEUWCVQZ-IPYPFGDCSA-N 2 2 288.395 1.191 20 30 CDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179691779 915930761 /nfs/dbraw/zinc/93/07/61/915930761.db2.gz ANUCMQLEUWCVQZ-IPYPFGDCSA-N 2 2 288.395 1.191 20 30 CDEDLP CC1(C[NH3+])C[NH+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001206722496 936373419 /nfs/dbraw/zinc/37/34/19/936373419.db2.gz BLQNJHOIMLVNGU-UHFFFAOYSA-N 2 2 254.337 1.820 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115177 918307358 /nfs/dbraw/zinc/30/73/58/918307358.db2.gz DVNZKPCEOWQEPB-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183115177 918307371 /nfs/dbraw/zinc/30/73/71/918307371.db2.gz DVNZKPCEOWQEPB-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185786722 919750386 /nfs/dbraw/zinc/75/03/86/919750386.db2.gz AFCVXQOQXHWTKY-CABCVRRESA-N 2 2 290.411 1.533 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185790196 919755956 /nfs/dbraw/zinc/75/59/56/919755956.db2.gz YLOCZNLLRIIBQP-KGLIPLIRSA-N 2 2 276.384 1.143 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188354446 921009126 /nfs/dbraw/zinc/00/91/26/921009126.db2.gz UOGHMIIGPTWONV-CYBMUJFWSA-N 2 2 296.802 1.606 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551108 923130655 /nfs/dbraw/zinc/13/06/55/923130655.db2.gz NUGJOUIIRWDBDJ-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551108 923130665 /nfs/dbraw/zinc/13/06/65/923130665.db2.gz NUGJOUIIRWDBDJ-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192579347 923154583 /nfs/dbraw/zinc/15/45/83/923154583.db2.gz ZGPLWSCFTCHPQG-GJZGRUSLSA-N 2 2 288.395 1.390 20 30 CDEDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001203764341 923236110 /nfs/dbraw/zinc/23/61/10/923236110.db2.gz MRAWAFNTDHRVMD-HZPDHXFCSA-N 2 2 255.365 1.942 20 30 CDEDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001203764341 923236121 /nfs/dbraw/zinc/23/61/21/923236121.db2.gz MRAWAFNTDHRVMD-HZPDHXFCSA-N 2 2 255.365 1.942 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962597 924455910 /nfs/dbraw/zinc/45/59/10/924455910.db2.gz SDVKVOUISJUAGJ-MLGOLLRUSA-N 2 2 296.374 1.636 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962597 924455913 /nfs/dbraw/zinc/45/59/13/924455913.db2.gz SDVKVOUISJUAGJ-MLGOLLRUSA-N 2 2 296.374 1.636 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001082751376 924990749 /nfs/dbraw/zinc/99/07/49/924990749.db2.gz YIQNPIDLUOGBKD-AAVRWANBSA-N 2 2 288.395 1.146 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102925433 937097933 /nfs/dbraw/zinc/09/79/33/937097933.db2.gz VYDIEWZLMSTHRE-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102925433 937097936 /nfs/dbraw/zinc/09/79/36/937097936.db2.gz VYDIEWZLMSTHRE-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086127752 926733237 /nfs/dbraw/zinc/73/32/37/926733237.db2.gz UHGUBBUKZGCVEM-MCIONIFRSA-N 2 2 288.395 1.116 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574213 937147999 /nfs/dbraw/zinc/14/79/99/937147999.db2.gz FUFUIXZRAWMVCW-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574213 937148002 /nfs/dbraw/zinc/14/80/02/937148002.db2.gz FUFUIXZRAWMVCW-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136051589 930623254 /nfs/dbraw/zinc/62/32/54/930623254.db2.gz CWQQCEPURSDYBB-QWHCGFSZSA-N 2 2 278.400 1.412 20 30 CDEDLP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707061 932285747 /nfs/dbraw/zinc/28/57/47/932285747.db2.gz NPDVCXLQNTZCKW-KBPBESRZSA-N 2 2 276.384 1.169 20 30 CDEDLP N#CCc1cc[nH+]c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1 ZINC001155826784 937677830 /nfs/dbraw/zinc/67/78/30/937677830.db2.gz SDOKTUDQLJTUMM-GOEBONIOSA-N 2 2 286.379 1.861 20 30 CDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043974508 935847144 /nfs/dbraw/zinc/84/71/44/935847144.db2.gz DPMRFLFWFJJJRD-UHFFFAOYSA-N 2 2 262.357 1.061 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001044877392 935871853 /nfs/dbraw/zinc/87/18/53/935871853.db2.gz GXERGGZRTSLIPR-CHWSQXEVSA-N 2 2 296.802 1.605 20 30 CDEDLP N#C[C@@H]1CCCCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160636978 938805481 /nfs/dbraw/zinc/80/54/81/938805481.db2.gz MIVBONYEIBSBRA-KBPBESRZSA-N 2 2 272.352 1.163 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161314950 938887347 /nfs/dbraw/zinc/88/73/47/938887347.db2.gz LRPNJHYAVVXMQG-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164334804 939458077 /nfs/dbraw/zinc/45/80/77/939458077.db2.gz JUIOECVZDGLDOS-UHFFFAOYSA-N 2 2 290.411 1.795 20 30 CDEDLP C=CCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206409584 940034183 /nfs/dbraw/zinc/03/41/83/940034183.db2.gz IQHSMDGEOJDAAU-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP C[NH+]1CCC(CC[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001207481374 940205294 /nfs/dbraw/zinc/20/52/94/940205294.db2.gz DMRMVHFVIXFGHH-AWEZNQCLSA-N 2 2 280.437 1.992 20 30 CDEDLP C[NH+]1CCC(CC[N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001207481374 940205296 /nfs/dbraw/zinc/20/52/96/940205296.db2.gz DMRMVHFVIXFGHH-AWEZNQCLSA-N 2 2 280.437 1.992 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924350 940263431 /nfs/dbraw/zinc/26/34/31/940263431.db2.gz LSTHBRMOWZFBPY-CQSZACIVSA-N 2 2 290.411 1.889 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299164 940316409 /nfs/dbraw/zinc/31/64/09/940316409.db2.gz LAMJWCLQOMQXGG-AWEZNQCLSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299164 940316411 /nfs/dbraw/zinc/31/64/11/940316411.db2.gz LAMJWCLQOMQXGG-AWEZNQCLSA-N 2 2 276.384 1.499 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420489 940330268 /nfs/dbraw/zinc/33/02/68/940330268.db2.gz MTCDMGCVUCSBDX-CQSZACIVSA-N 2 2 296.374 1.780 20 30 CDEDLP C=CCN(CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(=O)OCC ZINC001209022801 940425997 /nfs/dbraw/zinc/42/59/97/940425997.db2.gz UMJHARIBPLIWQD-OKILXGFUSA-N 2 2 281.400 1.124 20 30 CDEDLP C=CCN(CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(=O)OCC ZINC001209022801 940425999 /nfs/dbraw/zinc/42/59/99/940425999.db2.gz UMJHARIBPLIWQD-OKILXGFUSA-N 2 2 281.400 1.124 20 30 CDEDLP C=CCN(CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C(=O)OCC ZINC001209022801 940426000 /nfs/dbraw/zinc/42/60/00/940426000.db2.gz UMJHARIBPLIWQD-OKILXGFUSA-N 2 2 281.400 1.124 20 30 CDEDLP C=CCN(CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C(=O)OCC ZINC001209022801 940426002 /nfs/dbraw/zinc/42/60/02/940426002.db2.gz UMJHARIBPLIWQD-OKILXGFUSA-N 2 2 281.400 1.124 20 30 CDEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001229355650 942457897 /nfs/dbraw/zinc/45/78/97/942457897.db2.gz HUJPBMSJPFREET-CYBMUJFWSA-N 2 2 290.411 1.888 20 30 CDEDLP N#Cc1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1Cl ZINC001235992176 944357728 /nfs/dbraw/zinc/35/77/28/944357728.db2.gz APBHZFLDQRVWIN-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1Cl ZINC001235992176 944357734 /nfs/dbraw/zinc/35/77/34/944357734.db2.gz APBHZFLDQRVWIN-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246012597 947892033 /nfs/dbraw/zinc/89/20/33/947892033.db2.gz BJXBSBYPNKQBFU-CABCVRRESA-N 2 2 271.449 1.249 20 30 CDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001325743067 954053317 /nfs/dbraw/zinc/05/33/17/954053317.db2.gz JDUDAKDXBSYTEJ-DOMZBBRYSA-N 2 2 259.353 1.677 20 30 CDEDLP N#CCCC[C@H]([NH3+])c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001326488007 954402983 /nfs/dbraw/zinc/40/29/83/954402983.db2.gz XAFBNIRNGFTKSZ-RYUDHWBXSA-N 2 2 271.324 1.811 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001419495641 961762480 /nfs/dbraw/zinc/76/24/80/961762480.db2.gz QTFLEXBJKUIPRB-LLVKDONJSA-N 2 2 284.791 1.368 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001442166994 964896142 /nfs/dbraw/zinc/89/61/42/964896142.db2.gz VAMABRPSDFJBER-LBPRGKRZSA-N 2 2 298.818 1.825 20 30 CDEDLP C=C(Cl)C[N@H+](CCC)CCNC(=O)Cn1cc[nH+]c1C ZINC001442972055 965298072 /nfs/dbraw/zinc/29/80/72/965298072.db2.gz GVMHQUJCFAPTGS-UHFFFAOYSA-N 2 2 298.818 1.772 20 30 CDEDLP C=C(Cl)C[N@@H+](CCC)CCNC(=O)Cn1cc[nH+]c1C ZINC001442972055 965298081 /nfs/dbraw/zinc/29/80/81/965298081.db2.gz GVMHQUJCFAPTGS-UHFFFAOYSA-N 2 2 298.818 1.772 20 30 CDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)CC1 ZINC001451679185 967990798 /nfs/dbraw/zinc/99/07/98/967990798.db2.gz ZKHMLSDZTVZNOO-CQSZACIVSA-N 2 2 292.427 1.165 20 30 CDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)CC1 ZINC001451679185 967990806 /nfs/dbraw/zinc/99/08/06/967990806.db2.gz ZKHMLSDZTVZNOO-CQSZACIVSA-N 2 2 292.427 1.165 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100706538 968989124 /nfs/dbraw/zinc/98/91/24/968989124.db2.gz MBFPPFOONJKWHI-UHFFFAOYSA-N 2 2 262.357 1.013 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001357369309 969576735 /nfs/dbraw/zinc/57/67/35/969576735.db2.gz VXHQXRJVHHICRR-CHWSQXEVSA-N 2 2 264.373 1.319 20 30 CDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000311151214 342145675 /nfs/dbraw/zinc/14/56/75/342145675.db2.gz NCILOPBQRWUPRG-ZDUSSCGKSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000311151214 342145676 /nfs/dbraw/zinc/14/56/76/342145676.db2.gz NCILOPBQRWUPRG-ZDUSSCGKSA-N 2 2 253.390 1.313 20 30 CDEDLP C[NH+]1CCN(C[C@@H]([NH2+]CCC#N)c2ccccc2)CC1 ZINC000591733530 342644712 /nfs/dbraw/zinc/64/47/12/342644712.db2.gz CGZGQLXHLNPLST-MRXNPFEDSA-N 2 2 272.396 1.478 20 30 CDEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000591764715 342645780 /nfs/dbraw/zinc/64/57/80/342645780.db2.gz MRQAUOCZYPVUCM-OAHLLOKOSA-N 2 2 273.380 1.373 20 30 CDEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000591764715 342645781 /nfs/dbraw/zinc/64/57/81/342645781.db2.gz MRQAUOCZYPVUCM-OAHLLOKOSA-N 2 2 273.380 1.373 20 30 CDEDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593970989 342858705 /nfs/dbraw/zinc/85/87/05/342858705.db2.gz BKKXUCCWCXXDLX-BBRMVZONSA-N 2 2 291.395 1.148 20 30 CDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593970989 342858706 /nfs/dbraw/zinc/85/87/06/342858706.db2.gz BKKXUCCWCXXDLX-BBRMVZONSA-N 2 2 291.395 1.148 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC3(C#N)CCC3)C2)CC1 ZINC000595311377 343032562 /nfs/dbraw/zinc/03/25/62/343032562.db2.gz GGDIKRIWYJLULH-HNNXBMFYSA-N 2 2 276.428 1.392 20 30 CDEDLP N#Cc1cccc(NC(=O)CC[N@@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000599421167 344053006 /nfs/dbraw/zinc/05/30/06/344053006.db2.gz GZIABRZCKZKTRO-UHFFFAOYSA-N 2 2 295.346 1.668 20 30 CDEDLP N#Cc1cccc(NC(=O)CC[N@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000599421167 344053007 /nfs/dbraw/zinc/05/30/07/344053007.db2.gz GZIABRZCKZKTRO-UHFFFAOYSA-N 2 2 295.346 1.668 20 30 CDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(C#N)CCC3)c2)CC1 ZINC000601806023 344265688 /nfs/dbraw/zinc/26/56/88/344265688.db2.gz PLOOSSXCQMQSPP-UHFFFAOYSA-N 2 2 299.378 1.466 20 30 CDEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000602658556 344519523 /nfs/dbraw/zinc/51/95/23/344519523.db2.gz LDFLKVMHZSZWLF-HZPDHXFCSA-N 2 2 279.428 1.970 20 30 CDEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000602658556 344519525 /nfs/dbraw/zinc/51/95/25/344519525.db2.gz LDFLKVMHZSZWLF-HZPDHXFCSA-N 2 2 279.428 1.970 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000619719684 348191680 /nfs/dbraw/zinc/19/16/80/348191680.db2.gz UPFWBBXKXGNKBV-JHJVBQTASA-N 2 2 263.341 1.494 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000619719684 348191685 /nfs/dbraw/zinc/19/16/85/348191685.db2.gz UPFWBBXKXGNKBV-JHJVBQTASA-N 2 2 263.341 1.494 20 30 CDEDLP COCC[N@@H+](CCC#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000616016008 349243693 /nfs/dbraw/zinc/24/36/93/349243693.db2.gz KIDSWZBPKAQRFA-UHFFFAOYSA-N 2 2 296.459 1.265 20 30 CDEDLP COCC[N@H+](CCC#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000616016008 349243696 /nfs/dbraw/zinc/24/36/96/349243696.db2.gz KIDSWZBPKAQRFA-UHFFFAOYSA-N 2 2 296.459 1.265 20 30 CDEDLP CC(C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181732782 357376227 /nfs/dbraw/zinc/37/62/27/357376227.db2.gz ZEEQPOOKASSZHW-UHFFFAOYSA-N 2 2 287.407 1.883 20 30 CDEDLP C#CCC[NH+]1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000265397073 359327986 /nfs/dbraw/zinc/32/79/86/359327986.db2.gz WQXLTZSYLRRSOM-UHFFFAOYSA-N 2 2 270.380 1.808 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277175724 359556952 /nfs/dbraw/zinc/55/69/52/359556952.db2.gz KWTQAHXFERSNTL-HZPDHXFCSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277175724 359556958 /nfs/dbraw/zinc/55/69/58/359556958.db2.gz KWTQAHXFERSNTL-HZPDHXFCSA-N 2 2 293.455 1.992 20 30 CDEDLP C=C(CC)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337419132 360116291 /nfs/dbraw/zinc/11/62/91/360116291.db2.gz SZWCBLKOHSSBLS-OAHLLOKOSA-N 2 2 252.402 1.997 20 30 CDEDLP C=C(CC)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337419132 360116296 /nfs/dbraw/zinc/11/62/96/360116296.db2.gz SZWCBLKOHSSBLS-OAHLLOKOSA-N 2 2 252.402 1.997 20 30 CDEDLP COc1ccc([C@H](CNC(=[NH2+])N(C)C)[NH+](C)C)cc1OC ZINC000170906179 365157918 /nfs/dbraw/zinc/15/79/18/365157918.db2.gz ZSGQGTRVZSFGAU-LBPRGKRZSA-N 2 2 294.399 1.183 20 30 CDEDLP CC#CC[NH2+]Cc1cn(C[C@@H]2CCCC[N@@H+]2C(C)C)nn1 ZINC000641168377 365147168 /nfs/dbraw/zinc/14/71/68/365147168.db2.gz CXCPGHYHVBXPTQ-INIZCTEOSA-N 2 2 289.427 1.654 20 30 CDEDLP CC#CC[NH2+]Cc1cn(C[C@@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641168377 365147174 /nfs/dbraw/zinc/14/71/74/365147174.db2.gz CXCPGHYHVBXPTQ-INIZCTEOSA-N 2 2 289.427 1.654 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000578135918 372307637 /nfs/dbraw/zinc/30/76/37/372307637.db2.gz UCUHPGDJFDJACR-ZDUSSCGKSA-N 2 2 265.401 1.505 20 30 CDEDLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000328856397 375988103 /nfs/dbraw/zinc/98/81/03/375988103.db2.gz UFVIUJXDEMERIR-UHFFFAOYSA-N 2 2 280.372 1.032 20 30 CDEDLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+]1CCCOCC1 ZINC000328856397 375988107 /nfs/dbraw/zinc/98/81/07/375988107.db2.gz UFVIUJXDEMERIR-UHFFFAOYSA-N 2 2 280.372 1.032 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718448 376803745 /nfs/dbraw/zinc/80/37/45/376803745.db2.gz MXFXZMZFWCYNIQ-LSDHHAIUSA-N 2 2 279.428 1.485 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718448 376803748 /nfs/dbraw/zinc/80/37/48/376803748.db2.gz MXFXZMZFWCYNIQ-LSDHHAIUSA-N 2 2 279.428 1.485 20 30 CDEDLP N#CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000343521068 378919509 /nfs/dbraw/zinc/91/95/09/378919509.db2.gz FWODGZDAFOXFLS-SFHVURJKSA-N 2 2 299.418 1.907 20 30 CDEDLP N#CCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000343521068 378919515 /nfs/dbraw/zinc/91/95/15/378919515.db2.gz FWODGZDAFOXFLS-SFHVURJKSA-N 2 2 299.418 1.907 20 30 CDEDLP CCc1ccc([C@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1 ZINC000262681947 391811936 /nfs/dbraw/zinc/81/19/36/391811936.db2.gz WPAOSJTXTJKTJA-DOMZBBRYSA-N 2 2 274.412 1.789 20 30 CDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@@H]1C ZINC000262686347 391812898 /nfs/dbraw/zinc/81/28/98/391812898.db2.gz AQRKBNSUMSGHQM-CMPLNLGQSA-N 2 2 261.373 1.293 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)CC(N)=O)C(C)C ZINC000268802824 132068429 /nfs/dbraw/zinc/06/84/29/132068429.db2.gz IBBHLIKMKKIQPQ-ZIAGYGMSSA-N 2 2 267.417 1.539 20 30 CDEDLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c(C#N)cn1 ZINC000425239840 393002409 /nfs/dbraw/zinc/00/24/09/393002409.db2.gz XLSDOCMTCPKQNB-UHFFFAOYSA-N 2 2 287.411 1.122 20 30 CDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](CCC)CC2)nn1 ZINC000657294046 414120601 /nfs/dbraw/zinc/12/06/01/414120601.db2.gz BEBIFPYWMSZUQP-UHFFFAOYSA-N 2 2 277.416 1.818 20 30 CDEDLP COc1cccc(C(N)=[NH+]OCC[NH+]2CCCCC2)c1 ZINC000194400825 262237312 /nfs/dbraw/zinc/23/73/12/262237312.db2.gz FXZXZRHASMJKEA-UHFFFAOYSA-N 2 2 277.368 1.818 20 30 CDEDLP CCNC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264126811 262876978 /nfs/dbraw/zinc/87/69/78/262876978.db2.gz SJJMWYIEQONXDN-LBPRGKRZSA-N 2 2 252.337 1.353 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000563422866 328064194 /nfs/dbraw/zinc/06/41/94/328064194.db2.gz HHXWQSSKRILGJF-UKRRQHHQSA-N 3 2 251.418 1.886 20 30 CDEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCc2ccccc21 ZINC000261902266 329988618 /nfs/dbraw/zinc/98/86/18/329988618.db2.gz WWYBRWAJGSNXTD-UHFFFAOYSA-N 2 2 272.396 1.720 20 30 CDEDLP CC(C)NC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000263233000 330049813 /nfs/dbraw/zinc/04/98/13/330049813.db2.gz IQJSLTAGKOHEJC-RYUDHWBXSA-N 2 2 270.421 1.187 20 30 CDEDLP Cc1cn2cc(NC(=O)[C@@H]([NH3+])CCCC#N)ccc2[nH+]1 ZINC000424161286 330306905 /nfs/dbraw/zinc/30/69/05/330306905.db2.gz VMZMYQJKFCIACU-LBPRGKRZSA-N 2 2 271.324 1.602 20 30 CDEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442845310 330786488 /nfs/dbraw/zinc/78/64/88/330786488.db2.gz HPGGFGRKHHJUBM-MCIONIFRSA-N 2 2 251.374 1.379 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(CC)CCCC2)CC1 ZINC000491473411 332217684 /nfs/dbraw/zinc/21/76/84/332217684.db2.gz DBHHHUUQVWRHMF-UHFFFAOYSA-N 2 2 277.412 1.076 20 30 CDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000491618811 332245170 /nfs/dbraw/zinc/24/51/70/332245170.db2.gz BHLIKCRMXOGYLQ-INIZCTEOSA-N 2 2 287.407 1.327 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)c2ccccc2)CC1 ZINC000491636458 332257486 /nfs/dbraw/zinc/25/74/86/332257486.db2.gz LOZAAWORYLHNEI-QGZVFWFLSA-N 2 2 299.418 1.505 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C#N ZINC000261701525 536773518 /nfs/dbraw/zinc/77/35/18/536773518.db2.gz IOHYKEKQPVGICM-LSDHHAIUSA-N 2 2 271.364 1.608 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C#N ZINC000261701525 536773527 /nfs/dbraw/zinc/77/35/27/536773527.db2.gz IOHYKEKQPVGICM-LSDHHAIUSA-N 2 2 271.364 1.608 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947929135 613335104 /nfs/dbraw/zinc/33/51/04/613335104.db2.gz IWRDRTCNMDCSNE-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947929135 613335105 /nfs/dbraw/zinc/33/51/05/613335105.db2.gz IWRDRTCNMDCSNE-KBPBESRZSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971675088 613367972 /nfs/dbraw/zinc/36/79/72/613367972.db2.gz XFERZLGBMKYOMG-CYBMUJFWSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971675088 613367973 /nfs/dbraw/zinc/36/79/73/613367973.db2.gz XFERZLGBMKYOMG-CYBMUJFWSA-N 2 2 299.846 1.756 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000951368921 613655247 /nfs/dbraw/zinc/65/52/47/613655247.db2.gz PTJBOTODGWPTHB-KBPBESRZSA-N 2 2 279.428 1.435 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000951368921 613655249 /nfs/dbraw/zinc/65/52/49/613655249.db2.gz PTJBOTODGWPTHB-KBPBESRZSA-N 2 2 279.428 1.435 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000961737138 613839310 /nfs/dbraw/zinc/83/93/10/613839310.db2.gz LWERIWUCPIZTAP-NMKXLXIOSA-N 2 2 286.379 1.062 20 30 CDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000961737138 613839311 /nfs/dbraw/zinc/83/93/11/613839311.db2.gz LWERIWUCPIZTAP-NMKXLXIOSA-N 2 2 286.379 1.062 20 30 CDEDLP C=C(C)C[NH+]1CCC(Nc2cc(NC)[nH+]cn2)CC1 ZINC000892395601 618138671 /nfs/dbraw/zinc/13/86/71/618138671.db2.gz FRKYGKIYWOSJAB-UHFFFAOYSA-N 2 2 261.373 1.971 20 30 CDEDLP COCC[NH+]=C(NCCCCn1cc[nH+]c1)NC(C)(C)C ZINC000912509357 630049441 /nfs/dbraw/zinc/04/94/41/630049441.db2.gz DJTDKXCHZGZMIQ-UHFFFAOYSA-N 2 2 295.431 1.643 20 30 CDEDLP C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000914795111 631573644 /nfs/dbraw/zinc/57/36/44/631573644.db2.gz GAEKDPHLNCOCDT-MRXNPFEDSA-N 2 2 273.380 1.447 20 30 CDEDLP C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000914795111 631573649 /nfs/dbraw/zinc/57/36/49/631573649.db2.gz GAEKDPHLNCOCDT-MRXNPFEDSA-N 2 2 273.380 1.447 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471358 1162521501 /nfs/dbraw/zinc/52/15/01/1162521501.db2.gz BJFMKTHYWWEGRR-CYBMUJFWSA-N 2 2 276.384 1.240 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477933 1162632563 /nfs/dbraw/zinc/63/25/63/1162632563.db2.gz OQBZYJPEHUORBG-KBPBESRZSA-N 2 2 290.411 1.506 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131641023 1162986110 /nfs/dbraw/zinc/98/61/10/1162986110.db2.gz FVSNNVBTSPJDHN-CYBMUJFWSA-N 2 2 278.400 1.413 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113033044 1162079045 /nfs/dbraw/zinc/07/90/45/1162079045.db2.gz WQUOHYBEXPNZMZ-UHFFFAOYSA-N 2 2 267.417 1.437 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113033044 1162079047 /nfs/dbraw/zinc/07/90/47/1162079047.db2.gz WQUOHYBEXPNZMZ-UHFFFAOYSA-N 2 2 267.417 1.437 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133274466 1163622883 /nfs/dbraw/zinc/62/28/83/1163622883.db2.gz IKKRITFBQHNEGN-OCCSQVGLSA-N 2 2 290.411 1.521 20 30 CDEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135136927 1164130970 /nfs/dbraw/zinc/13/09/70/1164130970.db2.gz LDHOYNXRYZDJQJ-KBPBESRZSA-N 2 2 276.384 1.169 20 30 CDEDLP CC#CC[NH2+][C@H](CC)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001753477021 1184662529 /nfs/dbraw/zinc/66/25/29/1184662529.db2.gz BFMJIEDDLCCABL-CQSZACIVSA-N 2 2 290.411 1.434 20 30 CDEDLP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001752881982 1184948526 /nfs/dbraw/zinc/94/85/26/1184948526.db2.gz LHNOLBDNORWDGQ-KBPBESRZSA-N 2 2 290.411 1.506 20 30 CDEDLP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001753206472 1185117234 /nfs/dbraw/zinc/11/72/34/1185117234.db2.gz VOFKMRCDMIMQMO-ZDUSSCGKSA-N 2 2 276.384 1.070 20 30 CDEDLP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320372 1185575825 /nfs/dbraw/zinc/57/58/25/1185575825.db2.gz SONXWDNYSAQJLP-CYBMUJFWSA-N 2 2 286.379 1.961 20 30 CDEDLP C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320372 1185575830 /nfs/dbraw/zinc/57/58/30/1185575830.db2.gz SONXWDNYSAQJLP-CYBMUJFWSA-N 2 2 286.379 1.961 20 30 CDEDLP C=CCC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001754526923 1185659866 /nfs/dbraw/zinc/65/98/66/1185659866.db2.gz WKFGMEHPNVWWIJ-UHFFFAOYSA-N 2 2 276.384 1.167 20 30 CDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034489547 837808379 /nfs/dbraw/zinc/80/83/79/837808379.db2.gz GNIMGZDSUPGDJE-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034489547 837808383 /nfs/dbraw/zinc/80/83/83/837808383.db2.gz GNIMGZDSUPGDJE-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Br)cn1 ZINC000328034587 835953350 /nfs/dbraw/zinc/95/33/50/835953350.db2.gz WBAKJRNSUXFLCJ-UHFFFAOYSA-N 2 2 296.212 1.889 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Br)cn1 ZINC000328034587 835953380 /nfs/dbraw/zinc/95/33/80/835953380.db2.gz WBAKJRNSUXFLCJ-UHFFFAOYSA-N 2 2 296.212 1.889 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001036192607 836039082 /nfs/dbraw/zinc/03/90/82/836039082.db2.gz IFROZMBAIGHIOS-ZWNOBZJWSA-N 2 2 296.802 1.531 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H](C)C1 ZINC001044686451 836307099 /nfs/dbraw/zinc/30/70/99/836307099.db2.gz VSMSKCZSUNNFCN-UONOGXRCSA-N 2 2 290.411 1.508 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000157281 836314355 /nfs/dbraw/zinc/31/43/55/836314355.db2.gz GXCBMAFIRQDNNL-OLZOCXBDSA-N 2 2 286.379 1.043 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OC)C2)CC1 ZINC000886524313 836688405 /nfs/dbraw/zinc/68/84/05/836688405.db2.gz IJBMPBPHUBWUJT-GXTWGEPZSA-N 2 2 266.385 1.568 20 30 CDEDLP 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C=C[C@@H](C)O[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000844621872 841927999 /nfs/dbraw/zinc/92/79/99/841927999.db2.gz OUINJNTVISYUAO-GFCCVEGCSA-N 2 2 275.356 1.153 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC ZINC001037993527 841984045 /nfs/dbraw/zinc/98/40/45/841984045.db2.gz WUGUQABJASNWSI-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc3n2CCOC3)CC1 ZINC000921703410 842108193 /nfs/dbraw/zinc/10/81/93/842108193.db2.gz VPOPTMZBSWPVIM-UHFFFAOYSA-N 2 2 276.384 1.153 20 30 CDEDLP COc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000778189147 842467489 /nfs/dbraw/zinc/46/74/89/842467489.db2.gz NYSCZAHJTZKQIJ-AWEZNQCLSA-N 2 2 282.347 1.868 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001019599865 842886865 /nfs/dbraw/zinc/88/68/65/842886865.db2.gz SIOCNDPSSYYLPA-HNNXBMFYSA-N 2 2 296.374 1.862 20 30 CDEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040553505 842895247 /nfs/dbraw/zinc/89/52/47/842895247.db2.gz YLVRBHKKWYSNGB-INIZCTEOSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040553505 842895248 /nfs/dbraw/zinc/89/52/48/842895248.db2.gz YLVRBHKKWYSNGB-INIZCTEOSA-N 2 2 288.395 1.384 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001394121584 978077371 /nfs/dbraw/zinc/07/73/71/978077371.db2.gz AGDLPTWGRVUNPQ-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001394121584 978077376 /nfs/dbraw/zinc/07/73/76/978077376.db2.gz AGDLPTWGRVUNPQ-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001394121584 978077381 /nfs/dbraw/zinc/07/73/81/978077381.db2.gz AGDLPTWGRVUNPQ-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001394121584 978077388 /nfs/dbraw/zinc/07/73/88/978077388.db2.gz AGDLPTWGRVUNPQ-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024513589 898099565 /nfs/dbraw/zinc/09/95/65/898099565.db2.gz RELYXPIWKZMQNQ-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024513589 898099579 /nfs/dbraw/zinc/09/95/79/898099579.db2.gz RELYXPIWKZMQNQ-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513589 898099597 /nfs/dbraw/zinc/09/95/97/898099597.db2.gz RELYXPIWKZMQNQ-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513589 898099612 /nfs/dbraw/zinc/09/96/12/898099612.db2.gz RELYXPIWKZMQNQ-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167986051 905021563 /nfs/dbraw/zinc/02/15/63/905021563.db2.gz VDAHBQLKHYXTMA-JTQLQIEISA-N 2 2 284.791 1.437 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167986051 905021578 /nfs/dbraw/zinc/02/15/78/905021578.db2.gz VDAHBQLKHYXTMA-JTQLQIEISA-N 2 2 284.791 1.437 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000093425514 908161632 /nfs/dbraw/zinc/16/16/32/908161632.db2.gz OMGRNUDNFWBVAB-UHFFFAOYSA-N 2 2 265.401 1.082 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835558 910020842 /nfs/dbraw/zinc/02/08/42/910020842.db2.gz CNELNOHOIYFBMK-OCCSQVGLSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835558 910020858 /nfs/dbraw/zinc/02/08/58/910020858.db2.gz CNELNOHOIYFBMK-OCCSQVGLSA-N 2 2 299.846 1.660 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001178000486 915087556 /nfs/dbraw/zinc/08/75/56/915087556.db2.gz QJPJQCGFMFWGIW-LBPRGKRZSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001178000486 915087574 /nfs/dbraw/zinc/08/75/74/915087574.db2.gz QJPJQCGFMFWGIW-LBPRGKRZSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001183165094 918353615 /nfs/dbraw/zinc/35/36/15/918353615.db2.gz MPPFCSFKBMNWGY-CZUORRHYSA-N 2 2 290.411 1.223 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001078795376 920468148 /nfs/dbraw/zinc/46/81/48/920468148.db2.gz PTGXQIQZWGYROY-KGLIPLIRSA-N 2 2 288.395 1.464 20 30 CDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754131 922176482 /nfs/dbraw/zinc/17/64/82/922176482.db2.gz FPDTVQSWTKDBPR-BFHYXJOUSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754131 922176492 /nfs/dbraw/zinc/17/64/92/922176492.db2.gz FPDTVQSWTKDBPR-BFHYXJOUSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754131 922176498 /nfs/dbraw/zinc/17/64/98/922176498.db2.gz FPDTVQSWTKDBPR-BFHYXJOUSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754131 922176508 /nfs/dbraw/zinc/17/65/08/922176508.db2.gz FPDTVQSWTKDBPR-BFHYXJOUSA-N 2 2 286.379 1.069 20 30 CDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191320230 922508888 /nfs/dbraw/zinc/50/88/88/922508888.db2.gz NHSWSDXYSUDKIY-CQSZACIVSA-N 2 2 296.374 1.504 20 30 CDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191320230 922508904 /nfs/dbraw/zinc/50/89/04/922508904.db2.gz NHSWSDXYSUDKIY-CQSZACIVSA-N 2 2 296.374 1.504 20 30 CDEDLP C=CCCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269093 925106975 /nfs/dbraw/zinc/10/69/75/925106975.db2.gz CGVWUBLFAVOAPQ-UHFFFAOYSA-N 2 2 276.384 1.453 20 30 CDEDLP C=CCCC[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269093 925106979 /nfs/dbraw/zinc/10/69/79/925106979.db2.gz CGVWUBLFAVOAPQ-UHFFFAOYSA-N 2 2 276.384 1.453 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085593794 926192351 /nfs/dbraw/zinc/19/23/51/926192351.db2.gz ROEIWKHBVHPXDS-HUUCEWRRSA-N 2 2 277.412 1.025 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085593794 926192356 /nfs/dbraw/zinc/19/23/56/926192356.db2.gz ROEIWKHBVHPXDS-HUUCEWRRSA-N 2 2 277.412 1.025 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085593794 926192361 /nfs/dbraw/zinc/19/23/61/926192361.db2.gz ROEIWKHBVHPXDS-HUUCEWRRSA-N 2 2 277.412 1.025 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085593794 926192369 /nfs/dbraw/zinc/19/23/69/926192369.db2.gz ROEIWKHBVHPXDS-HUUCEWRRSA-N 2 2 277.412 1.025 20 30 CDEDLP C=CCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790557 937419763 /nfs/dbraw/zinc/41/97/63/937419763.db2.gz TUOFCUQWQSCWJH-UHFFFAOYSA-N 2 2 290.411 1.937 20 30 CDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246138084 931097354 /nfs/dbraw/zinc/09/73/54/931097354.db2.gz AJFVHPBOJCXUFI-UONOGXRCSA-N 3 2 251.418 1.805 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749376 936175575 /nfs/dbraw/zinc/17/55/75/936175575.db2.gz BUQAFSMAANBLDP-UONOGXRCSA-N 2 2 274.368 1.204 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749376 936175576 /nfs/dbraw/zinc/17/55/76/936175576.db2.gz BUQAFSMAANBLDP-UONOGXRCSA-N 2 2 274.368 1.204 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C#N)c3ccccc3n2)CC1 ZINC001157916146 938562541 /nfs/dbraw/zinc/56/25/41/938562541.db2.gz KLWSGBFEOLHXJU-UHFFFAOYSA-N 2 2 294.362 1.701 20 30 CDEDLP N#CCc1cc[nH+]c(NC2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC001161469391 938905256 /nfs/dbraw/zinc/90/52/56/938905256.db2.gz FLKRRAUTZFAIGL-OAHLLOKOSA-N 2 2 285.395 1.386 20 30 CDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076123 939729496 /nfs/dbraw/zinc/72/94/96/939729496.db2.gz JSJFDSWTPTWFMN-UHFFFAOYSA-N 2 2 276.384 1.430 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1F ZINC001206214212 939999250 /nfs/dbraw/zinc/99/92/50/939999250.db2.gz XWJAHWQXUNGHHT-OLZOCXBDSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1F ZINC001206214212 939999253 /nfs/dbraw/zinc/99/92/53/939999253.db2.gz XWJAHWQXUNGHHT-OLZOCXBDSA-N 2 2 265.307 1.959 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210051084 940659598 /nfs/dbraw/zinc/65/95/98/940659598.db2.gz GSOKWYZABKHDRQ-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051084 940659599 /nfs/dbraw/zinc/65/95/99/940659599.db2.gz GSOKWYZABKHDRQ-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[NH2+]C[C@H](O)C2)CC1 ZINC001210399499 940688056 /nfs/dbraw/zinc/68/80/56/940688056.db2.gz LRPBDRVJSNPZPO-CABCVRRESA-N 2 2 250.386 1.555 20 30 CDEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[NH2+]C[C@H](O)C2)CC1 ZINC001210399499 940688058 /nfs/dbraw/zinc/68/80/58/940688058.db2.gz LRPBDRVJSNPZPO-CABCVRRESA-N 2 2 250.386 1.555 20 30 CDEDLP Cc1noc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c1C#N ZINC001218502981 941225540 /nfs/dbraw/zinc/22/55/40/941225540.db2.gz KKWAZWIVFNGQJQ-GFCCVEGCSA-N 2 2 285.307 1.066 20 30 CDEDLP C=CCCC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227138015 942139839 /nfs/dbraw/zinc/13/98/39/942139839.db2.gz GCOUVZNQIPPZFL-UHFFFAOYSA-N 2 2 290.411 1.889 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236028554 944383532 /nfs/dbraw/zinc/38/35/32/944383532.db2.gz MUERYURFCCRTFV-GDBMZVCRSA-N 2 2 270.380 1.569 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236028554 944383542 /nfs/dbraw/zinc/38/35/42/944383542.db2.gz MUERYURFCCRTFV-GDBMZVCRSA-N 2 2 270.380 1.569 20 30 CDEDLP CCC[NH+]1CCC([NH2+]Cc2ccc(C#N)nc2)CC1 ZINC001258770876 945406947 /nfs/dbraw/zinc/40/69/47/945406947.db2.gz TUUIEFXGQHHDAI-UHFFFAOYSA-N 2 2 258.369 1.917 20 30 CDEDLP CC1(C#N)CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246139373 947983331 /nfs/dbraw/zinc/98/33/31/947983331.db2.gz CUPMZIRKKMDIPP-HWOWSKLDSA-N 3 2 290.455 1.923 20 30 CDEDLP C=C1C[C@@H]2CC([N@H+]3C[C@@H]([NH3+])[C@@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001246928740 948524454 /nfs/dbraw/zinc/52/44/54/948524454.db2.gz AGLZYOWJAWBFIY-FIBILERRSA-N 2 2 278.396 1.553 20 30 CDEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]([NH3+])[C@@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001246928740 948524460 /nfs/dbraw/zinc/52/44/60/948524460.db2.gz AGLZYOWJAWBFIY-FIBILERRSA-N 2 2 278.396 1.553 20 30 CDEDLP CC(C)(O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001252370101 951224597 /nfs/dbraw/zinc/22/45/97/951224597.db2.gz KALGIWSFLGCPPC-UHFFFAOYSA-N 2 2 287.407 1.883 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001480767133 971871150 /nfs/dbraw/zinc/87/11/50/971871150.db2.gz HVHLAZBQZXURJO-LLVKDONJSA-N 2 2 284.791 1.579 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001480767133 971871151 /nfs/dbraw/zinc/87/11/51/971871151.db2.gz HVHLAZBQZXURJO-LLVKDONJSA-N 2 2 284.791 1.579 20 30 CDEDLP C#C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC001308883335 956591290 /nfs/dbraw/zinc/59/12/90/956591290.db2.gz RFULHYWZMAVFHW-FMKPAKJESA-N 2 2 264.413 1.613 20 30 CDEDLP CCCN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001317893812 957809426 /nfs/dbraw/zinc/80/94/26/957809426.db2.gz NNAQAIRESVFBPW-UHFFFAOYSA-N 2 2 278.375 1.911 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001421218418 963502632 /nfs/dbraw/zinc/50/26/32/963502632.db2.gz HFPVXWUHPDNUPX-CQSZACIVSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001421218418 963502639 /nfs/dbraw/zinc/50/26/39/963502639.db2.gz HFPVXWUHPDNUPX-CQSZACIVSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001421218418 963502645 /nfs/dbraw/zinc/50/26/45/963502645.db2.gz HFPVXWUHPDNUPX-CQSZACIVSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001421218418 963502652 /nfs/dbraw/zinc/50/26/52/963502652.db2.gz HFPVXWUHPDNUPX-CQSZACIVSA-N 2 2 287.835 1.661 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528801 968616820 /nfs/dbraw/zinc/61/68/20/968616820.db2.gz STWYWJYXYOQLOL-UHFFFAOYSA-N 2 2 290.411 1.413 20 30 CDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001375455007 974388527 /nfs/dbraw/zinc/38/85/27/974388527.db2.gz GXLBMJMOTXOYJX-UHFFFAOYSA-N 2 2 282.775 1.264 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001376854236 974795127 /nfs/dbraw/zinc/79/51/27/974795127.db2.gz DDGVIMURUWWZDD-SECBINFHSA-N 2 2 270.764 1.107 20 30 CDEDLP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392520369 977470480 /nfs/dbraw/zinc/47/04/80/977470480.db2.gz MWPXGIDCSFYDTG-GFCCVEGCSA-N 2 2 297.362 1.118 20 30 CDEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195616 1163189594 /nfs/dbraw/zinc/18/95/94/1163189594.db2.gz RJTOFJZGQIETCS-KGLIPLIRSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195616 1163189597 /nfs/dbraw/zinc/18/95/97/1163189597.db2.gz RJTOFJZGQIETCS-KGLIPLIRSA-N 2 2 290.411 1.508 20 30 CDEDLP CC(C)(C)[NH+]1CCC([NH+]2CCN(CCC#N)CC2)CC1 ZINC000601316222 342552248 /nfs/dbraw/zinc/55/22/48/342552248.db2.gz VTAFSBFIYVKAQP-UHFFFAOYSA-N 2 2 278.444 1.781 20 30 CDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CC1)c1cccs1 ZINC000068467057 342181002 /nfs/dbraw/zinc/18/10/02/342181002.db2.gz MIAWCRBEXKSNRN-JTQLQIEISA-N 2 2 252.387 1.418 20 30 CDEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442845312 362094467 /nfs/dbraw/zinc/09/44/67/362094467.db2.gz HPGGFGRKHHJUBM-MGPQQGTHSA-N 2 2 251.374 1.379 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC000081645665 342371632 /nfs/dbraw/zinc/37/16/32/342371632.db2.gz WUVIMDZDOQUQPS-MRXNPFEDSA-N 2 2 299.418 1.457 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC000081645665 342371633 /nfs/dbraw/zinc/37/16/33/342371633.db2.gz WUVIMDZDOQUQPS-MRXNPFEDSA-N 2 2 299.418 1.457 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000598703356 343876668 /nfs/dbraw/zinc/87/66/68/343876668.db2.gz GXSBMNXDRQEQAC-GFCCVEGCSA-N 2 2 250.346 1.164 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000598720051 343883346 /nfs/dbraw/zinc/88/33/46/343883346.db2.gz LSYYCJBYLUUCDA-KGLIPLIRSA-N 2 2 265.401 1.361 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000598720051 343883348 /nfs/dbraw/zinc/88/33/48/343883348.db2.gz LSYYCJBYLUUCDA-KGLIPLIRSA-N 2 2 265.401 1.361 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1=O ZINC000584771435 346428038 /nfs/dbraw/zinc/42/80/38/346428038.db2.gz IQZBXRBDKNAGMY-ZNMIVQPWSA-N 2 2 277.412 1.380 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1=O ZINC000584771435 346428040 /nfs/dbraw/zinc/42/80/40/346428040.db2.gz IQZBXRBDKNAGMY-ZNMIVQPWSA-N 2 2 277.412 1.380 20 30 CDEDLP CC#CC[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000641769292 365832713 /nfs/dbraw/zinc/83/27/13/365832713.db2.gz RYTZYNCXMQEZBI-OAHLLOKOSA-N 2 2 269.348 1.736 20 30 CDEDLP C=CC[NH+](CC=C)CC(O)C[NH+](CC=C)CC=C ZINC000038256020 349308330 /nfs/dbraw/zinc/30/83/30/349308330.db2.gz AZBREXNLRPHATP-UHFFFAOYSA-N 2 2 250.386 1.695 20 30 CDEDLP CC(C)CNC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264063638 362955001 /nfs/dbraw/zinc/95/50/01/362955001.db2.gz DOGOMRILDAJTTA-CQSZACIVSA-N 2 2 280.391 1.989 20 30 CDEDLP CCCNC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264098753 362966874 /nfs/dbraw/zinc/96/68/74/362966874.db2.gz MGAUVRBUQPGDPV-UHFFFAOYSA-N 2 2 271.368 1.746 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621778173 350774655 /nfs/dbraw/zinc/77/46/55/350774655.db2.gz LTANWOUPZCUVOC-HIFRSBDPSA-N 2 2 263.385 1.000 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621778173 350774658 /nfs/dbraw/zinc/77/46/58/350774658.db2.gz LTANWOUPZCUVOC-HIFRSBDPSA-N 2 2 263.385 1.000 20 30 CDEDLP C[C@H]1CCC[N@H+](CCNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329843058 538695991 /nfs/dbraw/zinc/69/59/91/538695991.db2.gz NYPNFJVCAVNRAT-ZDUSSCGKSA-N 2 2 291.399 1.345 20 30 CDEDLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329843058 538696002 /nfs/dbraw/zinc/69/60/02/538696002.db2.gz NYPNFJVCAVNRAT-ZDUSSCGKSA-N 2 2 291.399 1.345 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150840695 358768838 /nfs/dbraw/zinc/76/88/38/358768838.db2.gz IOPRJVUIYBENBV-MRXNPFEDSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150840695 358768840 /nfs/dbraw/zinc/76/88/40/358768840.db2.gz IOPRJVUIYBENBV-MRXNPFEDSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348287140 359969732 /nfs/dbraw/zinc/96/97/32/359969732.db2.gz SRQXMAWEUUIEMY-HIFRSBDPSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348287140 359969736 /nfs/dbraw/zinc/96/97/36/359969736.db2.gz SRQXMAWEUUIEMY-HIFRSBDPSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348287140 359969740 /nfs/dbraw/zinc/96/97/40/359969740.db2.gz SRQXMAWEUUIEMY-HIFRSBDPSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348287140 359969744 /nfs/dbraw/zinc/96/97/44/359969744.db2.gz SRQXMAWEUUIEMY-HIFRSBDPSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C1=O ZINC000337196974 360018757 /nfs/dbraw/zinc/01/87/57/360018757.db2.gz WSYAOZVEUFHUAH-ZNMIVQPWSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C1=O ZINC000337196974 360018761 /nfs/dbraw/zinc/01/87/61/360018761.db2.gz WSYAOZVEUFHUAH-ZNMIVQPWSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C1=O ZINC000337196974 360018767 /nfs/dbraw/zinc/01/87/67/360018767.db2.gz WSYAOZVEUFHUAH-ZNMIVQPWSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C1=O ZINC000337196974 360018769 /nfs/dbraw/zinc/01/87/69/360018769.db2.gz WSYAOZVEUFHUAH-ZNMIVQPWSA-N 2 2 279.428 1.578 20 30 CDEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000157416729 360869782 /nfs/dbraw/zinc/86/97/82/360869782.db2.gz VJMWGSYFFCJFDZ-INIZCTEOSA-N 2 2 294.443 1.457 20 30 CDEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000157416729 360869784 /nfs/dbraw/zinc/86/97/84/360869784.db2.gz VJMWGSYFFCJFDZ-INIZCTEOSA-N 2 2 294.443 1.457 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCCNC(=O)C1)C(C)C ZINC000638358080 369514962 /nfs/dbraw/zinc/51/49/62/369514962.db2.gz YVVBROABQAWGAA-JKSUJKDBSA-N 2 2 293.455 1.943 20 30 CDEDLP C=CCOc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000564869331 370281882 /nfs/dbraw/zinc/28/18/82/370281882.db2.gz UIFLZNAVQVPAII-MRXNPFEDSA-N 2 2 290.407 1.796 20 30 CDEDLP C=CCOc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000564869331 370281884 /nfs/dbraw/zinc/28/18/84/370281884.db2.gz UIFLZNAVQVPAII-MRXNPFEDSA-N 2 2 290.407 1.796 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000564918227 370298556 /nfs/dbraw/zinc/29/85/56/370298556.db2.gz OXJCMGWVRJVDCS-LLVKDONJSA-N 2 2 257.297 1.294 20 30 CDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)CCO1 ZINC000331736401 204106052 /nfs/dbraw/zinc/10/60/52/204106052.db2.gz BJOXZSQAMQTTNC-CJNGLKHVSA-N 2 2 299.378 1.640 20 30 CDEDLP C#CCC[NH+]1CCN(c2cc(C)[nH+]c(CC)n2)CC1 ZINC000286163924 378197019 /nfs/dbraw/zinc/19/70/19/378197019.db2.gz IIOFOWBNZPYXOQ-UHFFFAOYSA-N 2 2 258.369 1.493 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000293085396 378538062 /nfs/dbraw/zinc/53/80/62/378538062.db2.gz VGIDGNXGTILTKU-UHFFFAOYSA-N 2 2 284.354 1.888 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)n2cncn2)CC1 ZINC000280921962 195029637 /nfs/dbraw/zinc/02/96/37/195029637.db2.gz GKHITZHCYYSNAS-ZDUSSCGKSA-N 2 2 277.416 1.642 20 30 CDEDLP C=CCOc1ccccc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000575040392 335057759 /nfs/dbraw/zinc/05/77/59/335057759.db2.gz WGDRLWAOCPDEQF-MRXNPFEDSA-N 2 2 290.407 1.796 20 30 CDEDLP C=CCOc1ccccc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000575040392 335057760 /nfs/dbraw/zinc/05/77/60/335057760.db2.gz WGDRLWAOCPDEQF-MRXNPFEDSA-N 2 2 290.407 1.796 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124263835 390913825 /nfs/dbraw/zinc/91/38/25/390913825.db2.gz JIZGHFXXBIEFFQ-HNNXBMFYSA-N 2 2 291.399 1.259 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124263835 390913827 /nfs/dbraw/zinc/91/38/27/390913827.db2.gz JIZGHFXXBIEFFQ-HNNXBMFYSA-N 2 2 291.399 1.259 20 30 CDEDLP C[NH+]=C(NC[C@H](c1ccsc1)[NH+](C)C)NC1CC1 ZINC000262069615 390999039 /nfs/dbraw/zinc/99/90/39/390999039.db2.gz BWQPQYNSKYNJMN-GFCCVEGCSA-N 2 2 266.414 1.678 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000491475298 391141803 /nfs/dbraw/zinc/14/18/03/391141803.db2.gz VLWJFYJKGXACDT-HUUCEWRRSA-N 2 2 291.439 1.178 20 30 CDEDLP C=CCOCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000338924563 391232399 /nfs/dbraw/zinc/23/23/99/391232399.db2.gz IDWGBIMGSGNRGB-AWEZNQCLSA-N 2 2 268.401 1.374 20 30 CDEDLP C=CCOCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000338924563 391232401 /nfs/dbraw/zinc/23/24/01/391232401.db2.gz IDWGBIMGSGNRGB-AWEZNQCLSA-N 2 2 268.401 1.374 20 30 CDEDLP C=CCOCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000338924565 391232863 /nfs/dbraw/zinc/23/28/63/391232863.db2.gz IDWGBIMGSGNRGB-CQSZACIVSA-N 2 2 268.401 1.374 20 30 CDEDLP C=CCOCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000338924565 391232866 /nfs/dbraw/zinc/23/28/66/391232866.db2.gz IDWGBIMGSGNRGB-CQSZACIVSA-N 2 2 268.401 1.374 20 30 CDEDLP C=CC[N@@H+](C)CCN(CC)CC[NH+]1CCOC[C@@H]1C ZINC000411652672 391495055 /nfs/dbraw/zinc/49/50/55/391495055.db2.gz XLRVPRKBASINKW-HNNXBMFYSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)CC[NH+]1CCOC[C@@H]1C ZINC000411652672 391495057 /nfs/dbraw/zinc/49/50/57/391495057.db2.gz XLRVPRKBASINKW-HNNXBMFYSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[NH+](C)CCN(CC)CC[N@@H+]1CCOC[C@@H]1C ZINC000411652672 391495059 /nfs/dbraw/zinc/49/50/59/391495059.db2.gz XLRVPRKBASINKW-HNNXBMFYSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[NH+](C)CCN(CC)CC[N@H+]1CCOC[C@@H]1C ZINC000411652672 391495060 /nfs/dbraw/zinc/49/50/60/391495060.db2.gz XLRVPRKBASINKW-HNNXBMFYSA-N 2 2 269.433 1.147 20 30 CDEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000574031700 391708461 /nfs/dbraw/zinc/70/84/61/391708461.db2.gz OWPKOFDBCQHBHR-XJKSGUPXSA-N 2 2 285.391 1.904 20 30 CDEDLP C#CCNC(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)=[NH+]C ZINC000262609184 391800086 /nfs/dbraw/zinc/80/00/86/391800086.db2.gz AGCCYBHNZAJIPF-GFCCVEGCSA-N 2 2 290.436 1.293 20 30 CDEDLP C#CCNC(NC[C@@H](C)[N@H+]1CCc2sccc2C1)=[NH+]C ZINC000262609184 391800088 /nfs/dbraw/zinc/80/00/88/391800088.db2.gz AGCCYBHNZAJIPF-GFCCVEGCSA-N 2 2 290.436 1.293 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(C#N)c(F)c1 ZINC000423555334 392964154 /nfs/dbraw/zinc/96/41/54/392964154.db2.gz HTPHYMAOWFNQRQ-GWCFXTLKSA-N 2 2 263.316 1.336 20 30 CDEDLP CN(C)c1[nH+]cc(C[N@H+](C)Cc2cccc(C#N)c2)n1C ZINC000425321686 393018777 /nfs/dbraw/zinc/01/87/77/393018777.db2.gz FQHZIOKWACILFA-UHFFFAOYSA-N 2 2 283.379 1.990 20 30 CDEDLP CN(C)c1[nH+]cc(C[N@@H+](C)Cc2cccc(C#N)c2)n1C ZINC000425321686 393018780 /nfs/dbraw/zinc/01/87/80/393018780.db2.gz FQHZIOKWACILFA-UHFFFAOYSA-N 2 2 283.379 1.990 20 30 CDEDLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)ccc1C#N ZINC000487924142 393336014 /nfs/dbraw/zinc/33/60/14/393336014.db2.gz ZTQFXMAFKDIPCA-UHFFFAOYSA-N 2 2 287.407 1.755 20 30 CDEDLP Cc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)ccc1C#N ZINC000487924142 393336020 /nfs/dbraw/zinc/33/60/20/393336020.db2.gz ZTQFXMAFKDIPCA-UHFFFAOYSA-N 2 2 287.407 1.755 20 30 CDEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660480172 413155148 /nfs/dbraw/zinc/15/51/48/413155148.db2.gz SFZYNOYGYQBPCC-HZPDHXFCSA-N 2 2 264.413 1.975 20 30 CDEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660480172 413155157 /nfs/dbraw/zinc/15/51/57/413155157.db2.gz SFZYNOYGYQBPCC-HZPDHXFCSA-N 2 2 264.413 1.975 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000072296481 176363468 /nfs/dbraw/zinc/36/34/68/176363468.db2.gz ZPZRMFQUVZDCJS-KRWDZBQOSA-N 2 2 285.391 1.712 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000072296481 176363469 /nfs/dbraw/zinc/36/34/69/176363469.db2.gz ZPZRMFQUVZDCJS-KRWDZBQOSA-N 2 2 285.391 1.712 20 30 CDEDLP CN(C(=[NH2+])NCCc1cn2ccccc2[nH+]1)C1CC1 ZINC000273340721 263015786 /nfs/dbraw/zinc/01/57/86/263015786.db2.gz NDKWPOSYNYKVCU-UHFFFAOYSA-N 2 2 257.341 1.286 20 30 CDEDLP CN(C)C(=[NH2+])NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277151142 263039868 /nfs/dbraw/zinc/03/98/68/263039868.db2.gz ANOHWTDYKMFNEV-CQSZACIVSA-N 2 2 292.452 1.480 20 30 CDEDLP CN(C)C(=[NH2+])NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277151142 263039869 /nfs/dbraw/zinc/03/98/69/263039869.db2.gz ANOHWTDYKMFNEV-CQSZACIVSA-N 2 2 292.452 1.480 20 30 CDEDLP C=CCc1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc(OC)c1O ZINC000415092039 263272145 /nfs/dbraw/zinc/27/21/45/263272145.db2.gz DZCGYUKKIRCSHJ-AWEZNQCLSA-N 2 2 292.379 1.207 20 30 CDEDLP CCCNC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000262026931 328144098 /nfs/dbraw/zinc/14/40/98/328144098.db2.gz ZVNGQISEWIFJOJ-UHFFFAOYSA-N 2 2 266.414 1.421 20 30 CDEDLP CCCNC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000262026931 328144099 /nfs/dbraw/zinc/14/40/99/328144099.db2.gz ZVNGQISEWIFJOJ-UHFFFAOYSA-N 2 2 266.414 1.421 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174222114 329155527 /nfs/dbraw/zinc/15/55/27/329155527.db2.gz UHXQVJMKULNEKB-HNNXBMFYSA-N 2 2 294.443 1.412 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174222114 329155526 /nfs/dbraw/zinc/15/55/26/329155526.db2.gz UHXQVJMKULNEKB-HNNXBMFYSA-N 2 2 294.443 1.412 20 30 CDEDLP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CCCCCC1 ZINC000263194007 330048590 /nfs/dbraw/zinc/04/85/90/330048590.db2.gz WDALCUDTOLFBOX-GASCZTMLSA-N 2 2 294.443 1.477 20 30 CDEDLP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CCCCCC1 ZINC000263194007 330048592 /nfs/dbraw/zinc/04/85/92/330048592.db2.gz WDALCUDTOLFBOX-GASCZTMLSA-N 2 2 294.443 1.477 20 30 CDEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000516761773 333081954 /nfs/dbraw/zinc/08/19/54/333081954.db2.gz NWIXSANEAIKOTC-ZDUSSCGKSA-N 2 2 253.309 1.867 20 30 CDEDLP CC(C)(C#N)CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000576772908 335246519 /nfs/dbraw/zinc/24/65/19/335246519.db2.gz DORBZQWGNCKDAC-UHFFFAOYSA-N 2 2 261.373 1.862 20 30 CDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCCC#N)c2cc1C ZINC000576937650 335266279 /nfs/dbraw/zinc/26/62/79/335266279.db2.gz CZMCFEAIXVODLC-CQSZACIVSA-N 2 2 286.379 1.907 20 30 CDEDLP C=CCC(CC=C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000268232710 534565222 /nfs/dbraw/zinc/56/52/22/534565222.db2.gz UUXHQRIJRQPTRY-UHFFFAOYSA-N 2 2 293.455 1.897 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(C)c2OC)CC1 ZINC000106245078 526603105 /nfs/dbraw/zinc/60/31/05/526603105.db2.gz MBBXCPOHWRXCHH-UHFFFAOYSA-N 2 2 292.427 1.867 20 30 CDEDLP C[C@@H]1C[N@H+](C)CC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761830361 576595942 /nfs/dbraw/zinc/59/59/42/576595942.db2.gz HKNBAAJGKFADFB-SNVBAGLBSA-N 2 2 271.328 1.012 20 30 CDEDLP C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761830361 576595944 /nfs/dbraw/zinc/59/59/44/576595944.db2.gz HKNBAAJGKFADFB-SNVBAGLBSA-N 2 2 271.328 1.012 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091202 613266716 /nfs/dbraw/zinc/26/67/16/613266716.db2.gz VLETVVBEYUPLET-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091202 613266718 /nfs/dbraw/zinc/26/67/18/613266718.db2.gz VLETVVBEYUPLET-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968700701 613517438 /nfs/dbraw/zinc/51/74/38/613517438.db2.gz ARQOKXSANKIRMV-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968700701 613517441 /nfs/dbraw/zinc/51/74/41/613517441.db2.gz ARQOKXSANKIRMV-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971650311 613627796 /nfs/dbraw/zinc/62/77/96/613627796.db2.gz BIBMWPIGVUFMKO-ZDUSSCGKSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971650311 613627799 /nfs/dbraw/zinc/62/77/99/613627799.db2.gz BIBMWPIGVUFMKO-ZDUSSCGKSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971650311 613627800 /nfs/dbraw/zinc/62/78/00/613627800.db2.gz BIBMWPIGVUFMKO-ZDUSSCGKSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971650311 613627803 /nfs/dbraw/zinc/62/78/03/613627803.db2.gz BIBMWPIGVUFMKO-ZDUSSCGKSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946833943 613832532 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CDEDLP C=CCC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429464 1158710954 /nfs/dbraw/zinc/71/09/54/1158710954.db2.gz SXYCJAGJKXWADX-CYBMUJFWSA-N 2 2 264.373 1.506 20 30 CDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)c1 ZINC001132079729 1163165955 /nfs/dbraw/zinc/16/59/55/1163165955.db2.gz JYXLSYIHXWCNAD-UHFFFAOYSA-N 2 2 297.362 1.051 20 30 CDEDLP N#Cc1cc(F)ccc1N1CC[NH+](CC2(C[NH3+])CC2)CC1 ZINC001580060105 1172338247 /nfs/dbraw/zinc/33/82/47/1172338247.db2.gz QFDHWLJMFMPUKZ-UHFFFAOYSA-N 2 2 288.370 1.558 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001715212738 1179579133 /nfs/dbraw/zinc/57/91/33/1179579133.db2.gz FJRDVEVKQAWLIM-TZMCWYRMSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001715212738 1179579136 /nfs/dbraw/zinc/57/91/36/1179579136.db2.gz FJRDVEVKQAWLIM-TZMCWYRMSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001752672130 1184891520 /nfs/dbraw/zinc/89/15/20/1184891520.db2.gz RCJFDAYATDYMTB-IHRRRGAJSA-N 2 2 290.411 1.791 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001752672130 1184891523 /nfs/dbraw/zinc/89/15/23/1184891523.db2.gz RCJFDAYATDYMTB-IHRRRGAJSA-N 2 2 290.411 1.791 20 30 CDEDLP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001753696979 1185306521 /nfs/dbraw/zinc/30/65/21/1185306521.db2.gz QRTOYMSTTXHSQT-YNEHKIRRSA-N 2 2 276.384 1.526 20 30 CDEDLP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001753696979 1185306529 /nfs/dbraw/zinc/30/65/29/1185306529.db2.gz QRTOYMSTTXHSQT-YNEHKIRRSA-N 2 2 276.384 1.526 20 30 CDEDLP C=CC[NH2+][C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001753841339 1185353518 /nfs/dbraw/zinc/35/35/18/1185353518.db2.gz XJHHBVUZHVIBGG-UONOGXRCSA-N 2 2 278.400 1.751 20 30 CDEDLP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001755593980 1186006109 /nfs/dbraw/zinc/00/61/09/1186006109.db2.gz JGLWBUWMEOJQCF-STQMWFEESA-N 2 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C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027610199 843024315 /nfs/dbraw/zinc/02/43/15/843024315.db2.gz JSFUQNXEBSVFAJ-HIFRSBDPSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027610199 843024327 /nfs/dbraw/zinc/02/43/27/843024327.db2.gz JSFUQNXEBSVFAJ-HIFRSBDPSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001027610199 843024341 /nfs/dbraw/zinc/02/43/41/843024341.db2.gz JSFUQNXEBSVFAJ-HIFRSBDPSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001027610199 843024353 /nfs/dbraw/zinc/02/43/53/843024353.db2.gz JSFUQNXEBSVFAJ-HIFRSBDPSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992525779 843024618 /nfs/dbraw/zinc/02/46/18/843024618.db2.gz XQPAPNYIBBDRFE-UKRRQHHQSA-N 2 2 274.368 1.182 20 30 CDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992525779 843024631 /nfs/dbraw/zinc/02/46/31/843024631.db2.gz XQPAPNYIBBDRFE-UKRRQHHQSA-N 2 2 274.368 1.182 20 30 CDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034503751 843152380 /nfs/dbraw/zinc/15/23/80/843152380.db2.gz RDWLPUPBVZMIQX-CQSZACIVSA-N 2 2 288.395 1.255 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940595 843875739 /nfs/dbraw/zinc/87/57/39/843875739.db2.gz OOALLVGMCNILPJ-CYBMUJFWSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940595 843875741 /nfs/dbraw/zinc/87/57/41/843875741.db2.gz OOALLVGMCNILPJ-CYBMUJFWSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001034775847 843909751 /nfs/dbraw/zinc/90/97/51/843909751.db2.gz KQGMFSLXYSQVLI-JOCQHMNTSA-N 2 2 276.384 1.166 20 30 CDEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039048658 844816148 /nfs/dbraw/zinc/81/61/48/844816148.db2.gz IUNXWFXFWMZJKU-KGLIPLIRSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039048658 844816153 /nfs/dbraw/zinc/81/61/53/844816153.db2.gz IUNXWFXFWMZJKU-KGLIPLIRSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039048658 844816156 /nfs/dbraw/zinc/81/61/56/844816156.db2.gz IUNXWFXFWMZJKU-KGLIPLIRSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039048658 844816159 /nfs/dbraw/zinc/81/61/59/844816159.db2.gz IUNXWFXFWMZJKU-KGLIPLIRSA-N 2 2 265.401 1.237 20 30 CDEDLP CCCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000303876018 844987973 /nfs/dbraw/zinc/98/79/73/844987973.db2.gz HWMNCMCCWFBEFC-LBPRGKRZSA-N 2 2 266.389 1.977 20 30 CDEDLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1C#N ZINC000817914886 845037320 /nfs/dbraw/zinc/03/73/20/845037320.db2.gz BLCSAUHLSYAFKD-SMDDNHRTSA-N 2 2 259.353 1.797 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049174116 845046707 /nfs/dbraw/zinc/04/67/07/845046707.db2.gz MSSJHHMVUBVZQI-BETUJISGSA-N 2 2 288.395 1.264 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049174116 845046720 /nfs/dbraw/zinc/04/67/20/845046720.db2.gz MSSJHHMVUBVZQI-BETUJISGSA-N 2 2 288.395 1.264 20 30 CDEDLP CC(C)[C@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCN(C)CC1 ZINC000303785961 845095586 /nfs/dbraw/zinc/09/55/86/845095586.db2.gz QWECDCOYETTXRM-HNNXBMFYSA-N 2 2 295.475 1.059 20 30 CDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027979981 845523830 /nfs/dbraw/zinc/52/38/30/845523830.db2.gz JYXMCHYSCYREID-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996106640 845678931 /nfs/dbraw/zinc/67/89/31/845678931.db2.gz OOJCDQPTZSDPRR-CQSZACIVSA-N 2 2 290.411 1.676 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076302918 845918009 /nfs/dbraw/zinc/91/80/09/845918009.db2.gz CIMOGBSDJGNRNA-SOUVJXGZSA-N 2 2 288.395 1.553 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076302918 845918013 /nfs/dbraw/zinc/91/80/13/845918013.db2.gz CIMOGBSDJGNRNA-SOUVJXGZSA-N 2 2 288.395 1.553 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001030387915 845947631 /nfs/dbraw/zinc/94/76/31/845947631.db2.gz GJRFRESZMDXVMZ-UHFFFAOYSA-N 2 2 293.436 1.800 20 30 CDEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001006341409 845969540 /nfs/dbraw/zinc/96/95/40/845969540.db2.gz WTLQPJRZOPISQR-UHFFFAOYSA-N 2 2 290.411 1.760 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848352193 846286717 /nfs/dbraw/zinc/28/67/17/846286717.db2.gz MWRGPZYLIJMBLF-OAGGEKHMSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848352193 846286728 /nfs/dbraw/zinc/28/67/28/846286728.db2.gz MWRGPZYLIJMBLF-OAGGEKHMSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000848352193 846286739 /nfs/dbraw/zinc/28/67/39/846286739.db2.gz MWRGPZYLIJMBLF-OAGGEKHMSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000848352193 846286749 /nfs/dbraw/zinc/28/67/49/846286749.db2.gz MWRGPZYLIJMBLF-OAGGEKHMSA-N 2 2 289.423 1.217 20 30 CDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999386204 846636780 /nfs/dbraw/zinc/63/67/80/846636780.db2.gz UVBTWJYLNQDBBK-BPCQOVAHSA-N 2 2 288.395 1.595 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038463439 846689354 /nfs/dbraw/zinc/68/93/54/846689354.db2.gz VBFGVJBWYJKVDN-CQSZACIVSA-N 2 2 284.363 1.715 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038463439 846689360 /nfs/dbraw/zinc/68/93/60/846689360.db2.gz VBFGVJBWYJKVDN-CQSZACIVSA-N 2 2 284.363 1.715 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049927823 847192959 /nfs/dbraw/zinc/19/29/59/847192959.db2.gz OBMPCMGNXTZYHP-GJZGRUSLSA-N 2 2 288.395 1.525 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049927823 847192960 /nfs/dbraw/zinc/19/29/60/847192960.db2.gz OBMPCMGNXTZYHP-GJZGRUSLSA-N 2 2 288.395 1.525 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001036228328 847274015 /nfs/dbraw/zinc/27/40/15/847274015.db2.gz BVKUTMDCKAVFEZ-OLZOCXBDSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000999506164 847298839 /nfs/dbraw/zinc/29/88/39/847298839.db2.gz YYCSDOWCAFPSSX-ZDUSSCGKSA-N 2 2 284.363 1.943 20 30 CDEDLP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031778847 847325946 /nfs/dbraw/zinc/32/59/46/847325946.db2.gz BMHXDZMHKSZKTQ-AWEZNQCLSA-N 2 2 288.395 1.070 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000852750864 847461770 /nfs/dbraw/zinc/46/17/70/847461770.db2.gz HPZVPKSGJYVJEH-NSHDSACASA-N 2 2 255.753 1.126 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000852750864 847461776 /nfs/dbraw/zinc/46/17/76/847461776.db2.gz HPZVPKSGJYVJEH-NSHDSACASA-N 2 2 255.753 1.126 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])NC2CCC(C)(C#N)CC2)CC1 ZINC001173589039 912639682 /nfs/dbraw/zinc/63/96/82/912639682.db2.gz RNUGKMSYZUAPGV-UHFFFAOYSA-N 2 2 263.389 1.231 20 30 CDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175880676 913820711 /nfs/dbraw/zinc/82/07/11/913820711.db2.gz CLUMGFJQHPDIIE-ZDUSSCGKSA-N 2 2 276.384 1.240 20 30 CDEDLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(S)CC1 ZINC001235897110 914366730 /nfs/dbraw/zinc/36/67/30/914366730.db2.gz PMPOMHPHIKKOPW-CYBMUJFWSA-N 2 2 250.411 1.951 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087988300 906110286 /nfs/dbraw/zinc/11/02/86/906110286.db2.gz ANNWSWFOLZKXHF-KGLIPLIRSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087988300 906110288 /nfs/dbraw/zinc/11/02/88/906110288.db2.gz ANNWSWFOLZKXHF-KGLIPLIRSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087988300 906110295 /nfs/dbraw/zinc/11/02/95/906110295.db2.gz ANNWSWFOLZKXHF-KGLIPLIRSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087988300 906110298 /nfs/dbraw/zinc/11/02/98/906110298.db2.gz ANNWSWFOLZKXHF-KGLIPLIRSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CC[N@@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000985462729 906665142 /nfs/dbraw/zinc/66/51/42/906665142.db2.gz SIUFBEZCBLACRQ-UHFFFAOYSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000985462729 906665153 /nfs/dbraw/zinc/66/51/53/906665153.db2.gz SIUFBEZCBLACRQ-UHFFFAOYSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000985462729 906665159 /nfs/dbraw/zinc/66/51/59/906665159.db2.gz SIUFBEZCBLACRQ-UHFFFAOYSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000985462729 906665164 /nfs/dbraw/zinc/66/51/64/906665164.db2.gz SIUFBEZCBLACRQ-UHFFFAOYSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001088305515 906855000 /nfs/dbraw/zinc/85/50/00/906855000.db2.gz BUOSEQQQGLACHJ-AWEZNQCLSA-N 2 2 290.411 1.889 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001184211361 918950540 /nfs/dbraw/zinc/95/05/40/918950540.db2.gz PTXNXYNAFANBAE-CYBMUJFWSA-N 2 2 282.347 1.162 20 30 CDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184272639 918964970 /nfs/dbraw/zinc/96/49/70/918964970.db2.gz GZYNTHMEEICLGH-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586650 919675071 /nfs/dbraw/zinc/67/50/71/919675071.db2.gz RSDICDBNFHOXSX-CHWSQXEVSA-N 2 2 286.379 1.043 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696619 923867897 /nfs/dbraw/zinc/86/78/97/923867897.db2.gz TZNJUXKXHWOESA-AWEZNQCLSA-N 2 2 290.411 1.760 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696619 923867911 /nfs/dbraw/zinc/86/79/11/923867911.db2.gz TZNJUXKXHWOESA-AWEZNQCLSA-N 2 2 290.411 1.760 20 30 CDEDLP C[NH+](C)C1(CNc2nccc(F)c2C#N)CC[NH+](C)CC1 ZINC001156182458 927405656 /nfs/dbraw/zinc/40/56/56/927405656.db2.gz UOUJVBZHKKUTFU-UHFFFAOYSA-N 2 2 291.374 1.530 20 30 CDEDLP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108834841 928660251 /nfs/dbraw/zinc/66/02/51/928660251.db2.gz BXCPMIMMOGMFIZ-ZNMIVQPWSA-N 2 2 288.395 1.428 20 30 CDEDLP C=CC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115750087 937417611 /nfs/dbraw/zinc/41/76/11/937417611.db2.gz JPLJCQNWBRLEKY-UHFFFAOYSA-N 2 2 276.384 1.547 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945198 930553075 /nfs/dbraw/zinc/55/30/75/930553075.db2.gz WJLLSHZKMOLBLG-CHWSQXEVSA-N 2 2 278.400 1.412 20 30 CDEDLP C=CCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001245995174 930857420 /nfs/dbraw/zinc/85/74/20/930857420.db2.gz MCKQDKWWDOHLFG-KKUMJFAQSA-N 2 2 270.417 1.044 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383169 938360739 /nfs/dbraw/zinc/36/07/39/938360739.db2.gz GUSJGKYDPJJXBT-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383169 938360740 /nfs/dbraw/zinc/36/07/40/938360740.db2.gz GUSJGKYDPJJXBT-CYBMUJFWSA-N 2 2 278.400 1.365 20 30 CDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(N)c[nH+]1 ZINC001159921314 938759974 /nfs/dbraw/zinc/75/99/74/938759974.db2.gz OLKXATDBHNWWMB-LBPRGKRZSA-N 2 2 278.356 1.303 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160844501 938832570 /nfs/dbraw/zinc/83/25/70/938832570.db2.gz HXOQLGHCLCLGDU-UHFFFAOYSA-N 2 2 277.368 1.305 20 30 CDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989825 938950340 /nfs/dbraw/zinc/95/03/40/938950340.db2.gz PMAKBDFBPLCEQQ-UHFFFAOYSA-N 2 2 286.379 1.045 20 30 CDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989825 938950341 /nfs/dbraw/zinc/95/03/41/938950341.db2.gz PMAKBDFBPLCEQQ-UHFFFAOYSA-N 2 2 286.379 1.045 20 30 CDEDLP N#CCc1ccc[nH+]c1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163271969 939237741 /nfs/dbraw/zinc/23/77/41/939237741.db2.gz UHQGWCJYBOTZLA-CJNGLKHVSA-N 2 2 286.379 1.718 20 30 CDEDLP Cc1ccc(C#N)nc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164206958 939429926 /nfs/dbraw/zinc/42/99/26/939429926.db2.gz MRHHGJJILLDEPN-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C#N)c1 ZINC001205135872 939826575 /nfs/dbraw/zinc/82/65/75/939826575.db2.gz AWXPMHPTRIYRCL-SMDDNHRTSA-N 2 2 259.353 1.593 20 30 CDEDLP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C#N)c1 ZINC001205135872 939826577 /nfs/dbraw/zinc/82/65/77/939826577.db2.gz AWXPMHPTRIYRCL-SMDDNHRTSA-N 2 2 259.353 1.593 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222092993 941563939 /nfs/dbraw/zinc/56/39/39/941563939.db2.gz ZMSPURZKPUJRAC-OAHLLOKOSA-N 2 2 288.395 1.267 20 30 CDEDLP C=CCC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225174183 941828162 /nfs/dbraw/zinc/82/81/62/941828162.db2.gz IYHQWJJRNIOOAC-UHFFFAOYSA-N 2 2 290.411 1.367 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229939695 942554744 /nfs/dbraw/zinc/55/47/44/942554744.db2.gz KAJJDMQGMRVUCD-ZIAGYGMSSA-N 2 2 288.395 1.301 20 30 CDEDLP Cc1cc(N2CC[NH+](Cc3cc(C#N)ccn3)CC2)cc[nH+]1 ZINC001232481701 943294077 /nfs/dbraw/zinc/29/40/77/943294077.db2.gz IVFFRZUCNZRDHA-UHFFFAOYSA-N 2 2 293.374 1.979 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642028 943924871 /nfs/dbraw/zinc/92/48/71/943924871.db2.gz GJWPHOKHVZJKJE-HUUCEWRRSA-N 2 2 297.418 1.222 20 30 CDEDLP CCC[NH+]1CCC([NH2+][C@@H](CC(C)C)C(=O)NO)CC1 ZINC001258771634 945409690 /nfs/dbraw/zinc/40/96/90/945409690.db2.gz MFZIYBJRDWYRTF-ZDUSSCGKSA-N 2 2 271.405 1.371 20 30 CDEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001245983504 947877757 /nfs/dbraw/zinc/87/77/57/947877757.db2.gz LCMQGXGBRTYJAB-KLHDSHLOSA-N 2 2 282.428 1.450 20 30 CDEDLP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256214742 948248125 /nfs/dbraw/zinc/24/81/25/948248125.db2.gz LUHKUVQOMBTBKQ-CYBMUJFWSA-N 2 2 281.400 1.457 20 30 CDEDLP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256214742 948248133 /nfs/dbraw/zinc/24/81/33/948248133.db2.gz LUHKUVQOMBTBKQ-CYBMUJFWSA-N 2 2 281.400 1.457 20 30 CDEDLP C=C[C@H](COC)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC001323998067 961099778 /nfs/dbraw/zinc/09/97/78/961099778.db2.gz XIGFYZOYOTXMFM-CYBMUJFWSA-N 2 2 284.400 1.195 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001421133651 963470646 /nfs/dbraw/zinc/47/06/46/963470646.db2.gz JPBPNDNYFCSRAW-GFCCVEGCSA-N 2 2 282.775 1.285 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001444925342 966003810 /nfs/dbraw/zinc/00/38/10/966003810.db2.gz WWVGRTZOPYXCNW-CYBMUJFWSA-N 2 2 298.818 1.744 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445483307 966210084 /nfs/dbraw/zinc/21/00/84/966210084.db2.gz YUJQRVQYMKZECA-SECBINFHSA-N 2 2 270.764 1.107 20 30 CDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391569 968210589 /nfs/dbraw/zinc/21/05/89/968210589.db2.gz RPFDMEJUDRNVON-UHFFFAOYSA-N 2 2 296.802 1.579 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001100715622 969002984 /nfs/dbraw/zinc/00/29/84/969002984.db2.gz TXJQHEFAVAMOAI-HSBZDZAISA-N 2 2 276.384 1.505 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221952 1163204247 /nfs/dbraw/zinc/20/42/47/1163204247.db2.gz RAUYSGRMZHCLAX-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221952 1163204251 /nfs/dbraw/zinc/20/42/51/1163204251.db2.gz RAUYSGRMZHCLAX-LSDHHAIUSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132782843 1163477063 /nfs/dbraw/zinc/47/70/63/1163477063.db2.gz TXZHYKTXDJXYJN-UONOGXRCSA-N 2 2 290.411 1.603 20 30 CDEDLP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593000075 342753019 /nfs/dbraw/zinc/75/30/19/342753019.db2.gz JPZAYXWBXJOBLY-GOSISDBHSA-N 2 2 298.434 1.770 20 30 CDEDLP C[N@H+]1CCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593000075 342753021 /nfs/dbraw/zinc/75/30/21/342753021.db2.gz JPZAYXWBXJOBLY-GOSISDBHSA-N 2 2 298.434 1.770 20 30 CDEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCOC3)CC2)c1 ZINC000593692423 342823460 /nfs/dbraw/zinc/82/34/60/342823460.db2.gz FDEOLFZKFCQAEF-QGZVFWFLSA-N 2 2 285.391 1.901 20 30 CDEDLP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1)C1CC1 ZINC000290066052 361987293 /nfs/dbraw/zinc/98/72/93/361987293.db2.gz TUZCWAVWBVLXJN-MRXNPFEDSA-N 2 2 273.380 1.445 20 30 CDEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290066052 361987298 /nfs/dbraw/zinc/98/72/98/361987298.db2.gz TUZCWAVWBVLXJN-MRXNPFEDSA-N 2 2 273.380 1.445 20 30 CDEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290066052 361987305 /nfs/dbraw/zinc/98/73/05/361987305.db2.gz TUZCWAVWBVLXJN-MRXNPFEDSA-N 2 2 273.380 1.445 20 30 CDEDLP N#CC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000601966202 344298368 /nfs/dbraw/zinc/29/83/68/344298368.db2.gz QLAQBCURPVFPAU-GOSISDBHSA-N 2 2 299.418 1.907 20 30 CDEDLP N#CC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000601966202 344298370 /nfs/dbraw/zinc/29/83/70/344298370.db2.gz QLAQBCURPVFPAU-GOSISDBHSA-N 2 2 299.418 1.907 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000602675961 344525846 /nfs/dbraw/zinc/52/58/46/344525846.db2.gz XSHMNPCLHPXZBV-KGLIPLIRSA-N 2 2 253.390 1.363 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000602675961 344525848 /nfs/dbraw/zinc/52/58/48/344525848.db2.gz XSHMNPCLHPXZBV-KGLIPLIRSA-N 2 2 253.390 1.363 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1=O ZINC000584771434 346428013 /nfs/dbraw/zinc/42/80/13/346428013.db2.gz IQZBXRBDKNAGMY-KKUMJFAQSA-N 2 2 277.412 1.380 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1=O ZINC000584771434 346428014 /nfs/dbraw/zinc/42/80/14/346428014.db2.gz IQZBXRBDKNAGMY-KKUMJFAQSA-N 2 2 277.412 1.380 20 30 CDEDLP N#CCN1CCC([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000611278589 346734447 /nfs/dbraw/zinc/73/44/47/346734447.db2.gz UQIIGRYJZNPXJF-UHFFFAOYSA-N 2 2 269.352 1.412 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000174945314 347663509 /nfs/dbraw/zinc/66/35/09/347663509.db2.gz QGVOIUXHMVVYFG-KBPBESRZSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000174945314 347663510 /nfs/dbraw/zinc/66/35/10/347663510.db2.gz QGVOIUXHMVVYFG-KBPBESRZSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000174945314 347663512 /nfs/dbraw/zinc/66/35/12/347663512.db2.gz QGVOIUXHMVVYFG-KBPBESRZSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000174945314 347663515 /nfs/dbraw/zinc/66/35/15/347663515.db2.gz QGVOIUXHMVVYFG-KBPBESRZSA-N 2 2 267.417 1.341 20 30 CDEDLP COCC[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602526628 350118962 /nfs/dbraw/zinc/11/89/62/350118962.db2.gz DUHISQCMJRXQFC-UHFFFAOYSA-N 2 2 274.368 1.154 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000621858975 350816249 /nfs/dbraw/zinc/81/62/49/350816249.db2.gz NPESEZUIXYPXSW-UHFFFAOYSA-N 2 2 290.411 1.844 20 30 CDEDLP C=CC[NH+](CC=C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000298774228 356912421 /nfs/dbraw/zinc/91/24/21/356912421.db2.gz YQPPFBRIXUUABE-AWEZNQCLSA-N 2 2 265.401 1.213 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341098264 366479241 /nfs/dbraw/zinc/47/92/41/366479241.db2.gz BUPDJPVIGXNUAX-OAHLLOKOSA-N 2 2 297.362 1.303 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341098264 366479245 /nfs/dbraw/zinc/47/92/45/366479245.db2.gz BUPDJPVIGXNUAX-OAHLLOKOSA-N 2 2 297.362 1.303 20 30 CDEDLP N#Cc1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)c(F)c1 ZINC000159789534 237159022 /nfs/dbraw/zinc/15/90/22/237159022.db2.gz QOANATNOJIJDNL-UHFFFAOYSA-N 2 2 299.353 1.716 20 30 CDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCNC(=O)CC1)C(C)C ZINC000634952331 360546258 /nfs/dbraw/zinc/54/62/58/360546258.db2.gz VUOOFRBTEWSYJD-CVEARBPZSA-N 2 2 293.455 1.943 20 30 CDEDLP CC(C)CC[N@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000429669960 360866513 /nfs/dbraw/zinc/86/65/13/360866513.db2.gz FRMTVNRNWJQATJ-UHFFFAOYSA-N 2 2 294.443 1.412 20 30 CDEDLP CC(C)CC[N@@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000429669960 360866516 /nfs/dbraw/zinc/86/65/16/360866516.db2.gz FRMTVNRNWJQATJ-UHFFFAOYSA-N 2 2 294.443 1.412 20 30 CDEDLP C=CCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000338992449 361182284 /nfs/dbraw/zinc/18/22/84/361182284.db2.gz JKFBNKPAACODJU-OAHLLOKOSA-N 2 2 268.401 1.233 20 30 CDEDLP C=CCOCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000338992449 361182285 /nfs/dbraw/zinc/18/22/85/361182285.db2.gz JKFBNKPAACODJU-OAHLLOKOSA-N 2 2 268.401 1.233 20 30 CDEDLP COc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1C#N ZINC000087822533 361675644 /nfs/dbraw/zinc/67/56/44/361675644.db2.gz MHKZJVROOFYRTL-UHFFFAOYSA-N 2 2 259.353 1.752 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000058157810 375676295 /nfs/dbraw/zinc/67/62/95/375676295.db2.gz XZCZZIACKGIBDV-JTQLQIEISA-N 2 2 252.387 1.441 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419725309 376155963 /nfs/dbraw/zinc/15/59/63/376155963.db2.gz IGWSARLAEOUQEO-OCCSQVGLSA-N 2 2 278.400 1.557 20 30 CDEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000247489752 377129412 /nfs/dbraw/zinc/12/94/12/377129412.db2.gz KWBMSADNUVVETH-CABCVRRESA-N 2 2 294.443 1.411 20 30 CDEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000247489752 377129416 /nfs/dbraw/zinc/12/94/16/377129416.db2.gz KWBMSADNUVVETH-CABCVRRESA-N 2 2 294.443 1.411 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076003585 377219347 /nfs/dbraw/zinc/21/93/47/377219347.db2.gz VATGQBBTCZACAO-KBPBESRZSA-N 2 2 267.417 1.341 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076003585 377219356 /nfs/dbraw/zinc/21/93/56/377219356.db2.gz VATGQBBTCZACAO-KBPBESRZSA-N 2 2 267.417 1.341 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442659621 378067459 /nfs/dbraw/zinc/06/74/59/378067459.db2.gz YKHMMDANXCMZPS-RRFJBIMHSA-N 2 2 265.401 1.625 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442659621 378067461 /nfs/dbraw/zinc/06/74/61/378067461.db2.gz YKHMMDANXCMZPS-RRFJBIMHSA-N 2 2 265.401 1.625 20 30 CDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N1CCCC1 ZINC000103338297 390476122 /nfs/dbraw/zinc/47/61/22/390476122.db2.gz DAXNRGQRAGKKMM-UHFFFAOYSA-N 2 2 292.452 1.777 20 30 CDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N1CCCC1 ZINC000103338297 390476123 /nfs/dbraw/zinc/47/61/23/390476123.db2.gz DAXNRGQRAGKKMM-UHFFFAOYSA-N 2 2 292.452 1.777 20 30 CDEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)C2 ZINC000329512016 391001580 /nfs/dbraw/zinc/00/15/80/391001580.db2.gz KWLSAOJAUCJASJ-JSGCOSHPSA-N 2 2 292.383 1.041 20 30 CDEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)C2 ZINC000329512016 391001584 /nfs/dbraw/zinc/00/15/84/391001584.db2.gz KWLSAOJAUCJASJ-JSGCOSHPSA-N 2 2 292.383 1.041 20 30 CDEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])NCC(C)C ZINC000261970743 391745179 /nfs/dbraw/zinc/74/51/79/391745179.db2.gz DAQXGURXOGKMDH-UHFFFAOYSA-N 2 2 286.383 1.636 20 30 CDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000515060495 392779370 /nfs/dbraw/zinc/77/93/70/392779370.db2.gz MCSXHBFALJQHMD-RISCZKNCSA-N 2 2 284.367 1.173 20 30 CDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1C ZINC000515060495 392779378 /nfs/dbraw/zinc/77/93/78/392779378.db2.gz MCSXHBFALJQHMD-RISCZKNCSA-N 2 2 284.367 1.173 20 30 CDEDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000234380279 140229139 /nfs/dbraw/zinc/22/91/39/140229139.db2.gz DXUDYJZJSCNQNW-CQSZACIVSA-N 2 2 273.380 1.998 20 30 CDEDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000234380279 140229141 /nfs/dbraw/zinc/22/91/41/140229141.db2.gz DXUDYJZJSCNQNW-CQSZACIVSA-N 2 2 273.380 1.998 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000361226384 261177985 /nfs/dbraw/zinc/17/79/85/261177985.db2.gz BAGDATFJORLFKH-GOEBONIOSA-N 3 2 265.445 1.957 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000361226384 261177987 /nfs/dbraw/zinc/17/79/87/261177987.db2.gz BAGDATFJORLFKH-GOEBONIOSA-N 3 2 265.445 1.957 20 30 CDEDLP CC(C)Oc1ccc([C@@H](CNC(N)=[NH2+])[NH+](C)C)cc1 ZINC000287239157 263101311 /nfs/dbraw/zinc/10/13/11/263101311.db2.gz ORHHRBKRRJRLBD-CYBMUJFWSA-N 2 2 264.373 1.350 20 30 CDEDLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000331217348 264164912 /nfs/dbraw/zinc/16/49/12/264164912.db2.gz FZSLFACBUQJPBM-GFCCVEGCSA-N 2 2 298.431 1.230 20 30 CDEDLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000331217348 264164913 /nfs/dbraw/zinc/16/49/13/264164913.db2.gz FZSLFACBUQJPBM-GFCCVEGCSA-N 2 2 298.431 1.230 20 30 CDEDLP C=C(Cl)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294589 267383724 /nfs/dbraw/zinc/38/37/24/267383724.db2.gz LVQJLWFNVOZTLF-RWMBFGLXSA-N 2 2 258.793 1.922 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294589 267383728 /nfs/dbraw/zinc/38/37/28/267383728.db2.gz LVQJLWFNVOZTLF-RWMBFGLXSA-N 2 2 258.793 1.922 20 30 CDEDLP C=CCSCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000231930060 329381720 /nfs/dbraw/zinc/38/17/20/329381720.db2.gz NVPQMLUTCKISBY-UHFFFAOYSA-N 2 2 254.403 1.495 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420371921 329762979 /nfs/dbraw/zinc/76/29/79/329762979.db2.gz PWJORRZZXINSBA-KCQAQPDRSA-N 2 2 265.401 1.163 20 30 CDEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CC[C@@](C)(CC)C1 ZINC000261730585 329980307 /nfs/dbraw/zinc/98/03/07/329980307.db2.gz JKMSGPJVAJYRKS-OAHLLOKOSA-N 2 2 266.433 1.780 20 30 CDEDLP C#CCNC(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]CC ZINC000262638259 330023926 /nfs/dbraw/zinc/02/39/26/330023926.db2.gz NWLJFBXMPHUOHU-OKILXGFUSA-N 2 2 294.443 1.063 20 30 CDEDLP C#CCNC(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]CC ZINC000262638259 330023928 /nfs/dbraw/zinc/02/39/28/330023928.db2.gz NWLJFBXMPHUOHU-OKILXGFUSA-N 2 2 294.443 1.063 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000490759749 332112955 /nfs/dbraw/zinc/11/29/55/332112955.db2.gz GCJLKBADFDGSCG-CVEARBPZSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000490759749 332112956 /nfs/dbraw/zinc/11/29/56/332112956.db2.gz GCJLKBADFDGSCG-CVEARBPZSA-N 2 2 289.423 1.028 20 30 CDEDLP CCC#C[C@H](C)[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000671730119 482535483 /nfs/dbraw/zinc/53/54/83/482535483.db2.gz FBLJINCPKPCMDG-INIZCTEOSA-N 2 2 296.455 1.848 20 30 CDEDLP Cn1cc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1C#N ZINC000365135615 527216214 /nfs/dbraw/zinc/21/62/14/527216214.db2.gz KMJANQMNPOLVFY-ZDUSSCGKSA-N 2 2 269.352 1.760 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000730284680 574910350 /nfs/dbraw/zinc/91/03/50/574910350.db2.gz QLRISMVILGJJTA-GJZGRUSLSA-N 2 2 286.379 1.144 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000730284680 574910351 /nfs/dbraw/zinc/91/03/51/574910351.db2.gz QLRISMVILGJJTA-GJZGRUSLSA-N 2 2 286.379 1.144 20 30 CDEDLP C=C(C)CNC(=S)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732720279 575094634 /nfs/dbraw/zinc/09/46/34/575094634.db2.gz HNHDSYOOFLBQSR-ZDUSSCGKSA-N 2 2 296.484 1.195 20 30 CDEDLP C=C(C)CNC(=S)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732720279 575094635 /nfs/dbraw/zinc/09/46/35/575094635.db2.gz HNHDSYOOFLBQSR-ZDUSSCGKSA-N 2 2 296.484 1.195 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000764650121 575930470 /nfs/dbraw/zinc/93/04/70/575930470.db2.gz PAFKBVMNUZQVFA-UHFFFAOYSA-N 2 2 284.363 1.606 20 30 CDEDLP CN(C)c1ccc(C=[NH+]NC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000753936707 576867221 /nfs/dbraw/zinc/86/72/21/576867221.db2.gz UCJKYKFXOCOOCN-GJZGRUSLSA-N 2 2 285.395 1.947 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2CC(C)C)CC1 ZINC000748816650 576926850 /nfs/dbraw/zinc/92/68/50/576926850.db2.gz UIMMFXJHYRFBHC-INIZCTEOSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2CC(C)C)CC1 ZINC000748816650 576926853 /nfs/dbraw/zinc/92/68/53/576926853.db2.gz UIMMFXJHYRFBHC-INIZCTEOSA-N 2 2 291.439 1.274 20 30 CDEDLP Cc1ccn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(=O)c1C#N ZINC000758222249 577084807 /nfs/dbraw/zinc/08/48/07/577084807.db2.gz ILQPEJJXVGQMEV-AWEZNQCLSA-N 2 2 297.362 1.520 20 30 CDEDLP Cc1ccn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(=O)c1C#N ZINC000758222249 577084809 /nfs/dbraw/zinc/08/48/09/577084809.db2.gz ILQPEJJXVGQMEV-AWEZNQCLSA-N 2 2 297.362 1.520 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040537 613288996 /nfs/dbraw/zinc/28/89/96/613288996.db2.gz RFYMSNSWJPGOEM-AWEZNQCLSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040537 613288998 /nfs/dbraw/zinc/28/89/98/613288998.db2.gz RFYMSNSWJPGOEM-AWEZNQCLSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000950631305 613294676 /nfs/dbraw/zinc/29/46/76/613294676.db2.gz KFJIGFCOHWFPGR-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000950631305 613294678 /nfs/dbraw/zinc/29/46/78/613294678.db2.gz KFJIGFCOHWFPGR-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977658870 613297665 /nfs/dbraw/zinc/29/76/65/613297665.db2.gz VNXVEMNRPMVPGH-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977658870 613297666 /nfs/dbraw/zinc/29/76/66/613297666.db2.gz VNXVEMNRPMVPGH-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658870 613297667 /nfs/dbraw/zinc/29/76/67/613297667.db2.gz VNXVEMNRPMVPGH-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658870 613297668 /nfs/dbraw/zinc/29/76/68/613297668.db2.gz VNXVEMNRPMVPGH-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968700698 613529253 /nfs/dbraw/zinc/52/92/53/613529253.db2.gz ARQOKXSANKIRMV-KBPBESRZSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968700698 613529254 /nfs/dbraw/zinc/52/92/54/613529254.db2.gz ARQOKXSANKIRMV-KBPBESRZSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971817720 613617454 /nfs/dbraw/zinc/61/74/54/613617454.db2.gz JGYUQIXJXAGURQ-DZGCQCFKSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971817720 613617455 /nfs/dbraw/zinc/61/74/55/613617455.db2.gz JGYUQIXJXAGURQ-DZGCQCFKSA-N 2 2 288.395 1.164 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(C#N)c[nH]c3n2)CC1 ZINC001157915293 1162544574 /nfs/dbraw/zinc/54/45/74/1162544574.db2.gz PSBVOQHCTRPERV-UHFFFAOYSA-N 2 2 283.339 1.029 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477936 1162632536 /nfs/dbraw/zinc/63/25/36/1162632536.db2.gz OQBZYJPEHUORBG-ZIAGYGMSSA-N 2 2 290.411 1.506 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664519 1163839958 /nfs/dbraw/zinc/83/99/58/1163839958.db2.gz SHEHMKUHMUXPKL-LBPRGKRZSA-N 2 2 276.384 1.502 20 30 CDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155468573 1167182169 /nfs/dbraw/zinc/18/21/69/1167182169.db2.gz CPCYGLMMYIJZGY-GFCCVEGCSA-N 2 2 264.373 1.355 20 30 CDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155468573 1167182174 /nfs/dbraw/zinc/18/21/74/1167182174.db2.gz CPCYGLMMYIJZGY-GFCCVEGCSA-N 2 2 264.373 1.355 20 30 CDEDLP Cc1c[nH+]c(NCC[C@@H]2CCOC23C[NH2+]C3)c(/C=N/O)c1 ZINC001155476948 1167188078 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C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072082120 697934766 /nfs/dbraw/zinc/93/47/66/697934766.db2.gz WDUPWINXJRFLRY-KGLIPLIRSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072082120 697934774 /nfs/dbraw/zinc/93/47/74/697934774.db2.gz WDUPWINXJRFLRY-KGLIPLIRSA-N 2 2 299.846 1.804 20 30 CDEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035762874 697999130 /nfs/dbraw/zinc/99/91/30/697999130.db2.gz IUTFHVGIQPCAAL-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042173126 698014433 /nfs/dbraw/zinc/01/44/33/698014433.db2.gz LWLRKFAPFFJYOA-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042173126 698014434 /nfs/dbraw/zinc/01/44/34/698014434.db2.gz LWLRKFAPFFJYOA-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001073045205 698066319 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C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687253 926286638 /nfs/dbraw/zinc/28/66/38/926286638.db2.gz LSLOAIFXEDLQAQ-CVEARBPZSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687253 926286642 /nfs/dbraw/zinc/28/66/42/926286642.db2.gz LSLOAIFXEDLQAQ-CVEARBPZSA-N 2 2 291.439 1.273 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102611104 937068886 /nfs/dbraw/zinc/06/88/86/937068886.db2.gz FVXBYIXEAMTEAE-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102611104 937068889 /nfs/dbraw/zinc/06/88/89/937068889.db2.gz FVXBYIXEAMTEAE-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086126393 926733676 /nfs/dbraw/zinc/73/36/76/926733676.db2.gz ZRLXTVMYLSCYHX-MCIONIFRSA-N 2 2 288.395 1.116 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170023243 929055897 /nfs/dbraw/zinc/05/58/97/929055897.db2.gz VCUGDVCSUBLENW-UHFFFAOYSA-N 2 2 284.363 1.768 20 30 CDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110052622 929126052 /nfs/dbraw/zinc/12/60/52/929126052.db2.gz VYAAGUQWRCJIRS-SNPRPXQTSA-N 2 2 288.395 1.260 20 30 CDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110052622 929126059 /nfs/dbraw/zinc/12/60/59/929126059.db2.gz VYAAGUQWRCJIRS-SNPRPXQTSA-N 2 2 288.395 1.260 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618398 937377005 /nfs/dbraw/zinc/37/70/05/937377005.db2.gz MLVXVZHRQWFXBU-OAHLLOKOSA-N 2 2 290.411 1.356 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135132778 930068501 /nfs/dbraw/zinc/06/85/01/930068501.db2.gz UHMWLDUNMVBYKZ-KGLIPLIRSA-N 2 2 278.400 1.722 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798834 930428623 /nfs/dbraw/zinc/42/86/23/930428623.db2.gz MQTJHUMWEFIDQW-VXGBXAGGSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(NC)cc[nH+]1 ZINC001171067403 931483133 /nfs/dbraw/zinc/48/31/33/931483133.db2.gz CDTWPYNVLLWRHX-NSHDSACASA-N 2 2 293.371 1.157 20 30 CDEDLP N#Cc1cncc(C[N@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001144083546 931652769 /nfs/dbraw/zinc/65/27/69/931652769.db2.gz JYXCBYTZIHVRRC-UHFFFAOYSA-N 2 2 253.309 1.208 20 30 CDEDLP N#Cc1cncc(C[N@@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001144083546 931652770 /nfs/dbraw/zinc/65/27/70/931652770.db2.gz JYXCBYTZIHVRRC-UHFFFAOYSA-N 2 2 253.309 1.208 20 30 CDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)n1 ZINC001275605896 931904997 /nfs/dbraw/zinc/90/49/97/931904997.db2.gz QRJAGBVDQKHBFD-CALCHBBNSA-N 2 2 299.422 1.163 20 30 CDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)n1 ZINC001275605896 931905002 /nfs/dbraw/zinc/90/50/02/931905002.db2.gz QRJAGBVDQKHBFD-CALCHBBNSA-N 2 2 299.422 1.163 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146778137 932299488 /nfs/dbraw/zinc/29/94/88/932299488.db2.gz HTEKRNTVVUBKET-RYUDHWBXSA-N 2 2 284.791 1.509 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001121908578 937889138 /nfs/dbraw/zinc/88/91/38/937889138.db2.gz ADBNGZWZOFILTO-VXGBXAGGSA-N 2 2 250.346 1.071 20 30 CDEDLP Cc1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c(C#N)n1 ZINC001156185623 938330766 /nfs/dbraw/zinc/33/07/66/938330766.db2.gz UIGICYUQAKOWEJ-UHFFFAOYSA-N 2 2 288.399 1.095 20 30 CDEDLP Cc1ccc(C#N)c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258622 938601316 /nfs/dbraw/zinc/60/13/16/938601316.db2.gz DXKBHEFROQRWKA-CQSZACIVSA-N 2 2 285.395 1.264 20 30 CDEDLP Cc1ccc(C#N)c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258622 938601317 /nfs/dbraw/zinc/60/13/17/938601317.db2.gz DXKBHEFROQRWKA-CQSZACIVSA-N 2 2 285.395 1.264 20 30 CDEDLP N#Cc1cc(Cl)cnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160513531 938793164 /nfs/dbraw/zinc/79/31/64/938793164.db2.gz OXGSQWAFSHIICS-CQSZACIVSA-N 2 2 291.786 1.442 20 30 CDEDLP N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c12 ZINC001165431156 939564371 /nfs/dbraw/zinc/56/43/71/939564371.db2.gz CZKHHXWQULBXBR-ZYHUDNBSSA-N 2 2 299.353 1.948 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166401554 939607729 /nfs/dbraw/zinc/60/77/29/939607729.db2.gz GPHGQGMHOOEJFQ-GFCCVEGCSA-N 2 2 276.384 1.502 20 30 CDEDLP C=CCN(CC[N@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC001209015200 940423753 /nfs/dbraw/zinc/42/37/53/940423753.db2.gz JHBNUSXHDAVHKB-UHFFFAOYSA-N 2 2 271.405 1.514 20 30 CDEDLP C=CCN(CC[N@@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC001209015200 940423754 /nfs/dbraw/zinc/42/37/54/940423754.db2.gz JHBNUSXHDAVHKB-UHFFFAOYSA-N 2 2 271.405 1.514 20 30 CDEDLP C#CCCC[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001209263750 940454349 /nfs/dbraw/zinc/45/43/49/940454349.db2.gz PZXJQLOXGWZCKN-HOTGVXAUSA-N 2 2 269.392 1.859 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210674354 940706015 /nfs/dbraw/zinc/70/60/15/940706015.db2.gz SYQCHULRJDQRQM-ZDUSSCGKSA-N 2 2 290.411 1.844 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210717957 940707632 /nfs/dbraw/zinc/70/76/32/940707632.db2.gz NURAOSZMAMICMD-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210717957 940707636 /nfs/dbraw/zinc/70/76/36/940707636.db2.gz NURAOSZMAMICMD-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP Cc1cc(C#N)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)s1 ZINC001218555091 941236044 /nfs/dbraw/zinc/23/60/44/941236044.db2.gz NZMZLJUPOZISLW-NSHDSACASA-N 2 2 289.364 1.170 20 30 CDEDLP CCc1ccc(CN(CC[NH3+])C(=O)C[NH2+]CCC#N)cc1 ZINC001220904931 941485337 /nfs/dbraw/zinc/48/53/37/941485337.db2.gz IYIGAVLVOUQUBP-UHFFFAOYSA-N 2 2 288.395 1.040 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089708 941562887 /nfs/dbraw/zinc/56/28/87/941562887.db2.gz SMZSPGJYHPEVIU-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089708 941562890 /nfs/dbraw/zinc/56/28/90/941562890.db2.gz SMZSPGJYHPEVIU-HUUCEWRRSA-N 2 2 288.395 1.382 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001228852947 942383842 /nfs/dbraw/zinc/38/38/42/942383842.db2.gz LXMNKOOSCQQLCC-RBSFLKMASA-N 2 2 288.395 1.484 20 30 CDEDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3O)C[C@@H]2C1 ZINC001233388216 943574440 /nfs/dbraw/zinc/57/44/40/943574440.db2.gz QKZLVTKGZIFDLI-GASCZTMLSA-N 2 2 271.364 1.647 20 30 CDEDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3O)C[C@@H]2C1 ZINC001233388216 943574441 /nfs/dbraw/zinc/57/44/41/943574441.db2.gz QKZLVTKGZIFDLI-GASCZTMLSA-N 2 2 271.364 1.647 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3O)C[C@@H]2C1 ZINC001233388216 943574444 /nfs/dbraw/zinc/57/44/44/943574444.db2.gz QKZLVTKGZIFDLI-GASCZTMLSA-N 2 2 271.364 1.647 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3O)C[C@@H]2C1 ZINC001233388216 943574446 /nfs/dbraw/zinc/57/44/46/943574446.db2.gz QKZLVTKGZIFDLI-GASCZTMLSA-N 2 2 271.364 1.647 20 30 CDEDLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](CCC#N)C2)C1 ZINC001277939181 944132427 /nfs/dbraw/zinc/13/24/27/944132427.db2.gz OPCXIVWWXCVRPO-INIZCTEOSA-N 2 2 278.444 1.640 20 30 CDEDLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](CCC#N)C2)C1 ZINC001277939181 944132429 /nfs/dbraw/zinc/13/24/29/944132429.db2.gz OPCXIVWWXCVRPO-INIZCTEOSA-N 2 2 278.444 1.640 20 30 CDEDLP N#Cc1cc(Cl)cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001236001465 944368040 /nfs/dbraw/zinc/36/80/40/944368040.db2.gz HGYSRLNEBFAXNY-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP N#Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001236001465 944368044 /nfs/dbraw/zinc/36/80/44/944368044.db2.gz HGYSRLNEBFAXNY-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)NO ZINC001256569220 948347994 /nfs/dbraw/zinc/34/79/94/948347994.db2.gz VTQOBMPTICLGSU-AAEUAGOBSA-N 2 2 285.432 1.759 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603265 948361009 /nfs/dbraw/zinc/36/10/09/948361009.db2.gz AOPOSTAGOQYJPZ-QGZVFWFLSA-N 2 2 284.407 1.448 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246772113 948433121 /nfs/dbraw/zinc/43/31/21/948433121.db2.gz YHVDCWLAOAMMHU-WCXIOVBPSA-N 2 2 294.439 1.953 20 30 CDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246772113 948433125 /nfs/dbraw/zinc/43/31/25/948433125.db2.gz YHVDCWLAOAMMHU-WCXIOVBPSA-N 2 2 294.439 1.953 20 30 CDEDLP C[C@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001251974010 951018501 /nfs/dbraw/zinc/01/85/01/951018501.db2.gz SQZUMRCGGFMJMO-ZDUSSCGKSA-N 2 2 273.380 1.493 20 30 CDEDLP C=CCOC[C@@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001252460902 951302274 /nfs/dbraw/zinc/30/22/74/951302274.db2.gz IJJCWRGFIJCXRY-AWEZNQCLSA-N 2 2 292.379 1.488 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422904340 956440197 /nfs/dbraw/zinc/44/01/97/956440197.db2.gz BVOXRBKZOKEHCS-QWHCGFSZSA-N 2 2 289.851 1.762 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422904340 956440206 /nfs/dbraw/zinc/44/02/06/956440206.db2.gz BVOXRBKZOKEHCS-QWHCGFSZSA-N 2 2 289.851 1.762 20 30 CDEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C#CC1CC1 ZINC001348039374 965798858 /nfs/dbraw/zinc/79/88/58/965798858.db2.gz WIYMYZWSZQWGSU-UHFFFAOYSA-N 2 2 266.304 1.928 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100293495 967923182 /nfs/dbraw/zinc/92/31/82/967923182.db2.gz WHBOWIYMOTYJMH-UHFFFAOYSA-N 2 2 276.384 1.403 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001371965419 972720610 /nfs/dbraw/zinc/72/06/10/972720610.db2.gz UOVMXKGENRNLJA-CYBMUJFWSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001371965419 972720617 /nfs/dbraw/zinc/72/06/17/972720617.db2.gz UOVMXKGENRNLJA-CYBMUJFWSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001371965419 972720628 /nfs/dbraw/zinc/72/06/28/972720628.db2.gz UOVMXKGENRNLJA-CYBMUJFWSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001371965419 972720637 /nfs/dbraw/zinc/72/06/37/972720637.db2.gz UOVMXKGENRNLJA-CYBMUJFWSA-N 2 2 287.835 1.660 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082642 342616558 /nfs/dbraw/zinc/61/65/58/342616558.db2.gz SWSNICYUAWATRR-OLZOCXBDSA-N 2 2 262.357 1.211 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082642 342616559 /nfs/dbraw/zinc/61/65/59/342616559.db2.gz SWSNICYUAWATRR-OLZOCXBDSA-N 2 2 262.357 1.211 20 30 CDEDLP Cc1cccc2[nH+]c(CCNC(=O)[C@@H]([NH3+])CCCC#N)cn21 ZINC000592345678 342686032 /nfs/dbraw/zinc/68/60/32/342686032.db2.gz IIIPFDSYMZHAGI-AWEZNQCLSA-N 2 2 299.378 1.323 20 30 CDEDLP C[NH+](C[C@H](O)C[N@@H+](C)Cc1cccc(C#N)c1)C1CC1 ZINC000290037396 361981833 /nfs/dbraw/zinc/98/18/33/361981833.db2.gz QTASTPZUWQXPJL-MRXNPFEDSA-N 2 2 273.380 1.445 20 30 CDEDLP C[NH+](C[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1)C1CC1 ZINC000290037396 361981837 /nfs/dbraw/zinc/98/18/37/361981837.db2.gz QTASTPZUWQXPJL-MRXNPFEDSA-N 2 2 273.380 1.445 20 30 CDEDLP C[NH+](Cc1cccc(C#N)c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290037396 361981842 /nfs/dbraw/zinc/98/18/42/361981842.db2.gz QTASTPZUWQXPJL-MRXNPFEDSA-N 2 2 273.380 1.445 20 30 CDEDLP C[NH+](Cc1cccc(C#N)c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290037396 361981845 /nfs/dbraw/zinc/98/18/45/361981845.db2.gz QTASTPZUWQXPJL-MRXNPFEDSA-N 2 2 273.380 1.445 20 30 CDEDLP N#CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000594607361 342925713 /nfs/dbraw/zinc/92/57/13/342925713.db2.gz TZHWLAUCAKMLBH-AWEZNQCLSA-N 2 2 263.385 1.523 20 30 CDEDLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1=CC[N@H+](C)CC1 ZINC000330003745 362118836 /nfs/dbraw/zinc/11/88/36/362118836.db2.gz AMUFKQPNDPJFPS-GFCCVEGCSA-N 2 2 276.384 1.960 20 30 CDEDLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1=CC[N@@H+](C)CC1 ZINC000330003745 362118840 /nfs/dbraw/zinc/11/88/40/362118840.db2.gz AMUFKQPNDPJFPS-GFCCVEGCSA-N 2 2 276.384 1.960 20 30 CDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CC(C)(C)C#N ZINC000598592630 343838704 /nfs/dbraw/zinc/83/87/04/343838704.db2.gz KLPQMHWZRRYDIU-QLFBSQMISA-N 2 2 279.428 1.846 20 30 CDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CC(C)(C)C#N ZINC000598592630 343838706 /nfs/dbraw/zinc/83/87/06/343838706.db2.gz KLPQMHWZRRYDIU-QLFBSQMISA-N 2 2 279.428 1.846 20 30 CDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CC(C)(C)C#N ZINC000598592630 343838708 /nfs/dbraw/zinc/83/87/08/343838708.db2.gz KLPQMHWZRRYDIU-QLFBSQMISA-N 2 2 279.428 1.846 20 30 CDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CC(C)(C)C#N ZINC000598592630 343838709 /nfs/dbraw/zinc/83/87/09/343838709.db2.gz KLPQMHWZRRYDIU-QLFBSQMISA-N 2 2 279.428 1.846 20 30 CDEDLP N#CCC1(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000602822444 344610241 /nfs/dbraw/zinc/61/02/41/344610241.db2.gz FQHNPPJYMXJDOI-OAHLLOKOSA-N 2 2 277.412 1.724 20 30 CDEDLP N#CCC1(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000602822444 344610243 /nfs/dbraw/zinc/61/02/43/344610243.db2.gz FQHNPPJYMXJDOI-OAHLLOKOSA-N 2 2 277.412 1.724 20 30 CDEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611432043 346782085 /nfs/dbraw/zinc/78/20/85/346782085.db2.gz LYVGBSSOSVSTJS-HNNXBMFYSA-N 2 2 275.400 1.357 20 30 CDEDLP CC(C)(C#N)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611462789 346792574 /nfs/dbraw/zinc/79/25/74/346792574.db2.gz XHUMGGQBGVJNPT-CQSZACIVSA-N 2 2 292.427 1.340 20 30 CDEDLP CC(C)(C#N)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611462789 346792575 /nfs/dbraw/zinc/79/25/75/346792575.db2.gz XHUMGGQBGVJNPT-CQSZACIVSA-N 2 2 292.427 1.340 20 30 CDEDLP N#Cc1cnn2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cnc12 ZINC000603894036 350326371 /nfs/dbraw/zinc/32/63/71/350326371.db2.gz GHDBVBNGKKOUAY-GJZGRUSLSA-N 2 2 296.378 1.317 20 30 CDEDLP N#Cc1cnn2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cnc12 ZINC000603894036 350326372 /nfs/dbraw/zinc/32/63/72/350326372.db2.gz GHDBVBNGKKOUAY-GJZGRUSLSA-N 2 2 296.378 1.317 20 30 CDEDLP CC[C@H](C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000264085105 362962798 /nfs/dbraw/zinc/96/27/98/362962798.db2.gz IZDQXQKWRBALJK-NSHDSACASA-N 2 2 286.383 1.779 20 30 CDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085347 351410718 /nfs/dbraw/zinc/41/07/18/351410718.db2.gz OJOVKJRLHLVNEP-MJBXVCDLSA-N 2 2 267.417 1.517 20 30 CDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085347 351410721 /nfs/dbraw/zinc/41/07/21/351410721.db2.gz OJOVKJRLHLVNEP-MJBXVCDLSA-N 2 2 267.417 1.517 20 30 CDEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCn2cc[nH+]c2C1 ZINC000329419597 538567744 /nfs/dbraw/zinc/56/77/44/538567744.db2.gz GZZCWRPKKMZHEM-OLZOCXBDSA-N 2 2 289.383 1.240 20 30 CDEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCn2cc[nH+]c2C1 ZINC000329419597 538567754 /nfs/dbraw/zinc/56/77/54/538567754.db2.gz GZZCWRPKKMZHEM-OLZOCXBDSA-N 2 2 289.383 1.240 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCn3ccnc32)CC1 ZINC000297613941 200242277 /nfs/dbraw/zinc/24/22/77/200242277.db2.gz IQZFDZPEHPRLGA-AWEZNQCLSA-N 2 2 260.385 1.958 20 30 CDEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccc1C#N ZINC000300200133 361064069 /nfs/dbraw/zinc/06/40/69/361064069.db2.gz VKQRLPQWLAYBCH-IUODEOHRSA-N 2 2 273.380 1.997 20 30 CDEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000300200133 361064073 /nfs/dbraw/zinc/06/40/73/361064073.db2.gz VKQRLPQWLAYBCH-IUODEOHRSA-N 2 2 273.380 1.997 20 30 CDEDLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329368347 361491882 /nfs/dbraw/zinc/49/18/82/361491882.db2.gz JDLCCFOEWDYJQX-GFCCVEGCSA-N 2 2 291.399 1.250 20 30 CDEDLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000329368347 361491884 /nfs/dbraw/zinc/49/18/84/361491884.db2.gz JDLCCFOEWDYJQX-GFCCVEGCSA-N 2 2 291.399 1.250 20 30 CDEDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(C#N)c(F)c1 ZINC000271935484 367037795 /nfs/dbraw/zinc/03/77/95/367037795.db2.gz JWTIUWZKYRBBEA-DOMZBBRYSA-N 2 2 290.386 1.594 20 30 CDEDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)c(F)c1 ZINC000271935484 367037796 /nfs/dbraw/zinc/03/77/96/367037796.db2.gz JWTIUWZKYRBBEA-DOMZBBRYSA-N 2 2 290.386 1.594 20 30 CDEDLP C[C@H]1C[N@H+](CCCCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362704693 369111904 /nfs/dbraw/zinc/11/19/04/369111904.db2.gz VEZWIJGXUFBSSW-JKSUJKDBSA-N 2 2 278.444 1.638 20 30 CDEDLP C[C@H]1C[N@@H+](CCCCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362704693 369111908 /nfs/dbraw/zinc/11/19/08/369111908.db2.gz VEZWIJGXUFBSSW-JKSUJKDBSA-N 2 2 278.444 1.638 20 30 CDEDLP C=CCCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000556220151 370241515 /nfs/dbraw/zinc/24/15/15/370241515.db2.gz MBHROJLLXKJCDR-OAHLLOKOSA-N 2 2 252.402 1.997 20 30 CDEDLP C=CCCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000556220151 370241518 /nfs/dbraw/zinc/24/15/18/370241518.db2.gz MBHROJLLXKJCDR-OAHLLOKOSA-N 2 2 252.402 1.997 20 30 CDEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000358197966 373947973 /nfs/dbraw/zinc/94/79/73/373947973.db2.gz YGQDRUOGNZKVHW-XJKSGUPXSA-N 2 2 273.380 1.867 20 30 CDEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000358197966 373947980 /nfs/dbraw/zinc/94/79/80/373947980.db2.gz YGQDRUOGNZKVHW-XJKSGUPXSA-N 2 2 273.380 1.867 20 30 CDEDLP CC(C)CNC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000104167862 390485539 /nfs/dbraw/zinc/48/55/39/390485539.db2.gz UYPKGGJEXIJWJL-AWEZNQCLSA-N 2 2 280.391 1.989 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](CC)CC2 ZINC000151077544 390917705 /nfs/dbraw/zinc/91/77/05/390917705.db2.gz WKRXMZULMKJTIG-QLFBSQMISA-N 2 2 252.402 1.872 20 30 CDEDLP C=CCC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](CC)CC2 ZINC000151077544 390917707 /nfs/dbraw/zinc/91/77/07/390917707.db2.gz WKRXMZULMKJTIG-QLFBSQMISA-N 2 2 252.402 1.872 20 30 CDEDLP C=CCC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](CC)CC2 ZINC000151077544 390917709 /nfs/dbraw/zinc/91/77/09/390917709.db2.gz WKRXMZULMKJTIG-QLFBSQMISA-N 2 2 252.402 1.872 20 30 CDEDLP C=CCC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](CC)CC2 ZINC000151077544 390917710 /nfs/dbraw/zinc/91/77/10/390917710.db2.gz WKRXMZULMKJTIG-QLFBSQMISA-N 2 2 252.402 1.872 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000292932142 391016303 /nfs/dbraw/zinc/01/63/03/391016303.db2.gz ZKVKNGNSZDEUAP-UHFFFAOYSA-N 2 2 290.415 1.428 20 30 CDEDLP C#CC[N@H+](C)CCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000292932142 391016307 /nfs/dbraw/zinc/01/63/07/391016307.db2.gz ZKVKNGNSZDEUAP-UHFFFAOYSA-N 2 2 290.415 1.428 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000292932142 391016313 /nfs/dbraw/zinc/01/63/13/391016313.db2.gz ZKVKNGNSZDEUAP-UHFFFAOYSA-N 2 2 290.415 1.428 20 30 CDEDLP C#CC[N@H+](C)CCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000292932142 391016316 /nfs/dbraw/zinc/01/63/16/391016316.db2.gz ZKVKNGNSZDEUAP-UHFFFAOYSA-N 2 2 290.415 1.428 20 30 CDEDLP C[C@H]1C[N@@H+](C2CC[NH+](CCOCCC#N)CC2)CCO1 ZINC000338924566 391232722 /nfs/dbraw/zinc/23/27/22/391232722.db2.gz IGVFSQPTUFQENS-AWEZNQCLSA-N 2 2 281.400 1.102 20 30 CDEDLP C[C@H]1C[N@H+](C2CC[NH+](CCOCCC#N)CC2)CCO1 ZINC000338924566 391232724 /nfs/dbraw/zinc/23/27/24/391232724.db2.gz IGVFSQPTUFQENS-AWEZNQCLSA-N 2 2 281.400 1.102 20 30 CDEDLP C=C[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000362379634 391721711 /nfs/dbraw/zinc/72/17/11/391721711.db2.gz LXCWXCBWWMXVDU-ZDUSSCGKSA-N 2 2 294.443 1.419 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(OC)n2)CC1 ZINC000190977670 130168467 /nfs/dbraw/zinc/16/84/67/130168467.db2.gz GZGZRFWPUMBBMZ-UHFFFAOYSA-N 2 2 261.369 1.830 20 30 CDEDLP CCc1ccc([C@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)cc1 ZINC000262681950 391811994 /nfs/dbraw/zinc/81/19/94/391811994.db2.gz WPAOSJTXTJKTJA-WFASDCNBSA-N 2 2 274.412 1.789 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nn1 ZINC000657375220 414242865 /nfs/dbraw/zinc/24/28/65/414242865.db2.gz FLLGMYZDHSGKQK-STQMWFEESA-N 2 2 263.389 1.427 20 30 CDEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nn1 ZINC000657375220 414242875 /nfs/dbraw/zinc/24/28/75/414242875.db2.gz FLLGMYZDHSGKQK-STQMWFEESA-N 2 2 263.389 1.427 20 30 CDEDLP C[NH+](C)Cc1cnc(C[NH2+]CC2(CC#N)CC2)s1 ZINC000352705134 227171341 /nfs/dbraw/zinc/17/13/41/227171341.db2.gz KKINAUKOVLCJDW-UHFFFAOYSA-N 2 2 264.398 1.988 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C2CCCCC2)CC1 ZINC000490778081 261207033 /nfs/dbraw/zinc/20/70/33/261207033.db2.gz ABKWYHLYDPMSBO-UHFFFAOYSA-N 2 2 291.439 1.418 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C2CCCCC2)CC1 ZINC000490778081 261207035 /nfs/dbraw/zinc/20/70/35/261207035.db2.gz ABKWYHLYDPMSBO-UHFFFAOYSA-N 2 2 291.439 1.418 20 30 CDEDLP C[NH+]=C(NC[C@@H](c1ccc(F)cc1)[NH+](C)C)NC1CC1 ZINC000264096092 262870135 /nfs/dbraw/zinc/87/01/35/262870135.db2.gz XQGPFGCNXHCTNR-AWEZNQCLSA-N 2 2 278.375 1.756 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000331217349 264165175 /nfs/dbraw/zinc/16/51/75/264165175.db2.gz FZSLFACBUQJPBM-LBPRGKRZSA-N 2 2 298.431 1.230 20 30 CDEDLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000331217349 264165177 /nfs/dbraw/zinc/16/51/77/264165177.db2.gz FZSLFACBUQJPBM-LBPRGKRZSA-N 2 2 298.431 1.230 20 30 CDEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843286 267274672 /nfs/dbraw/zinc/27/46/72/267274672.db2.gz CKHLFPDIXQYQSC-CJNGLKHVSA-N 2 2 292.427 1.068 20 30 CDEDLP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843286 267274676 /nfs/dbraw/zinc/27/46/76/267274676.db2.gz CKHLFPDIXQYQSC-CJNGLKHVSA-N 2 2 292.427 1.068 20 30 CDEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843286 267274678 /nfs/dbraw/zinc/27/46/78/267274678.db2.gz CKHLFPDIXQYQSC-CJNGLKHVSA-N 2 2 292.427 1.068 20 30 CDEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843286 267274682 /nfs/dbraw/zinc/27/46/82/267274682.db2.gz CKHLFPDIXQYQSC-CJNGLKHVSA-N 2 2 292.427 1.068 20 30 CDEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@H](C)COC)c1ccco1 ZINC000264078259 328157284 /nfs/dbraw/zinc/15/72/84/328157284.db2.gz GLWUCAOYTHQKLG-CHWSQXEVSA-N 2 2 296.415 1.602 20 30 CDEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@@H](C)COC)c1ccco1 ZINC000264078264 328157289 /nfs/dbraw/zinc/15/72/89/328157289.db2.gz GLWUCAOYTHQKLG-QWHCGFSZSA-N 2 2 296.415 1.602 20 30 CDEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])N1CCC(C)CC1 ZINC000269959976 328191215 /nfs/dbraw/zinc/19/12/15/328191215.db2.gz LNRQAPLAINVZCZ-UHFFFAOYSA-N 2 2 260.385 1.979 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2cccnc2)cc1 ZINC000278200074 328224706 /nfs/dbraw/zinc/22/47/06/328224706.db2.gz IUJFMTJPXNCMDD-UHFFFAOYSA-N 2 2 284.363 1.980 20 30 CDEDLP CC1CCN(C(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171146161 329074701 /nfs/dbraw/zinc/07/47/01/329074701.db2.gz QCYSCKVRSYJTPW-UHFFFAOYSA-N 2 2 282.432 1.144 20 30 CDEDLP CC1CCN(C(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171146161 329074703 /nfs/dbraw/zinc/07/47/03/329074703.db2.gz QCYSCKVRSYJTPW-UHFFFAOYSA-N 2 2 282.432 1.144 20 30 CDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC[C@@H](C)C1 ZINC000262786392 330031289 /nfs/dbraw/zinc/03/12/89/330031289.db2.gz MQSVBYUKDLCUBZ-GFCCVEGCSA-N 2 2 292.431 1.293 20 30 CDEDLP C#CCNC(=O)CC[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000491819762 332369606 /nfs/dbraw/zinc/36/96/06/332369606.db2.gz VSCWKBNQGGMATR-UHFFFAOYSA-N 2 2 284.363 1.074 20 30 CDEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@H](O)C[N@@H+](C)CC ZINC000521757574 333186976 /nfs/dbraw/zinc/18/69/76/333186976.db2.gz SCZWSKSWCKBXJL-MRXNPFEDSA-N 2 2 292.423 1.996 20 30 CDEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@H](O)C[N@H+](C)CC ZINC000521757574 333186978 /nfs/dbraw/zinc/18/69/78/333186978.db2.gz SCZWSKSWCKBXJL-MRXNPFEDSA-N 2 2 292.423 1.996 20 30 CDEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)C[NH+](C)CC ZINC000521757574 333186980 /nfs/dbraw/zinc/18/69/80/333186980.db2.gz SCZWSKSWCKBXJL-MRXNPFEDSA-N 2 2 292.423 1.996 20 30 CDEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)C[NH+](C)CC ZINC000521757574 333186982 /nfs/dbraw/zinc/18/69/82/333186982.db2.gz SCZWSKSWCKBXJL-MRXNPFEDSA-N 2 2 292.423 1.996 20 30 CDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245443208 334193768 /nfs/dbraw/zinc/19/37/68/334193768.db2.gz WYFOESYYPKLPLJ-CABCVRRESA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245443208 334193769 /nfs/dbraw/zinc/19/37/69/334193769.db2.gz WYFOESYYPKLPLJ-CABCVRRESA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245443208 334193770 /nfs/dbraw/zinc/19/37/70/334193770.db2.gz WYFOESYYPKLPLJ-CABCVRRESA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245443208 334193771 /nfs/dbraw/zinc/19/37/71/334193771.db2.gz WYFOESYYPKLPLJ-CABCVRRESA-N 2 2 294.443 1.411 20 30 CDEDLP C=CCCC[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001755611273 1186011881 /nfs/dbraw/zinc/01/18/81/1186011881.db2.gz NZLWVBFFZMHWAL-GFCCVEGCSA-N 2 2 264.373 1.355 20 30 CDEDLP CO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000161009653 523996775 /nfs/dbraw/zinc/99/67/75/523996775.db2.gz KAGDMFFNMZJXBX-GJZGRUSLSA-N 2 2 259.353 1.496 20 30 CDEDLP CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000161009653 523996779 /nfs/dbraw/zinc/99/67/79/523996779.db2.gz KAGDMFFNMZJXBX-GJZGRUSLSA-N 2 2 259.353 1.496 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000757575655 577043190 /nfs/dbraw/zinc/04/31/90/577043190.db2.gz JWIYXVQPJMFAMI-SJORKVTESA-N 2 2 297.402 1.387 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000757575655 577043192 /nfs/dbraw/zinc/04/31/92/577043192.db2.gz JWIYXVQPJMFAMI-SJORKVTESA-N 2 2 297.402 1.387 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000757575655 577043194 /nfs/dbraw/zinc/04/31/94/577043194.db2.gz JWIYXVQPJMFAMI-SJORKVTESA-N 2 2 297.402 1.387 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000757575655 577043196 /nfs/dbraw/zinc/04/31/96/577043196.db2.gz JWIYXVQPJMFAMI-SJORKVTESA-N 2 2 297.402 1.387 20 30 CDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000968670913 612966744 /nfs/dbraw/zinc/96/67/44/612966744.db2.gz RPWKJMKZYNEDPE-CQSZACIVSA-N 2 2 282.347 1.080 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC(=C)C)CC2)CC1 ZINC000957768139 613129018 /nfs/dbraw/zinc/12/90/18/613129018.db2.gz TXUCBNLPYYVDPN-UHFFFAOYSA-N 2 2 289.423 1.052 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947757576 613265931 /nfs/dbraw/zinc/26/59/31/613265931.db2.gz CAKBEGBNGTWBJV-UONOGXRCSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947757576 613265932 /nfs/dbraw/zinc/26/59/32/613265932.db2.gz CAKBEGBNGTWBJV-UONOGXRCSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000951196070 613318971 /nfs/dbraw/zinc/31/89/71/613318971.db2.gz OWFOFTBFLXHDKX-MRXNPFEDSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000951196070 613318973 /nfs/dbraw/zinc/31/89/73/613318973.db2.gz OWFOFTBFLXHDKX-MRXNPFEDSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000970576533 613348383 /nfs/dbraw/zinc/34/83/83/613348383.db2.gz ADDZIDUQFNIOLV-GFCCVEGCSA-N 2 2 262.357 1.027 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000951199376 613707366 /nfs/dbraw/zinc/70/73/66/613707366.db2.gz WCSUCFPEZOIOCN-UHFFFAOYSA-N 2 2 265.401 1.049 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)COCCOC)CC1 ZINC000892881462 617857866 /nfs/dbraw/zinc/85/78/66/617857866.db2.gz WXUWBRAUVLPHQD-ZDUSSCGKSA-N 2 2 256.390 1.278 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(/C=C/C(=O)OC)o1 ZINC000894863775 619107279 /nfs/dbraw/zinc/10/72/79/619107279.db2.gz RRBHATWXANWVSZ-CMDGGOBGSA-N 2 2 290.363 1.511 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(/C=C/C(=O)OC)o1 ZINC000894863775 619107280 /nfs/dbraw/zinc/10/72/80/619107280.db2.gz RRBHATWXANWVSZ-CMDGGOBGSA-N 2 2 290.363 1.511 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000894863639 619107350 /nfs/dbraw/zinc/10/73/50/619107350.db2.gz PBZBLFFGQMEDEV-UHFFFAOYSA-N 2 2 291.395 1.545 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000894863639 619107351 /nfs/dbraw/zinc/10/73/51/619107351.db2.gz PBZBLFFGQMEDEV-UHFFFAOYSA-N 2 2 291.395 1.545 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000896208822 620027974 /nfs/dbraw/zinc/02/79/74/620027974.db2.gz OOUJTEUZOGTINJ-UHFFFAOYSA-N 2 2 290.411 1.693 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477739 1162631982 /nfs/dbraw/zinc/63/19/82/1162631982.db2.gz JTFPBSOBRVTJOT-CYBMUJFWSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484128 1162637013 /nfs/dbraw/zinc/63/70/13/1162637013.db2.gz FTHCNNPHBZPMHB-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP C[C@H](Nc1cc(C2(C#N)CC2)cc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170567010 1162940163 /nfs/dbraw/zinc/94/01/63/1162940163.db2.gz BRFYYBUIFSHOCZ-AAEUAGOBSA-N 2 2 272.352 1.426 20 30 CDEDLP C=CC[NH2+][C@@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001752908599 1184959734 /nfs/dbraw/zinc/95/97/34/1184959734.db2.gz RUMQGKBOQMBFNB-ZDUSSCGKSA-N 2 2 286.379 1.466 20 30 CDEDLP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001753205471 1185116202 /nfs/dbraw/zinc/11/62/02/1185116202.db2.gz KXBKTCLWOSZCQG-AWEZNQCLSA-N 2 2 290.411 1.460 20 30 CDEDLP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001754618163 1185686015 /nfs/dbraw/zinc/68/60/15/1185686015.db2.gz WQNKHBGDTVDWIO-AWEZNQCLSA-N 2 2 276.384 1.499 20 30 CDEDLP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001754805517 1185736266 /nfs/dbraw/zinc/73/62/66/1185736266.db2.gz QVBYIUHAAJWQJV-TZMCWYRMSA-N 2 2 288.395 1.111 20 30 CDEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001755391928 1185939457 /nfs/dbraw/zinc/93/94/57/1185939457.db2.gz MCMANFPOQSPKNI-CQSZACIVSA-N 2 2 288.395 1.123 20 30 CDEDLP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001755479311 1185963343 /nfs/dbraw/zinc/96/33/43/1185963343.db2.gz ISXZIAUFGIVUOY-MGPQQGTHSA-N 2 2 276.384 1.505 20 30 CDEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001755846174 1186088778 /nfs/dbraw/zinc/08/87/78/1186088778.db2.gz OVJPAYGTQHXPSJ-GFCCVEGCSA-N 2 2 290.411 1.663 20 30 CDEDLP C=CCCC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001755865429 1186094493 /nfs/dbraw/zinc/09/44/93/1186094493.db2.gz DEQCMZHUTDXLJD-UHFFFAOYSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046430368 705472255 /nfs/dbraw/zinc/47/22/55/705472255.db2.gz ALANOJWGJWATPM-CJNGLKHVSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046430368 705472256 /nfs/dbraw/zinc/47/22/56/705472256.db2.gz ALANOJWGJWATPM-CJNGLKHVSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000987606408 705594667 /nfs/dbraw/zinc/59/46/67/705594667.db2.gz WKCONMYKMNJODT-OLZOCXBDSA-N 2 2 262.357 1.038 20 30 CDEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001030544785 705645606 /nfs/dbraw/zinc/64/56/06/705645606.db2.gz XEUKVALSKYIYJO-ZDUSSCGKSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000986628108 705669738 /nfs/dbraw/zinc/66/97/38/705669738.db2.gz IXMODDJVFKEALA-CHWSQXEVSA-N 2 2 296.802 1.605 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1sccc1OC ZINC000883131158 705699222 /nfs/dbraw/zinc/69/92/22/705699222.db2.gz KIVPJPHKHFKIJQ-UHFFFAOYSA-N 2 2 252.383 1.801 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1sccc1OC ZINC000883131158 705699239 /nfs/dbraw/zinc/69/92/39/705699239.db2.gz KIVPJPHKHFKIJQ-UHFFFAOYSA-N 2 2 252.383 1.801 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000989727465 706021511 /nfs/dbraw/zinc/02/15/11/706021511.db2.gz SQVITJFKWQAIOD-DGCLKSJQSA-N 2 2 276.384 1.416 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001072122095 709665800 /nfs/dbraw/zinc/66/58/00/709665800.db2.gz FQSHZACSCUYJRI-KBPBESRZSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528065 709809609 /nfs/dbraw/zinc/80/96/09/709809609.db2.gz JEHAJKBLWUZTKS-AWEZNQCLSA-N 2 2 299.846 1.805 20 30 CDEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528065 709809610 /nfs/dbraw/zinc/80/96/10/709809610.db2.gz JEHAJKBLWUZTKS-AWEZNQCLSA-N 2 2 299.846 1.805 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033621564 709829872 /nfs/dbraw/zinc/82/98/72/709829872.db2.gz WZFHAEQCQJJXDJ-CYBMUJFWSA-N 2 2 276.384 1.369 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008584166 710143442 /nfs/dbraw/zinc/14/34/42/710143442.db2.gz UMBWPCQIQMKHGG-BFHYXJOUSA-N 2 2 288.395 1.290 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008584166 710143453 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C=CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830151 710505027 /nfs/dbraw/zinc/50/50/27/710505027.db2.gz QJBUTPQHIJLXHQ-GXTWGEPZSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830151 710505032 /nfs/dbraw/zinc/50/50/32/710505032.db2.gz QJBUTPQHIJLXHQ-GXTWGEPZSA-N 2 2 274.368 1.061 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453147 710520987 /nfs/dbraw/zinc/52/09/87/710520987.db2.gz SZHMTAOPTDHEAT-ZDUSSCGKSA-N 2 2 262.357 1.061 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453147 710520988 /nfs/dbraw/zinc/52/09/88/710520988.db2.gz SZHMTAOPTDHEAT-ZDUSSCGKSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC ZINC001037937168 710673270 /nfs/dbraw/zinc/67/32/70/710673270.db2.gz YIVHOGGRNKMGGO-TZMCWYRMSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135137576 1164131148 /nfs/dbraw/zinc/13/11/48/1164131148.db2.gz RBSOSXXIQOLMMD-KGLIPLIRSA-N 2 2 278.400 1.722 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000989179392 711435197 /nfs/dbraw/zinc/43/51/97/711435197.db2.gz FODQPZZOAGHAQT-OLZOCXBDSA-N 2 2 282.347 1.160 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001054952276 711459847 /nfs/dbraw/zinc/45/98/47/711459847.db2.gz ROSVPFYOJXUDBO-WCQYABFASA-N 2 2 296.802 1.462 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001019061231 711513710 /nfs/dbraw/zinc/51/37/10/711513710.db2.gz VRHGKYREEQHCFY-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)CC1 ZINC000837411124 711518702 /nfs/dbraw/zinc/51/87/02/711518702.db2.gz CLTFQKJSCZYTNN-CQSZACIVSA-N 2 2 291.439 1.321 20 30 CDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)CC1 ZINC000837411124 711518705 /nfs/dbraw/zinc/51/87/05/711518705.db2.gz CLTFQKJSCZYTNN-CQSZACIVSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001074718317 711518733 /nfs/dbraw/zinc/51/87/33/711518733.db2.gz IPHMTCKYRVSQFE-YDHLFZDLSA-N 2 2 288.395 1.211 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801960 711646118 /nfs/dbraw/zinc/64/61/18/711646118.db2.gz VGFGOSVTTCJAJG-AWEZNQCLSA-N 2 2 282.347 1.162 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801960 711646119 /nfs/dbraw/zinc/64/61/19/711646119.db2.gz VGFGOSVTTCJAJG-AWEZNQCLSA-N 2 2 282.347 1.162 20 30 CDEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778189639 711685641 /nfs/dbraw/zinc/68/56/41/711685641.db2.gz RZRJIZHVYIAQDM-OAHLLOKOSA-N 2 2 281.359 2.000 20 30 CDEDLP C[NH+]1CCN(N=C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000779753550 711706219 /nfs/dbraw/zinc/70/62/19/711706219.db2.gz QUFJPYHQBKSOCQ-UHFFFAOYSA-N 2 2 292.349 1.638 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033266456 711710772 /nfs/dbraw/zinc/71/07/72/711710772.db2.gz PCYZBTYBRBNKIF-CYBMUJFWSA-N 2 2 296.802 1.477 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033266456 711710773 /nfs/dbraw/zinc/71/07/73/711710773.db2.gz PCYZBTYBRBNKIF-CYBMUJFWSA-N 2 2 296.802 1.477 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992859301 711735975 /nfs/dbraw/zinc/73/59/75/711735975.db2.gz MXGGOENFOLWQNX-HZSPNIEDSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC000986356631 711762451 /nfs/dbraw/zinc/76/24/51/711762451.db2.gz SQGHOSZDPWVDHZ-DGCLKSJQSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC000986356631 711762452 /nfs/dbraw/zinc/76/24/52/711762452.db2.gz SQGHOSZDPWVDHZ-DGCLKSJQSA-N 2 2 262.357 1.107 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028633091 711792579 /nfs/dbraw/zinc/79/25/79/711792579.db2.gz WPJYGZWECNZSNR-ZDUSSCGKSA-N 2 2 296.374 1.638 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028633091 711792581 /nfs/dbraw/zinc/79/25/81/711792581.db2.gz WPJYGZWECNZSNR-ZDUSSCGKSA-N 2 2 296.374 1.638 20 30 CDEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205724954 1164404868 /nfs/dbraw/zinc/40/48/68/1164404868.db2.gz BIVNZFBENMVJDJ-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205724954 1164404873 /nfs/dbraw/zinc/40/48/73/1164404873.db2.gz BIVNZFBENMVJDJ-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266355246 894533431 /nfs/dbraw/zinc/53/34/31/894533431.db2.gz DOAIQPFEGRDFAJ-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266355246 894533433 /nfs/dbraw/zinc/53/34/33/894533433.db2.gz DOAIQPFEGRDFAJ-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498780 913976621 /nfs/dbraw/zinc/97/66/21/913976621.db2.gz PFUVEIFELRAEKS-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP Cc1cc(NC(=[NH2+])SCC[NH3+])cc([N+](=O)[O-])c1C#N ZINC001167915655 902245801 /nfs/dbraw/zinc/24/58/01/902245801.db2.gz JKPWYTQRQUDRII-UHFFFAOYSA-N 2 2 279.325 1.813 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875179 921690664 /nfs/dbraw/zinc/69/06/64/921690664.db2.gz VZCAASUBIOWUKY-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875179 921690666 /nfs/dbraw/zinc/69/06/66/921690666.db2.gz VZCAASUBIOWUKY-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(C[NH3+])CC2)C[C@H]1C#N ZINC001172978939 912110594 /nfs/dbraw/zinc/11/05/94/912110594.db2.gz OHTNSUBBEQUASZ-RYUDHWBXSA-N 2 2 294.399 1.359 20 30 CDEDLP C=C(C)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180470833 916404109 /nfs/dbraw/zinc/40/41/09/916404109.db2.gz WTRKVLPICHNXSV-UHFFFAOYSA-N 2 2 278.400 1.725 20 30 CDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203052347 936731095 /nfs/dbraw/zinc/73/10/95/936731095.db2.gz NHDCQWVBQKYLKK-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778469 923236629 /nfs/dbraw/zinc/23/66/29/923236629.db2.gz NLWQPNGKUYWJKM-HIFRSBDPSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778469 923236641 /nfs/dbraw/zinc/23/66/41/923236641.db2.gz NLWQPNGKUYWJKM-HIFRSBDPSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778469 923236659 /nfs/dbraw/zinc/23/66/59/923236659.db2.gz NLWQPNGKUYWJKM-HIFRSBDPSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778469 923236671 /nfs/dbraw/zinc/23/66/71/923236671.db2.gz NLWQPNGKUYWJKM-HIFRSBDPSA-N 2 2 290.411 1.697 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100746496 936932975 /nfs/dbraw/zinc/93/29/75/936932975.db2.gz PZYBTHKSNBGDIZ-PNESKVBLSA-N 2 2 276.384 1.259 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100746496 936932978 /nfs/dbraw/zinc/93/29/78/936932978.db2.gz PZYBTHKSNBGDIZ-PNESKVBLSA-N 2 2 276.384 1.259 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855311 926459008 /nfs/dbraw/zinc/45/90/08/926459008.db2.gz VGURFLSTXDFSKW-HOTGVXAUSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855311 926459010 /nfs/dbraw/zinc/45/90/10/926459010.db2.gz VGURFLSTXDFSKW-HOTGVXAUSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855311 926459014 /nfs/dbraw/zinc/45/90/14/926459014.db2.gz VGURFLSTXDFSKW-HOTGVXAUSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855311 926459017 /nfs/dbraw/zinc/45/90/17/926459017.db2.gz VGURFLSTXDFSKW-HOTGVXAUSA-N 2 2 291.439 1.415 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103473651 937143687 /nfs/dbraw/zinc/14/36/87/937143687.db2.gz LEAAGDNRRUSWJH-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103473651 937143689 /nfs/dbraw/zinc/14/36/89/937143689.db2.gz LEAAGDNRRUSWJH-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001112808989 929447794 /nfs/dbraw/zinc/44/77/94/929447794.db2.gz VWZRPOGTAOKGOX-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134392895 929724265 /nfs/dbraw/zinc/72/42/65/929724265.db2.gz ALGBEONIFLKHDG-LLVKDONJSA-N 2 2 250.346 1.013 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754618 930389893 /nfs/dbraw/zinc/38/98/93/930389893.db2.gz FGQNQXRSNYCBPN-NSHDSACASA-N 2 2 250.346 1.013 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135775285 930405590 /nfs/dbraw/zinc/40/55/90/930405590.db2.gz XBXNAEXBAPHDRH-MNOVXSKESA-N 2 2 284.791 1.578 20 30 CDEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136055053 930626670 /nfs/dbraw/zinc/62/66/70/930626670.db2.gz MJSLZFSYTJKAIW-KBPBESRZSA-N 2 2 292.427 1.802 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095533954 932699466 /nfs/dbraw/zinc/69/94/66/932699466.db2.gz VCBZDVYQGATLON-QPSCCSFWSA-N 2 2 298.390 1.115 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095533954 932699471 /nfs/dbraw/zinc/69/94/71/932699471.db2.gz VCBZDVYQGATLON-QPSCCSFWSA-N 2 2 298.390 1.115 20 30 CDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3ccc(CC#N)cc3)C[C@H]21 ZINC000399217603 936208782 /nfs/dbraw/zinc/20/87/82/936208782.db2.gz JGRYFQXUCPFTMJ-ZSHCYNCHSA-N 2 2 255.365 1.744 20 30 CDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)C[C@H]21 ZINC000399217603 936208784 /nfs/dbraw/zinc/20/87/84/936208784.db2.gz JGRYFQXUCPFTMJ-ZSHCYNCHSA-N 2 2 255.365 1.744 20 30 CDEDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)c(OC)c3)C[C@@H]2C1 ZINC001238417230 945172693 /nfs/dbraw/zinc/17/26/93/945172693.db2.gz ZNRLBXVLCULIPZ-IYBDPMFKSA-N 2 2 285.391 1.950 20 30 CDEDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)c(OC)c3)C[C@@H]2C1 ZINC001238417230 945172698 /nfs/dbraw/zinc/17/26/98/945172698.db2.gz ZNRLBXVLCULIPZ-IYBDPMFKSA-N 2 2 285.391 1.950 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)c(OC)c3)C[C@@H]2C1 ZINC001238417230 945172704 /nfs/dbraw/zinc/17/27/04/945172704.db2.gz ZNRLBXVLCULIPZ-IYBDPMFKSA-N 2 2 285.391 1.950 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C#N)c(OC)c3)C[C@@H]2C1 ZINC001238417230 945172709 /nfs/dbraw/zinc/17/27/09/945172709.db2.gz ZNRLBXVLCULIPZ-IYBDPMFKSA-N 2 2 285.391 1.950 20 30 CDEDLP C=C(C)C(=O)OCCNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001157304428 938478265 /nfs/dbraw/zinc/47/82/65/938478265.db2.gz CAWJVYKURTZZDI-UHFFFAOYSA-N 2 2 290.367 1.022 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160325591 938780532 /nfs/dbraw/zinc/78/05/32/938780532.db2.gz AUAOSZSESNRZNL-MGPQQGTHSA-N 2 2 290.411 1.964 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160325591 938780533 /nfs/dbraw/zinc/78/05/33/938780533.db2.gz AUAOSZSESNRZNL-MGPQQGTHSA-N 2 2 290.411 1.964 20 30 CDEDLP C=CC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160828512 938830034 /nfs/dbraw/zinc/83/00/34/938830034.db2.gz PUPVKVQFXRMSKJ-UHFFFAOYSA-N 2 2 288.395 1.598 20 30 CDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160828512 938830038 /nfs/dbraw/zinc/83/00/38/938830038.db2.gz PUPVKVQFXRMSKJ-UHFFFAOYSA-N 2 2 288.395 1.598 20 30 CDEDLP C[NH+](C)C1(CNc2ccc(CC#N)cn2)CC[NH+](C)CC1 ZINC001164207376 939429845 /nfs/dbraw/zinc/42/98/45/939429845.db2.gz WITGJTJBUKANAQ-UHFFFAOYSA-N 2 2 287.411 1.586 20 30 CDEDLP C=CCC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204068490 939728031 /nfs/dbraw/zinc/72/80/31/939728031.db2.gz GAWDUIHLJLEHJK-UHFFFAOYSA-N 2 2 290.411 1.820 20 30 CDEDLP CC[NH+](CC)C1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000310886660 941312586 /nfs/dbraw/zinc/31/25/86/941312586.db2.gz WOBOHKKIEOIWOH-CYBMUJFWSA-N 2 2 253.390 1.721 20 30 CDEDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3CC#N)C[C@@H]2C1 ZINC001235516421 944184019 /nfs/dbraw/zinc/18/40/19/944184019.db2.gz HAAGULDRGWHHHC-ZWKOTPCHSA-N 2 2 299.418 1.905 20 30 CDEDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3CC#N)C[C@@H]2C1 ZINC001235516421 944184022 /nfs/dbraw/zinc/18/40/22/944184022.db2.gz HAAGULDRGWHHHC-ZWKOTPCHSA-N 2 2 299.418 1.905 20 30 CDEDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3CC#N)C[C@@H]2C1 ZINC001235516421 944184026 /nfs/dbraw/zinc/18/40/26/944184026.db2.gz HAAGULDRGWHHHC-ZWKOTPCHSA-N 2 2 299.418 1.905 20 30 CDEDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3CC#N)C[C@@H]2C1 ZINC001235516421 944184027 /nfs/dbraw/zinc/18/40/27/944184027.db2.gz HAAGULDRGWHHHC-ZWKOTPCHSA-N 2 2 299.418 1.905 20 30 CDEDLP N#Cc1ccc2c(C[N@H+]3CCC[C@@H]3C[NH3+])c[nH]c2c1 ZINC001236247721 944437579 /nfs/dbraw/zinc/43/75/79/944437579.db2.gz XRVICAGKUYYLFP-CYBMUJFWSA-N 2 2 254.337 1.963 20 30 CDEDLP N#Cc1ccc2c(C[N@@H+]3CCC[C@@H]3C[NH3+])c[nH]c2c1 ZINC001236247721 944437580 /nfs/dbraw/zinc/43/75/80/944437580.db2.gz XRVICAGKUYYLFP-CYBMUJFWSA-N 2 2 254.337 1.963 20 30 CDEDLP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001262576453 946728571 /nfs/dbraw/zinc/72/85/71/946728571.db2.gz PWYJXPFQGYEMIV-OLZOCXBDSA-N 2 2 255.406 1.463 20 30 CDEDLP CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246068164 947924085 /nfs/dbraw/zinc/92/40/85/947924085.db2.gz ZEFQGYBWJNDUPE-HUUCEWRRSA-N 2 2 284.444 1.757 20 30 CDEDLP CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246068164 947924091 /nfs/dbraw/zinc/92/40/91/947924091.db2.gz ZEFQGYBWJNDUPE-HUUCEWRRSA-N 2 2 284.444 1.757 20 30 CDEDLP N#CC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCCCC1 ZINC001246191321 948020684 /nfs/dbraw/zinc/02/06/84/948020684.db2.gz QNPQLKPDNRBXLW-CYBMUJFWSA-N 2 2 262.401 1.287 20 30 CDEDLP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC001353316890 967890530 /nfs/dbraw/zinc/89/05/30/967890530.db2.gz REZLXRLBPZMQJF-MRXNPFEDSA-N 2 2 273.380 1.192 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001406117444 976036734 /nfs/dbraw/zinc/03/67/34/976036734.db2.gz WXOQVHXXCWTVNM-GFCCVEGCSA-N 2 2 275.824 1.469 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001406117444 976036749 /nfs/dbraw/zinc/03/67/49/976036749.db2.gz WXOQVHXXCWTVNM-GFCCVEGCSA-N 2 2 275.824 1.469 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001382346270 977259172 /nfs/dbraw/zinc/25/91/72/977259172.db2.gz JDHFFTFVBAAYEY-NWDGAFQWSA-N 2 2 296.802 1.579 20 30 CDEDLP C#CCOc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC001574735295 1170999810 /nfs/dbraw/zinc/99/98/10/1170999810.db2.gz DNIKHICHVNFURQ-HIFRSBDPSA-N 2 2 258.365 1.786 20 30 CDEDLP C[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)[C@H]1C[NH3+] ZINC001576708316 1171495597 /nfs/dbraw/zinc/49/55/97/1171495597.db2.gz CHIQTANFBUKYEN-BBRMVZONSA-N 2 2 273.380 1.996 20 30 CDEDLP C[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)[C@H]1C[NH3+] ZINC001576708316 1171495601 /nfs/dbraw/zinc/49/56/01/1171495601.db2.gz CHIQTANFBUKYEN-BBRMVZONSA-N 2 2 273.380 1.996 20 30 CDEDLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(C#N)cc2F)n1C ZINC000591257361 342623090 /nfs/dbraw/zinc/62/30/90/342623090.db2.gz AKTKGJRTAYPBDA-UHFFFAOYSA-N 2 2 287.342 1.787 20 30 CDEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000591582523 342638152 /nfs/dbraw/zinc/63/81/52/342638152.db2.gz ZLBLSFSVAXJNFO-ZBFHGGJFSA-N 2 2 271.364 1.514 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000597248573 343498275 /nfs/dbraw/zinc/49/82/75/343498275.db2.gz ASYQOYBOKMEYDL-UHFFFAOYSA-N 2 2 275.400 1.872 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000598715249 343880950 /nfs/dbraw/zinc/88/09/50/343880950.db2.gz NNEJGAMEFUCXOF-CQSZACIVSA-N 2 2 290.411 1.652 20 30 CDEDLP COc1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccc1C#N ZINC000598717532 343882183 /nfs/dbraw/zinc/88/21/83/343882183.db2.gz GQNIDRPAVLNHDV-ZBFHGGJFSA-N 2 2 271.364 1.880 20 30 CDEDLP COc1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccc1C#N ZINC000598717532 343882184 /nfs/dbraw/zinc/88/21/84/343882184.db2.gz GQNIDRPAVLNHDV-ZBFHGGJFSA-N 2 2 271.364 1.880 20 30 CDEDLP C[NH+]1CCC([NH+]2CCC(Nc3cccc(C#N)n3)CC2)CC1 ZINC000265578192 362452632 /nfs/dbraw/zinc/45/26/32/362452632.db2.gz VZPOQRNHJAZHOD-UHFFFAOYSA-N 2 2 299.422 1.924 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846795 344624629 /nfs/dbraw/zinc/62/46/29/344624629.db2.gz HDNOMJSWRSLLFH-CQSZACIVSA-N 2 2 275.352 1.321 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846795 344624631 /nfs/dbraw/zinc/62/46/31/344624631.db2.gz HDNOMJSWRSLLFH-CQSZACIVSA-N 2 2 275.352 1.321 20 30 CDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449399134 362695107 /nfs/dbraw/zinc/69/51/07/362695107.db2.gz XTGQEAKGXHMXGJ-KFWWJZLASA-N 2 2 265.401 1.505 20 30 CDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449399134 362695112 /nfs/dbraw/zinc/69/51/12/362695112.db2.gz XTGQEAKGXHMXGJ-KFWWJZLASA-N 2 2 265.401 1.505 20 30 CDEDLP COCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000264083892 362962052 /nfs/dbraw/zinc/96/20/52/362962052.db2.gz IGJYKIIBEAHFTA-UHFFFAOYSA-N 2 2 291.330 1.062 20 30 CDEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCOCC1)c1cccc(F)c1 ZINC000264125695 362973503 /nfs/dbraw/zinc/97/35/03/362973503.db2.gz SFTLITDUVTUVDZ-CQSZACIVSA-N 2 2 294.374 1.075 20 30 CDEDLP C#CCC[NH+]1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492897596 366185116 /nfs/dbraw/zinc/18/51/16/366185116.db2.gz KFWGJIMRGPMFDP-PLNGDYQASA-N 2 2 272.352 1.027 20 30 CDEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000344275439 356980069 /nfs/dbraw/zinc/98/00/69/356980069.db2.gz OLPKCVFOAJIFBV-ZDUSSCGKSA-N 2 2 277.368 1.334 20 30 CDEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000179267328 366525706 /nfs/dbraw/zinc/52/57/06/366525706.db2.gz YCXMWKLSVGLSTM-MRXNPFEDSA-N 2 2 299.422 1.560 20 30 CDEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000179267328 366525710 /nfs/dbraw/zinc/52/57/10/366525710.db2.gz YCXMWKLSVGLSTM-MRXNPFEDSA-N 2 2 299.422 1.560 20 30 CDEDLP N#Cc1c(F)cccc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000179312781 366527696 /nfs/dbraw/zinc/52/76/96/366527696.db2.gz NNDAEPAFNJVNMB-UHFFFAOYSA-N 2 2 299.353 1.716 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000337160949 360015050 /nfs/dbraw/zinc/01/50/50/360015050.db2.gz UCXWTIGPHBGHPE-GJZGRUSLSA-N 2 2 287.363 1.322 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000337160949 360015051 /nfs/dbraw/zinc/01/50/51/360015051.db2.gz UCXWTIGPHBGHPE-GJZGRUSLSA-N 2 2 287.363 1.322 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)C2CC[NH+](CCC)CC2)C1=O ZINC000337187600 360031792 /nfs/dbraw/zinc/03/17/92/360031792.db2.gz PUMKXDFPQRLQNK-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)C2CC[NH+](CCC)CC2)C1=O ZINC000337187600 360031797 /nfs/dbraw/zinc/03/17/97/360031797.db2.gz PUMKXDFPQRLQNK-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000583572846 361029969 /nfs/dbraw/zinc/02/99/69/361029969.db2.gz CSDOZXMOYCACIN-YCPHGPKFSA-N 2 2 277.412 1.864 20 30 CDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000583572846 361029974 /nfs/dbraw/zinc/02/99/74/361029974.db2.gz CSDOZXMOYCACIN-YCPHGPKFSA-N 2 2 277.412 1.864 20 30 CDEDLP CC#CC[NH2+]Cc1cn(Cc2cc(OC)cc(C)[nH+]2)nn1 ZINC000641155199 365124450 /nfs/dbraw/zinc/12/44/50/365124450.db2.gz QSAZIPKPICLIPF-UHFFFAOYSA-N 2 2 285.351 1.151 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173952910 261175190 /nfs/dbraw/zinc/17/51/90/261175190.db2.gz WOKFBJXELPMNOK-CABCVRRESA-N 2 2 294.443 1.553 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173952910 261175191 /nfs/dbraw/zinc/17/51/91/261175191.db2.gz WOKFBJXELPMNOK-CABCVRRESA-N 2 2 294.443 1.553 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173952910 261175193 /nfs/dbraw/zinc/17/51/93/261175193.db2.gz WOKFBJXELPMNOK-CABCVRRESA-N 2 2 294.443 1.553 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173952910 261175195 /nfs/dbraw/zinc/17/51/95/261175195.db2.gz WOKFBJXELPMNOK-CABCVRRESA-N 2 2 294.443 1.553 20 30 CDEDLP CC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000421889529 374338721 /nfs/dbraw/zinc/33/87/21/374338721.db2.gz XJVXTXFIOWNZOF-KRWDZBQOSA-N 2 2 287.407 1.883 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC000328809928 375960351 /nfs/dbraw/zinc/96/03/51/375960351.db2.gz DZSGQNSHUNUOPF-UHFFFAOYSA-N 2 2 276.384 1.960 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152440179 390664533 /nfs/dbraw/zinc/66/45/33/390664533.db2.gz ZLJDFDZXTPQYEJ-OAHLLOKOSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152440179 390664535 /nfs/dbraw/zinc/66/45/35/390664535.db2.gz ZLJDFDZXTPQYEJ-OAHLLOKOSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152440179 390664537 /nfs/dbraw/zinc/66/45/37/390664537.db2.gz ZLJDFDZXTPQYEJ-OAHLLOKOSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152440179 390664539 /nfs/dbraw/zinc/66/45/39/390664539.db2.gz ZLJDFDZXTPQYEJ-OAHLLOKOSA-N 2 2 281.444 1.685 20 30 CDEDLP C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000351335306 391066167 /nfs/dbraw/zinc/06/61/67/391066167.db2.gz XPHPUDLOQVVIRR-KBPBESRZSA-N 2 2 251.374 1.333 20 30 CDEDLP C[C@@H](CCC#N)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000351335306 391066172 /nfs/dbraw/zinc/06/61/72/391066172.db2.gz XPHPUDLOQVVIRR-KBPBESRZSA-N 2 2 251.374 1.333 20 30 CDEDLP C=CCCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000360120959 391640889 /nfs/dbraw/zinc/64/08/89/391640889.db2.gz CJGNPXITGFVROC-UHFFFAOYSA-N 2 2 281.444 1.827 20 30 CDEDLP C=CCCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000360120959 391640893 /nfs/dbraw/zinc/64/08/93/391640893.db2.gz CJGNPXITGFVROC-UHFFFAOYSA-N 2 2 281.444 1.827 20 30 CDEDLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)NC1CC1 ZINC000261701395 391681672 /nfs/dbraw/zinc/68/16/72/391681672.db2.gz CNVASLKJBBGDPJ-UHFFFAOYSA-N 2 2 269.352 1.498 20 30 CDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCS[C@H](CC)C1 ZINC000262007918 391756162 /nfs/dbraw/zinc/75/61/62/391756162.db2.gz UUYGWRWOIIPJIZ-CYBMUJFWSA-N 2 2 295.456 1.676 20 30 CDEDLP C=CCNC(=[NH+]CC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160097258 261204206 /nfs/dbraw/zinc/20/42/06/261204206.db2.gz DCYQTEDUGCKECM-KBPBESRZSA-N 2 2 275.400 1.918 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860372 264334069 /nfs/dbraw/zinc/33/40/69/264334069.db2.gz MXEOYWJUVBRBNI-MRXNPFEDSA-N 2 2 293.455 1.993 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860372 264334070 /nfs/dbraw/zinc/33/40/70/264334070.db2.gz MXEOYWJUVBRBNI-MRXNPFEDSA-N 2 2 293.455 1.993 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860372 264334073 /nfs/dbraw/zinc/33/40/73/264334073.db2.gz MXEOYWJUVBRBNI-MRXNPFEDSA-N 2 2 293.455 1.993 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860372 264334075 /nfs/dbraw/zinc/33/40/75/264334075.db2.gz MXEOYWJUVBRBNI-MRXNPFEDSA-N 2 2 293.455 1.993 20 30 CDEDLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000521063106 267052095 /nfs/dbraw/zinc/05/20/95/267052095.db2.gz JSZJAWYKXGAJBK-HNNXBMFYSA-N 2 2 273.380 1.450 20 30 CDEDLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000521063106 267052098 /nfs/dbraw/zinc/05/20/98/267052098.db2.gz JSZJAWYKXGAJBK-HNNXBMFYSA-N 2 2 273.380 1.450 20 30 CDEDLP COc1cccc([C@@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)c1 ZINC000261778411 327274388 /nfs/dbraw/zinc/27/43/88/327274388.db2.gz PFULLFQDAMFTPB-SMDDNHRTSA-N 2 2 276.384 1.235 20 30 CDEDLP C[N@@H+]1CCC[C@@H]1CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000089614763 330386579 /nfs/dbraw/zinc/38/65/79/330386579.db2.gz NPXULUZYQNEMJI-MRXNPFEDSA-N 2 2 294.443 1.019 20 30 CDEDLP C[N@H+]1CCC[C@@H]1CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000089614763 330386580 /nfs/dbraw/zinc/38/65/80/330386580.db2.gz NPXULUZYQNEMJI-MRXNPFEDSA-N 2 2 294.443 1.019 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000453346921 331120045 /nfs/dbraw/zinc/12/00/45/331120045.db2.gz KKNCMOXZJDQFRU-MYPMTAMASA-N 2 2 250.386 1.792 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000453346921 331120046 /nfs/dbraw/zinc/12/00/46/331120046.db2.gz KKNCMOXZJDQFRU-MYPMTAMASA-N 2 2 250.386 1.792 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001753379375 1185177632 /nfs/dbraw/zinc/17/76/32/1185177632.db2.gz QWNLGVAPNDKFQP-CYBMUJFWSA-N 2 2 271.380 1.043 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001113430994 1162174117 /nfs/dbraw/zinc/17/41/17/1162174117.db2.gz FNMHTIIRLYGYRQ-UHFFFAOYSA-N 2 2 276.384 1.302 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000746192012 576760868 /nfs/dbraw/zinc/76/08/68/576760868.db2.gz UKBDPSQCERJLPD-OAHLLOKOSA-N 2 2 279.428 1.274 20 30 CDEDLP CC[NH+]1CCC(NC(=O)C[N@H+](CCC#N)CC(C)C)CC1 ZINC000755669085 576954446 /nfs/dbraw/zinc/95/44/46/576954446.db2.gz CQGSREQGAQBYNT-UHFFFAOYSA-N 2 2 294.443 1.459 20 30 CDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCC#N)CC(C)C)CC1 ZINC000755669085 576954447 /nfs/dbraw/zinc/95/44/47/576954447.db2.gz CQGSREQGAQBYNT-UHFFFAOYSA-N 2 2 294.443 1.459 20 30 CDEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC1=NN1CC[NH+](C)CC1 ZINC000751516976 577046975 /nfs/dbraw/zinc/04/69/75/577046975.db2.gz OAJMPNZVIIQBQA-HNNXBMFYSA-N 2 2 286.423 1.742 20 30 CDEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NN1CC[NH+](C)CC1 ZINC000751516976 577046977 /nfs/dbraw/zinc/04/69/77/577046977.db2.gz OAJMPNZVIIQBQA-HNNXBMFYSA-N 2 2 286.423 1.742 20 30 CDEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000965589794 613346887 /nfs/dbraw/zinc/34/68/87/613346887.db2.gz PRVFUFBSJKETBF-UHFFFAOYSA-N 2 2 288.395 1.545 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000957325135 613712961 /nfs/dbraw/zinc/71/29/61/613712961.db2.gz HTYGGLBEWFEHQH-LSDHHAIUSA-N 2 2 279.428 1.437 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980192127 613833481 /nfs/dbraw/zinc/83/34/81/613833481.db2.gz FMVUZYVNPJNWGL-MJBXVCDLSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980192127 613833482 /nfs/dbraw/zinc/83/34/82/613833482.db2.gz FMVUZYVNPJNWGL-MJBXVCDLSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000969491847 613866408 /nfs/dbraw/zinc/86/64/08/613866408.db2.gz VPGNOGIYLYGLJC-OAHLLOKOSA-N 2 2 296.374 1.862 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894229336 618738762 /nfs/dbraw/zinc/73/87/62/618738762.db2.gz OYMDIIWURWFFGY-NEPJUHHUSA-N 2 2 288.338 1.281 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000900606706 623286455 /nfs/dbraw/zinc/28/64/55/623286455.db2.gz VBPIIXPWEAIUDK-UHFFFAOYSA-N 2 2 262.357 1.109 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488846 1162638724 /nfs/dbraw/zinc/63/87/24/1162638724.db2.gz YBUYYIKUDFDEMO-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP C[NH+](C)C1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001168304791 1160703884 /nfs/dbraw/zinc/70/38/84/1160703884.db2.gz DMJCWGCVZWPTBO-UHFFFAOYSA-N 2 2 251.374 1.522 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752784236 1184910871 /nfs/dbraw/zinc/91/08/71/1184910871.db2.gz XWYLIDYWNFDWIN-CQSZACIVSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752784236 1184910876 /nfs/dbraw/zinc/91/08/76/1184910876.db2.gz XWYLIDYWNFDWIN-CQSZACIVSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752784236 1184910879 /nfs/dbraw/zinc/91/08/79/1184910879.db2.gz XWYLIDYWNFDWIN-CQSZACIVSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752784236 1184910882 /nfs/dbraw/zinc/91/08/82/1184910882.db2.gz XWYLIDYWNFDWIN-CQSZACIVSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001753653917 1185289060 /nfs/dbraw/zinc/28/90/60/1185289060.db2.gz KRJIPPDIRYONAD-GJZGRUSLSA-N 2 2 297.443 1.110 20 30 CDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001753653917 1185289064 /nfs/dbraw/zinc/28/90/64/1185289064.db2.gz KRJIPPDIRYONAD-GJZGRUSLSA-N 2 2 297.443 1.110 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001754454276 1185624470 /nfs/dbraw/zinc/62/44/70/1185624470.db2.gz DNPLHWHBYOEQSH-GFCCVEGCSA-N 2 2 262.357 1.013 20 30 CDEDLP C#CCC[N@@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755045696 1185797541 /nfs/dbraw/zinc/79/75/41/1185797541.db2.gz FLXGRMBONJPOQF-HNNXBMFYSA-N 2 2 290.411 1.638 20 30 CDEDLP C#CCC[N@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755045696 1185797546 /nfs/dbraw/zinc/79/75/46/1185797546.db2.gz FLXGRMBONJPOQF-HNNXBMFYSA-N 2 2 290.411 1.638 20 30 CDEDLP C#CCOCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000851992987 711914120 /nfs/dbraw/zinc/91/41/20/711914120.db2.gz PVUOXNDQXVMRBA-UHFFFAOYSA-N 2 2 274.364 1.883 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC(=C)C)C2)CC1 ZINC001044334935 711949803 /nfs/dbraw/zinc/94/98/03/711949803.db2.gz BJGRLMKGUYUQEO-UHFFFAOYSA-N 2 2 289.423 1.050 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829439 711967915 /nfs/dbraw/zinc/96/79/15/711967915.db2.gz FSJVSJPYLDDZLF-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829439 711967921 /nfs/dbraw/zinc/96/79/21/711967921.db2.gz FSJVSJPYLDDZLF-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000923557361 712051049 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C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CC ZINC001037847548 712392366 /nfs/dbraw/zinc/39/23/66/712392366.db2.gz AFBTVCWUEPGTBY-UKRRQHHQSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CC ZINC001037847548 712392367 /nfs/dbraw/zinc/39/23/67/712392367.db2.gz AFBTVCWUEPGTBY-UKRRQHHQSA-N 2 2 288.395 1.192 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049868773 712414150 /nfs/dbraw/zinc/41/41/50/712414150.db2.gz XLWMOOWAQATCTI-GJZGRUSLSA-N 2 2 288.395 1.512 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049868773 712414153 /nfs/dbraw/zinc/41/41/53/712414153.db2.gz XLWMOOWAQATCTI-GJZGRUSLSA-N 2 2 288.395 1.512 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001044329532 712435830 /nfs/dbraw/zinc/43/58/30/712435830.db2.gz GUINSRBZENVYIR-ZIAGYGMSSA-N 2 2 279.428 1.578 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001032657996 712468312 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C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038545294 712756308 /nfs/dbraw/zinc/75/63/08/712756308.db2.gz COECJPOQYZEDLM-MRXNPFEDSA-N 2 2 299.418 1.228 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038545294 712756316 /nfs/dbraw/zinc/75/63/16/712756316.db2.gz COECJPOQYZEDLM-MRXNPFEDSA-N 2 2 299.418 1.228 20 30 CDEDLP C=CC[NH+]1CCN(c2cccc(N3CCOCC3)[nH+]2)CC1 ZINC001165031829 721869130 /nfs/dbraw/zinc/86/91/30/721869130.db2.gz BALGJFGLYAYVGX-UHFFFAOYSA-N 2 2 288.395 1.226 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206201236 912592593 /nfs/dbraw/zinc/59/25/93/912592593.db2.gz WLXYJQUQAAYIKK-CHWSQXEVSA-N 2 2 263.316 1.525 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206201236 912592610 /nfs/dbraw/zinc/59/26/10/912592610.db2.gz WLXYJQUQAAYIKK-CHWSQXEVSA-N 2 2 263.316 1.525 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429682 895650316 /nfs/dbraw/zinc/65/03/16/895650316.db2.gz WHVKTFPVNKAEQM-AWEZNQCLSA-N 2 2 278.400 1.896 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989612291 908955503 /nfs/dbraw/zinc/95/55/03/908955503.db2.gz KSZTZGSGSGLFCM-VXGBXAGGSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989735499 908992792 /nfs/dbraw/zinc/99/27/92/908992792.db2.gz BFURRJAVCIMXQS-STQMWFEESA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869809 936403846 /nfs/dbraw/zinc/40/38/46/936403846.db2.gz NEVLGPXFUIXKGC-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869809 936403850 /nfs/dbraw/zinc/40/38/50/936403850.db2.gz NEVLGPXFUIXKGC-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C[NH+]1CCCC1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001183044272 918270349 /nfs/dbraw/zinc/27/03/49/918270349.db2.gz GHFJWOLTTBTBHU-UHFFFAOYSA-N 2 2 288.395 1.699 20 30 CDEDLP C=CC[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000996834097 918470067 /nfs/dbraw/zinc/47/00/67/918470067.db2.gz LMVAPWGEDCZSNT-UHFFFAOYSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710076 919239108 /nfs/dbraw/zinc/23/91/08/919239108.db2.gz PEBADOOKRRHHLX-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185370008 919580943 /nfs/dbraw/zinc/58/09/43/919580943.db2.gz FKTHNLVTSRYRBV-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185790198 919755887 /nfs/dbraw/zinc/75/58/87/919755887.db2.gz YLOCZNLLRIIBQP-UONOGXRCSA-N 2 2 276.384 1.143 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001185969194 919837430 /nfs/dbraw/zinc/83/74/30/919837430.db2.gz UQEAWDGMWXOYLG-UONOGXRCSA-N 2 2 274.368 1.048 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(CC)s1 ZINC000383114248 936616799 /nfs/dbraw/zinc/61/67/99/936616799.db2.gz FWQUCJSFDSJWJY-UHFFFAOYSA-N 2 2 251.399 1.750 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(CC)s1 ZINC000383114248 936616800 /nfs/dbraw/zinc/61/68/00/936616800.db2.gz FWQUCJSFDSJWJY-UHFFFAOYSA-N 2 2 251.399 1.750 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078826773 920475470 /nfs/dbraw/zinc/47/54/70/920475470.db2.gz MYEFSIOJTQVBFF-KBPBESRZSA-N 2 2 288.395 1.476 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014729011 922245258 /nfs/dbraw/zinc/24/52/58/922245258.db2.gz PEYDLQPESJTRSZ-CHWSQXEVSA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014729011 922245274 /nfs/dbraw/zinc/24/52/74/922245274.db2.gz PEYDLQPESJTRSZ-CHWSQXEVSA-N 2 2 274.368 1.137 20 30 CDEDLP N#Cc1cccc(C2([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000775430766 922377868 /nfs/dbraw/zinc/37/78/68/922377868.db2.gz JALHFUSWBTVMCL-INIZCTEOSA-N 2 2 285.391 1.594 20 30 CDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098398881 936750989 /nfs/dbraw/zinc/75/09/89/936750989.db2.gz OOEXYIAVILLOLV-SYQHCUMBSA-N 2 2 297.830 1.412 20 30 CDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001098398881 936750990 /nfs/dbraw/zinc/75/09/90/936750990.db2.gz OOEXYIAVILLOLV-SYQHCUMBSA-N 2 2 297.830 1.412 20 30 CDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098398881 936750992 /nfs/dbraw/zinc/75/09/92/936750992.db2.gz OOEXYIAVILLOLV-SYQHCUMBSA-N 2 2 297.830 1.412 20 30 CDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098398881 936750994 /nfs/dbraw/zinc/75/09/94/936750994.db2.gz OOEXYIAVILLOLV-SYQHCUMBSA-N 2 2 297.830 1.412 20 30 CDEDLP CCCCCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001201787749 926409637 /nfs/dbraw/zinc/40/96/37/926409637.db2.gz KQUWHNSJKFNLSV-UHFFFAOYSA-N 2 2 297.487 1.907 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085986869 926568811 /nfs/dbraw/zinc/56/88/11/926568811.db2.gz OOYIRDLVTRQWCG-HUUCEWRRSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001085986869 926568824 /nfs/dbraw/zinc/56/88/24/926568824.db2.gz OOYIRDLVTRQWCG-HUUCEWRRSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001085986869 926568832 /nfs/dbraw/zinc/56/88/32/926568832.db2.gz OOYIRDLVTRQWCG-HUUCEWRRSA-N 2 2 277.412 1.027 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001170061275 929255190 /nfs/dbraw/zinc/25/51/90/929255190.db2.gz ZKWJHQFVEWKQTI-UHFFFAOYSA-N 2 2 285.351 1.163 20 30 CDEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001112808990 929446740 /nfs/dbraw/zinc/44/67/40/929446740.db2.gz VWZRPOGTAOKGOX-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134745495 929882793 /nfs/dbraw/zinc/88/27/93/929882793.db2.gz WFSIBRUMSAHYHT-OLZOCXBDSA-N 2 2 289.379 1.139 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135130811 930067809 /nfs/dbraw/zinc/06/78/09/930067809.db2.gz AQBWTZYCAVRUOB-CHWSQXEVSA-N 2 2 264.373 1.332 20 30 CDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114497 937419893 /nfs/dbraw/zinc/41/98/93/937419893.db2.gz FSOABXVGBUEFQE-CYBMUJFWSA-N 2 2 278.400 1.745 20 30 CDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114497 937419895 /nfs/dbraw/zinc/41/98/95/937419895.db2.gz FSOABXVGBUEFQE-CYBMUJFWSA-N 2 2 278.400 1.745 20 30 CDEDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817919900 930630785 /nfs/dbraw/zinc/63/07/85/930630785.db2.gz WJGMEOCGASUQJT-SWLSCSKDSA-N 2 2 259.353 1.677 20 30 CDEDLP C=CC[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146459142 932254020 /nfs/dbraw/zinc/25/40/20/932254020.db2.gz YAZUYQZDSYYFEY-UHFFFAOYSA-N 2 2 270.336 1.378 20 30 CDEDLP C=CCCCCC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124958 932561698 /nfs/dbraw/zinc/56/16/98/932561698.db2.gz YONCVOWQWRHIHB-UHFFFAOYSA-N 2 2 278.400 1.713 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001258718605 935035350 /nfs/dbraw/zinc/03/53/50/935035350.db2.gz RSSMDELOLAMHCI-RWMBFGLXSA-N 2 2 283.416 1.877 20 30 CDEDLP CC(C)NC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000303882631 935045683 /nfs/dbraw/zinc/04/56/83/935045683.db2.gz LRMQFHANIZYSCY-UHFFFAOYSA-N 2 2 257.341 1.685 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001014424365 935536356 /nfs/dbraw/zinc/53/63/56/935536356.db2.gz LQHLPRYMAPNHPH-CQSZACIVSA-N 2 2 284.363 1.633 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001014424365 935536357 /nfs/dbraw/zinc/53/63/57/935536357.db2.gz LQHLPRYMAPNHPH-CQSZACIVSA-N 2 2 284.363 1.633 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015914237 935593471 /nfs/dbraw/zinc/59/34/71/935593471.db2.gz UJBJFKBMISDPMZ-AWEZNQCLSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015914237 935593476 /nfs/dbraw/zinc/59/34/76/935593476.db2.gz UJBJFKBMISDPMZ-AWEZNQCLSA-N 2 2 297.362 1.257 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337980 935665249 /nfs/dbraw/zinc/66/52/49/935665249.db2.gz PESKJJDWUZZUKP-OKILXGFUSA-N 2 2 274.368 1.134 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337980 935665250 /nfs/dbraw/zinc/66/52/50/935665250.db2.gz PESKJJDWUZZUKP-OKILXGFUSA-N 2 2 274.368 1.134 20 30 CDEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038645503 935734688 /nfs/dbraw/zinc/73/46/88/935734688.db2.gz MJZAZOQCEPQSAA-AWEZNQCLSA-N 2 2 289.379 1.169 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038645503 935734691 /nfs/dbraw/zinc/73/46/91/935734691.db2.gz MJZAZOQCEPQSAA-AWEZNQCLSA-N 2 2 289.379 1.169 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038922166 935761964 /nfs/dbraw/zinc/76/19/64/935761964.db2.gz NCKDLBDSNVFQTD-CYBMUJFWSA-N 2 2 288.395 1.528 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038922166 935761967 /nfs/dbraw/zinc/76/19/67/935761967.db2.gz NCKDLBDSNVFQTD-CYBMUJFWSA-N 2 2 288.395 1.528 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160990307 938854532 /nfs/dbraw/zinc/85/45/32/938854532.db2.gz HZHKVVCWHLURDU-UHFFFAOYSA-N 2 2 272.352 1.849 20 30 CDEDLP C=CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CCCCC1 ZINC001161248315 938882042 /nfs/dbraw/zinc/88/20/42/938882042.db2.gz XQKFAXHIWFCABP-YPMHNXCESA-N 2 2 251.374 1.023 20 30 CDEDLP C=CC[N@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161705679 938923890 /nfs/dbraw/zinc/92/38/90/938923890.db2.gz WAKJFBRESIXPLA-UHFFFAOYSA-N 2 2 288.395 1.287 20 30 CDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161705679 938923891 /nfs/dbraw/zinc/92/38/91/938923891.db2.gz WAKJFBRESIXPLA-UHFFFAOYSA-N 2 2 288.395 1.287 20 30 CDEDLP Cc1[nH+]c2c(n1-c1nc(Cl)ncc1C#N)CC[NH2+]CC2 ZINC001165352620 939550261 /nfs/dbraw/zinc/55/02/61/939550261.db2.gz YLJVZZWCOAAVGN-UHFFFAOYSA-N 2 2 288.742 1.184 20 30 CDEDLP C=CCC[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165374550 939552949 /nfs/dbraw/zinc/55/29/49/939552949.db2.gz VOOSHXKRPZGYRQ-UHFFFAOYSA-N 2 2 290.411 1.795 20 30 CDEDLP C=CCC[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165374550 939552951 /nfs/dbraw/zinc/55/29/51/939552951.db2.gz VOOSHXKRPZGYRQ-UHFFFAOYSA-N 2 2 290.411 1.795 20 30 CDEDLP N#Cc1c[nH]c2cc[nH+]c(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c12 ZINC001165431150 939564423 /nfs/dbraw/zinc/56/44/23/939564423.db2.gz CZKHHXWQULBXBR-JQWIXIFHSA-N 2 2 299.353 1.948 20 30 CDEDLP N#Cc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1F ZINC001205673856 939916177 /nfs/dbraw/zinc/91/61/77/939916177.db2.gz UXQJUBFRRWCNNX-HNNXBMFYSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1F ZINC001205673856 939916181 /nfs/dbraw/zinc/91/61/81/939916181.db2.gz UXQJUBFRRWCNNX-HNNXBMFYSA-N 2 2 277.343 1.373 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898293 940108769 /nfs/dbraw/zinc/10/87/69/940108769.db2.gz LAYWSNKDDFEVFA-UHFFFAOYSA-N 2 2 276.384 1.275 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425768 940330700 /nfs/dbraw/zinc/33/07/00/940330700.db2.gz XFJFLXCYMHIXLD-DGCLKSJQSA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425768 940330705 /nfs/dbraw/zinc/33/07/05/940330705.db2.gz XFJFLXCYMHIXLD-DGCLKSJQSA-N 2 2 299.846 1.517 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216566113 940948358 /nfs/dbraw/zinc/94/83/58/940948358.db2.gz RSCMQHWUHPQJHV-IUODEOHRSA-N 2 2 290.411 1.663 20 30 CDEDLP N#CCc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)ccc1F ZINC001219518575 941351872 /nfs/dbraw/zinc/35/18/72/941351872.db2.gz QEFZQTCQKLGJKN-ZDUSSCGKSA-N 2 2 287.298 1.123 20 30 CDEDLP C=CC[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001223420093 941676324 /nfs/dbraw/zinc/67/63/24/941676324.db2.gz QPILOQLKMCOJIY-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP C=CC[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001223420093 941676328 /nfs/dbraw/zinc/67/63/28/941676328.db2.gz QPILOQLKMCOJIY-UHFFFAOYSA-N 2 2 276.384 1.357 20 30 CDEDLP CCOC(=O)C1(C#N)CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254528172 947504748 /nfs/dbraw/zinc/50/47/48/947504748.db2.gz COILBNKLPSLMFA-CQSZACIVSA-N 2 2 293.411 1.640 20 30 CDEDLP CCOC(=O)C1(C#N)CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254528172 947504759 /nfs/dbraw/zinc/50/47/59/947504759.db2.gz COILBNKLPSLMFA-CQSZACIVSA-N 2 2 293.411 1.640 20 30 CDEDLP CC(C)C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(=O)NO ZINC001256074349 948196468 /nfs/dbraw/zinc/19/64/68/948196468.db2.gz UDKVMKPCULFDHR-ZDUSSCGKSA-N 2 2 269.389 1.123 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001253188433 951788484 /nfs/dbraw/zinc/78/84/84/951788484.db2.gz YMMUXNDYTSZCAO-APIJFGDWSA-N 2 2 265.401 1.456 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001253188433 951788491 /nfs/dbraw/zinc/78/84/91/951788491.db2.gz YMMUXNDYTSZCAO-APIJFGDWSA-N 2 2 265.401 1.456 20 30 CDEDLP C=C[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001329941210 956192672 /nfs/dbraw/zinc/19/26/72/956192672.db2.gz NTSVEQPWNYNWMM-TZMCWYRMSA-N 2 2 254.374 1.030 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425940340 957647263 /nfs/dbraw/zinc/64/72/63/957647263.db2.gz AGBVNAGBHXARCS-RYUDHWBXSA-N 2 2 296.802 1.579 20 30 CDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550366 968690621 /nfs/dbraw/zinc/69/06/21/968690621.db2.gz GEQXAXPRFIENOH-UHFFFAOYSA-N 2 2 290.411 1.724 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001378618405 975417414 /nfs/dbraw/zinc/41/74/14/975417414.db2.gz ZQRUPYORFOTYJU-WCQYABFASA-N 2 2 298.818 1.929 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133242205 1163612520 /nfs/dbraw/zinc/61/25/20/1163612520.db2.gz OUIMCGOSICWFIR-KGLIPLIRSA-N 2 2 290.411 1.223 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@]2(C)C[NH2+]CCO2)cc1 ZINC001574735113 1171000329 /nfs/dbraw/zinc/00/03/29/1171000329.db2.gz AYAFDGPUPBJOSY-INIZCTEOSA-N 2 2 274.364 1.167 20 30 CDEDLP C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)C1=CC[N@H+](C)CC1 ZINC000329686184 361761820 /nfs/dbraw/zinc/76/18/20/361761820.db2.gz ALZQJBLJMPYQPJ-GFCCVEGCSA-N 2 2 291.399 1.416 20 30 CDEDLP C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)C1=CC[N@@H+](C)CC1 ZINC000329686184 361761824 /nfs/dbraw/zinc/76/18/24/361761824.db2.gz ALZQJBLJMPYQPJ-GFCCVEGCSA-N 2 2 291.399 1.416 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082641 342616713 /nfs/dbraw/zinc/61/67/13/342616713.db2.gz SWSNICYUAWATRR-CHWSQXEVSA-N 2 2 262.357 1.211 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082641 342616714 /nfs/dbraw/zinc/61/67/14/342616714.db2.gz SWSNICYUAWATRR-CHWSQXEVSA-N 2 2 262.357 1.211 20 30 CDEDLP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330246650 282182033 /nfs/dbraw/zinc/18/20/33/282182033.db2.gz FHMOQLTUZWUCCS-QWHCGFSZSA-N 2 2 291.399 1.138 20 30 CDEDLP N#Cc1sccc1N1CC[NH+](CCC[NH3+])CC1 ZINC000594735277 342949961 /nfs/dbraw/zinc/94/99/61/342949961.db2.gz JQYCTMKCJQYKCW-UHFFFAOYSA-N 2 2 250.371 1.091 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598724140 343885318 /nfs/dbraw/zinc/88/53/18/343885318.db2.gz IVONPBKAJWSGRY-KWCYVHTRSA-N 2 2 265.401 1.359 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598724140 343885320 /nfs/dbraw/zinc/88/53/20/343885320.db2.gz IVONPBKAJWSGRY-KWCYVHTRSA-N 2 2 265.401 1.359 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000598714986 343880979 /nfs/dbraw/zinc/88/09/79/343880979.db2.gz LJYUSHMHMFMYTC-CQSZACIVSA-N 2 2 286.379 1.767 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000598723272 343884798 /nfs/dbraw/zinc/88/47/98/343884798.db2.gz FPTMSJOWWIBZRX-CABCVRRESA-N 2 2 279.428 1.894 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000598723272 343884799 /nfs/dbraw/zinc/88/47/99/343884799.db2.gz FPTMSJOWWIBZRX-CABCVRRESA-N 2 2 279.428 1.894 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598700642 343889059 /nfs/dbraw/zinc/88/90/59/343889059.db2.gz DWIWWYHBSBLVGA-CABCVRRESA-N 2 2 297.443 1.234 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598700642 343889060 /nfs/dbraw/zinc/88/90/60/343889060.db2.gz DWIWWYHBSBLVGA-CABCVRRESA-N 2 2 297.443 1.234 20 30 CDEDLP CC(C)(C#N)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963238 344297352 /nfs/dbraw/zinc/29/73/52/344297352.db2.gz DIXIHTVTUVACTO-QGZVFWFLSA-N 2 2 287.407 1.763 20 30 CDEDLP CC(C)(C#N)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601963238 344297353 /nfs/dbraw/zinc/29/73/53/344297353.db2.gz DIXIHTVTUVACTO-QGZVFWFLSA-N 2 2 287.407 1.763 20 30 CDEDLP CC#CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000159958363 362381754 /nfs/dbraw/zinc/38/17/54/362381754.db2.gz GRVCYIISEDDJTL-HZPDHXFCSA-N 2 2 263.429 1.500 20 30 CDEDLP C[C@]1(C#N)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602903814 344655899 /nfs/dbraw/zinc/65/58/99/344655899.db2.gz SQGQQXQCTYYBSK-QZTJIDSGSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@]1(C#N)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602903814 344655900 /nfs/dbraw/zinc/65/59/00/344655900.db2.gz SQGQQXQCTYYBSK-QZTJIDSGSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@]1(C#N)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602903814 344655902 /nfs/dbraw/zinc/65/59/02/344655902.db2.gz SQGQQXQCTYYBSK-QZTJIDSGSA-N 2 2 299.418 1.859 20 30 CDEDLP C[C@]1(C#N)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602903814 344655904 /nfs/dbraw/zinc/65/59/04/344655904.db2.gz SQGQQXQCTYYBSK-QZTJIDSGSA-N 2 2 299.418 1.859 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602843371 344622654 /nfs/dbraw/zinc/62/26/54/344622654.db2.gz UYNLBMRXGIZHQV-IAGOWNOFSA-N 2 2 287.407 1.905 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602843371 344622655 /nfs/dbraw/zinc/62/26/55/344622655.db2.gz UYNLBMRXGIZHQV-IAGOWNOFSA-N 2 2 287.407 1.905 20 30 CDEDLP COC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618571566 345055849 /nfs/dbraw/zinc/05/58/49/345055849.db2.gz JYYSYUAOPCVWFY-KGLIPLIRSA-N 2 2 265.401 1.769 20 30 CDEDLP C=CC(C)(C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000448975280 362611733 /nfs/dbraw/zinc/61/17/33/362611733.db2.gz GWSROETUPGZJOD-UHFFFAOYSA-N 2 2 281.444 1.683 20 30 CDEDLP C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448975280 362611735 /nfs/dbraw/zinc/61/17/35/362611735.db2.gz GWSROETUPGZJOD-UHFFFAOYSA-N 2 2 281.444 1.683 20 30 CDEDLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611432038 346782334 /nfs/dbraw/zinc/78/23/34/346782334.db2.gz JLBUXRDUHLQJKZ-INIZCTEOSA-N 2 2 289.427 1.747 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000264079654 362960523 /nfs/dbraw/zinc/96/05/23/362960523.db2.gz GUZNOLPMMDTONL-CYBMUJFWSA-N 2 2 278.400 1.058 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000264079654 362960531 /nfs/dbraw/zinc/96/05/31/362960531.db2.gz GUZNOLPMMDTONL-CYBMUJFWSA-N 2 2 278.400 1.058 20 30 CDEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCOC)c1ccsc1 ZINC000264132005 362975113 /nfs/dbraw/zinc/97/51/13/362975113.db2.gz YGAGQZYWUYBIOC-CYBMUJFWSA-N 2 2 298.456 1.682 20 30 CDEDLP Cn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C#N ZINC000276742442 366135137 /nfs/dbraw/zinc/13/51/37/366135137.db2.gz JEHHRVKUICTOBT-UHFFFAOYSA-N 2 2 269.352 1.999 20 30 CDEDLP C=CCCCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000644623918 366275142 /nfs/dbraw/zinc/27/51/42/366275142.db2.gz HGDZHZLUUIUCNY-KFWWJZLASA-N 2 2 270.417 1.402 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000592068495 358583788 /nfs/dbraw/zinc/58/37/88/358583788.db2.gz ZNVXLYYXTGXMSO-UHFFFAOYSA-N 2 2 276.384 1.430 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267462515 359352851 /nfs/dbraw/zinc/35/28/51/359352851.db2.gz VRYUEMRFPZMTCX-AWEZNQCLSA-N 2 2 288.395 1.790 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267462515 359352855 /nfs/dbraw/zinc/35/28/55/359352855.db2.gz VRYUEMRFPZMTCX-AWEZNQCLSA-N 2 2 288.395 1.790 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C2CC(C)(C)C2)CC1 ZINC000491294349 364936117 /nfs/dbraw/zinc/93/61/17/364936117.db2.gz BCTATJJVOBNOBG-UHFFFAOYSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C2CC(C)(C)C2)CC1 ZINC000491294349 364936123 /nfs/dbraw/zinc/93/61/23/364936123.db2.gz BCTATJJVOBNOBG-UHFFFAOYSA-N 2 2 291.439 1.274 20 30 CDEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000358834808 367909584 /nfs/dbraw/zinc/90/95/84/367909584.db2.gz VGETYPJNSPCWNC-UHFFFAOYSA-N 2 2 293.333 1.295 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000568190172 371208092 /nfs/dbraw/zinc/20/80/92/371208092.db2.gz BLZMEKANNPBBRN-ZDUSSCGKSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000568190172 371208099 /nfs/dbraw/zinc/20/80/99/371208099.db2.gz BLZMEKANNPBBRN-ZDUSSCGKSA-N 2 2 290.411 1.745 20 30 CDEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000491039058 261305659 /nfs/dbraw/zinc/30/56/59/261305659.db2.gz MLBXUZIOZGZFSI-KGLIPLIRSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000491039058 261305660 /nfs/dbraw/zinc/30/56/60/261305660.db2.gz MLBXUZIOZGZFSI-KGLIPLIRSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000491039058 261305663 /nfs/dbraw/zinc/30/56/63/261305663.db2.gz MLBXUZIOZGZFSI-KGLIPLIRSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000491039058 261305666 /nfs/dbraw/zinc/30/56/66/261305666.db2.gz MLBXUZIOZGZFSI-KGLIPLIRSA-N 2 2 296.436 1.065 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(CC)CC)CC1 ZINC000177912061 372127333 /nfs/dbraw/zinc/12/73/33/372127333.db2.gz XJZKJWQYPKUVJG-AWEZNQCLSA-N 2 2 281.444 1.873 20 30 CDEDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(C#N)c(F)c2)CC1 ZINC000361826188 374053665 /nfs/dbraw/zinc/05/36/65/374053665.db2.gz TVBIFEBWWSDPPB-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(C#N)c(F)c2)CC1 ZINC000361826188 374053669 /nfs/dbraw/zinc/05/36/69/374053669.db2.gz TVBIFEBWWSDPPB-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000153898382 374159066 /nfs/dbraw/zinc/15/90/66/374159066.db2.gz ZPGLLIOIZYBMMO-AWEZNQCLSA-N 2 2 273.380 1.950 20 30 CDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000153898382 374159072 /nfs/dbraw/zinc/15/90/72/374159072.db2.gz ZPGLLIOIZYBMMO-AWEZNQCLSA-N 2 2 273.380 1.950 20 30 CDEDLP C=CC1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000171953633 377193869 /nfs/dbraw/zinc/19/38/69/377193869.db2.gz BRPMSVYKUZJQNZ-CQSZACIVSA-N 2 2 279.428 1.437 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190694458 377896882 /nfs/dbraw/zinc/89/68/82/377896882.db2.gz YLGVGFWXXTTZPI-MRXNPFEDSA-N 2 2 290.411 1.343 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190694458 377896888 /nfs/dbraw/zinc/89/68/88/377896888.db2.gz YLGVGFWXXTTZPI-MRXNPFEDSA-N 2 2 290.411 1.343 20 30 CDEDLP C[N@H+](Cc1ccc(CC#N)cc1)C1CC[NH+](CCO)CC1 ZINC000343513646 378914294 /nfs/dbraw/zinc/91/42/94/378914294.db2.gz QXOIBSCSBYCHME-UHFFFAOYSA-N 2 2 287.407 1.641 20 30 CDEDLP C[N@@H+](Cc1ccc(CC#N)cc1)C1CC[NH+](CCO)CC1 ZINC000343513646 378914298 /nfs/dbraw/zinc/91/42/98/378914298.db2.gz QXOIBSCSBYCHME-UHFFFAOYSA-N 2 2 287.407 1.641 20 30 CDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(C)C ZINC000491709024 391228116 /nfs/dbraw/zinc/22/81/16/391228116.db2.gz QVZSGWNRLJEMNN-OAHLLOKOSA-N 2 2 280.412 1.651 20 30 CDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCS[C@H](C(C)C)C1 ZINC000261683964 391677689 /nfs/dbraw/zinc/67/76/89/391677689.db2.gz DLBPBRMHLFXLCO-ZDUSSCGKSA-N 2 2 295.456 1.532 20 30 CDEDLP CN1CC[NH+]=C1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000262479583 391792091 /nfs/dbraw/zinc/79/20/91/391792091.db2.gz CSQSDWLIYRPKPF-CYBMUJFWSA-N 2 2 264.348 1.319 20 30 CDEDLP Cc1cc(NCCCC[N@@H+](C)C2CC2)c(C#N)c[nH+]1 ZINC000425265964 393010771 /nfs/dbraw/zinc/01/07/71/393010771.db2.gz GHKKKIPWVZPDTQ-UHFFFAOYSA-N 2 2 258.369 1.970 20 30 CDEDLP Cc1cc(NCCCC[N@H+](C)C2CC2)c(C#N)c[nH+]1 ZINC000425265964 393010776 /nfs/dbraw/zinc/01/07/76/393010776.db2.gz GHKKKIPWVZPDTQ-UHFFFAOYSA-N 2 2 258.369 1.970 20 30 CDEDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000346133590 153064511 /nfs/dbraw/zinc/06/45/11/153064511.db2.gz JQYDMYRYUJZFFM-MFKMUULPSA-N 2 2 265.332 1.270 20 30 CDEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccc1C#N ZINC000235010790 165046319 /nfs/dbraw/zinc/04/63/19/165046319.db2.gz OYFNKPJYEYGYAM-AWEZNQCLSA-N 2 2 271.364 1.893 20 30 CDEDLP COc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccc1C#N ZINC000235010790 165046324 /nfs/dbraw/zinc/04/63/24/165046324.db2.gz OYFNKPJYEYGYAM-AWEZNQCLSA-N 2 2 271.364 1.893 20 30 CDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1C[C@H](C)C[C@H](C)C1 ZINC000073066891 260279552 /nfs/dbraw/zinc/27/95/52/260279552.db2.gz LVDDGLHQRFVWTB-OKILXGFUSA-N 2 2 277.416 1.827 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430568247 263296387 /nfs/dbraw/zinc/29/63/87/263296387.db2.gz JXDVHCDKFHEBQA-AWEZNQCLSA-N 2 2 253.390 1.150 20 30 CDEDLP C#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000368026091 267136212 /nfs/dbraw/zinc/13/62/12/267136212.db2.gz ZZCUTUQFVNYKCO-SJORKVTESA-N 2 2 270.376 1.621 20 30 CDEDLP C#Cc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000368026091 267136215 /nfs/dbraw/zinc/13/62/15/267136215.db2.gz ZZCUTUQFVNYKCO-SJORKVTESA-N 2 2 270.376 1.621 20 30 CDEDLP CN(C)C(=[NH+]C[C@H](c1ccsc1)[NH+](C)C)N(C)C ZINC000262024888 328143773 /nfs/dbraw/zinc/14/37/73/328143773.db2.gz ZCPSWPKBZHRGIX-GFCCVEGCSA-N 2 2 268.430 1.830 20 30 CDEDLP CC[C@H](C)NC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267273038 328176705 /nfs/dbraw/zinc/17/67/05/328176705.db2.gz FJJARQLTQZNCNV-LBPRGKRZSA-N 2 2 280.391 1.960 20 30 CDEDLP CC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267273038 328176706 /nfs/dbraw/zinc/17/67/06/328176706.db2.gz FJJARQLTQZNCNV-LBPRGKRZSA-N 2 2 280.391 1.960 20 30 CDEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000578761735 324017931 /nfs/dbraw/zinc/01/79/31/324017931.db2.gz OLKMTOCYHRVSGO-GOSISDBHSA-N 2 2 299.418 1.960 20 30 CDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000578761735 324017935 /nfs/dbraw/zinc/01/79/35/324017935.db2.gz OLKMTOCYHRVSGO-GOSISDBHSA-N 2 2 299.418 1.960 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000578761735 324017940 /nfs/dbraw/zinc/01/79/40/324017940.db2.gz OLKMTOCYHRVSGO-GOSISDBHSA-N 2 2 299.418 1.960 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000578761735 324017944 /nfs/dbraw/zinc/01/79/44/324017944.db2.gz OLKMTOCYHRVSGO-GOSISDBHSA-N 2 2 299.418 1.960 20 30 CDEDLP C[C@H]1CCCN(C(=[NH2+])NCC[NH+]2CCSCC2)C1 ZINC000262536889 330020165 /nfs/dbraw/zinc/02/01/65/330020165.db2.gz QBPHEEDERJZAPO-LBPRGKRZSA-N 2 2 270.446 1.082 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000424140440 330280645 /nfs/dbraw/zinc/28/06/45/330280645.db2.gz FZZBPYWTHIUIRP-NSHDSACASA-N 3 2 284.323 1.227 20 30 CDEDLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424148019 330294883 /nfs/dbraw/zinc/29/48/83/330294883.db2.gz SRYCVDUUSDGFLH-GFCCVEGCSA-N 2 2 277.372 1.176 20 30 CDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449522187 330933632 /nfs/dbraw/zinc/93/36/32/330933632.db2.gz ULPMBCVVAJPOSQ-SJORKVTESA-N 2 2 287.407 1.979 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000491483831 332219463 /nfs/dbraw/zinc/21/94/63/332219463.db2.gz FNLQMMDEUJLHMD-RDJZCZTQSA-N 2 2 299.418 1.379 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000491483831 332219464 /nfs/dbraw/zinc/21/94/64/332219464.db2.gz FNLQMMDEUJLHMD-RDJZCZTQSA-N 2 2 299.418 1.379 20 30 CDEDLP C=CCC1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCOCC1 ZINC000668551026 482474746 /nfs/dbraw/zinc/47/47/46/482474746.db2.gz GRTHJUKNCSNHEM-INIZCTEOSA-N 2 2 294.439 1.955 20 30 CDEDLP COCC#CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000677819977 482795799 /nfs/dbraw/zinc/79/57/99/482795799.db2.gz QXGJDFXWCMLMKP-GDBMZVCRSA-N 2 2 262.397 1.585 20 30 CDEDLP COCC#CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000677819977 482795804 /nfs/dbraw/zinc/79/58/04/482795804.db2.gz QXGJDFXWCMLMKP-GDBMZVCRSA-N 2 2 262.397 1.585 20 30 CDEDLP COCC#CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000677819977 482795808 /nfs/dbraw/zinc/79/58/08/482795808.db2.gz QXGJDFXWCMLMKP-GDBMZVCRSA-N 2 2 262.397 1.585 20 30 CDEDLP COCC#CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000677819977 482795812 /nfs/dbraw/zinc/79/58/12/482795812.db2.gz QXGJDFXWCMLMKP-GDBMZVCRSA-N 2 2 262.397 1.585 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000685000796 483064032 /nfs/dbraw/zinc/06/40/32/483064032.db2.gz XMMJTEQHVYANLJ-KBPBESRZSA-N 2 2 274.368 1.307 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000685000796 483064036 /nfs/dbraw/zinc/06/40/36/483064036.db2.gz XMMJTEQHVYANLJ-KBPBESRZSA-N 2 2 274.368 1.307 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000988750834 1160648004 /nfs/dbraw/zinc/64/80/04/1160648004.db2.gz NEZMDKVITSQGBJ-NEPJUHHUSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001113383627 1162166655 /nfs/dbraw/zinc/16/66/55/1162166655.db2.gz IVIXOTLZHKSMGP-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP CCCCCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113727443 1162269491 /nfs/dbraw/zinc/26/94/91/1162269491.db2.gz VJYVVAYNQRBVNS-UHFFFAOYSA-N 2 2 292.427 1.998 20 30 CDEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000733327425 575114998 /nfs/dbraw/zinc/11/49/98/575114998.db2.gz WKYBCTCNOZYXQW-OAHLLOKOSA-N 2 2 258.365 1.882 20 30 CDEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000733327425 575114999 /nfs/dbraw/zinc/11/49/99/575114999.db2.gz WKYBCTCNOZYXQW-OAHLLOKOSA-N 2 2 258.365 1.882 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000772667793 575734070 /nfs/dbraw/zinc/73/40/70/575734070.db2.gz RTHYONVNEVHAQE-AWEZNQCLSA-N 2 2 279.428 1.321 20 30 CDEDLP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812970 613008294 /nfs/dbraw/zinc/00/82/94/613008294.db2.gz PMHFTBMBUJDIPS-HNNXBMFYSA-N 2 2 288.395 1.288 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812970 613008296 /nfs/dbraw/zinc/00/82/96/613008296.db2.gz PMHFTBMBUJDIPS-HNNXBMFYSA-N 2 2 288.395 1.288 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701067 613269737 /nfs/dbraw/zinc/26/97/37/613269737.db2.gz DJPXTRHMHGFBCW-LSDHHAIUSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701067 613269740 /nfs/dbraw/zinc/26/97/40/613269740.db2.gz DJPXTRHMHGFBCW-LSDHHAIUSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000950466166 613295194 /nfs/dbraw/zinc/29/51/94/613295194.db2.gz LORPPNCAVCFIIC-MRXNPFEDSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000950466166 613295195 /nfs/dbraw/zinc/29/51/95/613295195.db2.gz LORPPNCAVCFIIC-MRXNPFEDSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000950502731 613316485 /nfs/dbraw/zinc/31/64/85/613316485.db2.gz VRWJXWZKJZMPFV-AWEZNQCLSA-N 2 2 265.401 1.049 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000950502731 613316486 /nfs/dbraw/zinc/31/64/86/613316486.db2.gz VRWJXWZKJZMPFV-AWEZNQCLSA-N 2 2 265.401 1.049 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000949308318 613321110 /nfs/dbraw/zinc/32/11/10/613321110.db2.gz UAVHREVUVLCMBD-UHFFFAOYSA-N 2 2 284.363 1.668 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947758797 613335078 /nfs/dbraw/zinc/33/50/78/613335078.db2.gz SKLMSBWRBLWEFC-STQMWFEESA-N 2 2 276.384 1.497 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947758797 613335079 /nfs/dbraw/zinc/33/50/79/613335079.db2.gz SKLMSBWRBLWEFC-STQMWFEESA-N 2 2 276.384 1.497 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091361 613521518 /nfs/dbraw/zinc/52/15/18/613521518.db2.gz YANKUCYYGWMIIG-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091361 613521520 /nfs/dbraw/zinc/52/15/20/613521520.db2.gz YANKUCYYGWMIIG-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980247130 613834165 /nfs/dbraw/zinc/83/41/65/613834165.db2.gz PQAQRFZRYIKMIM-RRFJBIMHSA-N 2 2 288.395 1.286 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980247130 613834166 /nfs/dbraw/zinc/83/41/66/613834166.db2.gz PQAQRFZRYIKMIM-RRFJBIMHSA-N 2 2 288.395 1.286 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981355009 613860525 /nfs/dbraw/zinc/86/05/25/613860525.db2.gz WMICWKWEFIYNCA-VXGBXAGGSA-N 2 2 262.357 1.155 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000783292886 617592454 /nfs/dbraw/zinc/59/24/54/617592454.db2.gz CVQKRSJUQOMJOC-HIFRSBDPSA-N 2 2 256.353 1.670 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000783292886 617592457 /nfs/dbraw/zinc/59/24/57/617592457.db2.gz CVQKRSJUQOMJOC-HIFRSBDPSA-N 2 2 256.353 1.670 20 30 CDEDLP CN(C)c1cc[nH+]c(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000905526214 626852763 /nfs/dbraw/zinc/85/27/63/626852763.db2.gz UQYUQJQDYVCIDQ-QGZVFWFLSA-N 2 2 296.374 1.842 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484127 1162637544 /nfs/dbraw/zinc/63/75/44/1162637544.db2.gz FTHCNNPHBZPMHB-CYBMUJFWSA-N 2 2 276.384 1.118 20 30 CDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222204 1163204205 /nfs/dbraw/zinc/20/42/05/1163204205.db2.gz VFIPVPUPOZCHGL-LSDHHAIUSA-N 2 2 288.395 1.266 20 30 CDEDLP CC#CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222204 1163204211 /nfs/dbraw/zinc/20/42/11/1163204211.db2.gz VFIPVPUPOZCHGL-LSDHHAIUSA-N 2 2 288.395 1.266 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001019041335 1166940324 /nfs/dbraw/zinc/94/03/24/1166940324.db2.gz OMWMRIRCPZWLTK-LBPRGKRZSA-N 2 2 270.336 1.553 20 30 CDEDLP N#Cc1ccc2cc[nH+]c(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2c1 ZINC001155542070 1167224026 /nfs/dbraw/zinc/22/40/26/1167224026.db2.gz ZIYRKSMFSQGSCH-CZUORRHYSA-N 2 2 280.331 1.649 20 30 CDEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@]1(O)CCC[NH2+]C1 ZINC001573311082 1170653024 /nfs/dbraw/zinc/65/30/24/1170653024.db2.gz WHPLGBDEHFYFHL-KRWDZBQOSA-N 2 2 290.407 1.798 20 30 CDEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@]1(O)CCC[NH2+]C1 ZINC001573311082 1170653029 /nfs/dbraw/zinc/65/30/29/1170653029.db2.gz WHPLGBDEHFYFHL-KRWDZBQOSA-N 2 2 290.407 1.798 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC001574674253 1170998724 /nfs/dbraw/zinc/99/87/24/1170998724.db2.gz XHMUMAWRSOXBLR-DOTOQJQBSA-N 2 2 297.402 1.087 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC001574674253 1170998727 /nfs/dbraw/zinc/99/87/27/1170998727.db2.gz XHMUMAWRSOXBLR-DOTOQJQBSA-N 2 2 297.402 1.087 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001717341234 1180623721 /nfs/dbraw/zinc/62/37/21/1180623721.db2.gz KLPWBKSJXDSUPR-KBPBESRZSA-N 2 2 290.411 1.506 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001752807458 1184919297 /nfs/dbraw/zinc/91/92/97/1184919297.db2.gz HIEJFJJTHGNOGT-CYBMUJFWSA-N 2 2 276.384 1.357 20 30 CDEDLP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001753790458 1185335609 /nfs/dbraw/zinc/33/56/09/1185335609.db2.gz NVZDJPVHLXLIFR-HNNXBMFYSA-N 2 2 288.395 1.267 20 30 CDEDLP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001754709531 1185712633 /nfs/dbraw/zinc/71/26/33/1185712633.db2.gz OYYRTGNQUHJXEZ-INIZCTEOSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001755690487 1186037592 /nfs/dbraw/zinc/03/75/92/1186037592.db2.gz WSIJXIXZTDTNAA-AAEUAGOBSA-N 2 2 276.384 1.416 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001755686723 1186038447 /nfs/dbraw/zinc/03/84/47/1186038447.db2.gz OZORCZPYLXKRAT-GXTWGEPZSA-N 2 2 276.384 1.497 20 30 CDEDLP N#CCc1cc[nH+]c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001155525615 1167214130 /nfs/dbraw/zinc/21/41/30/1167214130.db2.gz AKYRLUCUDNCTII-MGPQQGTHSA-N 2 2 272.352 1.184 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001095035439 912227986 /nfs/dbraw/zinc/22/79/86/912227986.db2.gz GQZXHKJOIAHGGJ-IHRRRGAJSA-N 2 2 288.395 1.118 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])NC2CCC(CC#N)CC2)CC1 ZINC001173329339 912428527 /nfs/dbraw/zinc/42/85/27/912428527.db2.gz GDARMSKZNMKMIP-UHFFFAOYSA-N 2 2 263.389 1.231 20 30 CDEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992520815 913260413 /nfs/dbraw/zinc/26/04/13/913260413.db2.gz ASMKZDZRHKMHKQ-GOEBONIOSA-N 2 2 288.395 1.572 20 30 CDEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992520815 913260429 /nfs/dbraw/zinc/26/04/29/913260429.db2.gz ASMKZDZRHKMHKQ-GOEBONIOSA-N 2 2 288.395 1.572 20 30 CDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455555 913942837 /nfs/dbraw/zinc/94/28/37/913942837.db2.gz ZUQBHVRSJADEGE-CZUORRHYSA-N 2 2 299.418 1.938 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001027596792 900651345 /nfs/dbraw/zinc/65/13/45/900651345.db2.gz ANSVFVLOFOMJGC-GJZGRUSLSA-N 2 2 290.411 1.943 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001027596792 900651351 /nfs/dbraw/zinc/65/13/51/900651351.db2.gz ANSVFVLOFOMJGC-GJZGRUSLSA-N 2 2 290.411 1.943 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028130007 901401088 /nfs/dbraw/zinc/40/10/88/901401088.db2.gz IVSKNNOWBIFVQJ-OLZOCXBDSA-N 2 2 286.379 1.043 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028130007 901401095 /nfs/dbraw/zinc/40/10/95/901401095.db2.gz IVSKNNOWBIFVQJ-OLZOCXBDSA-N 2 2 286.379 1.043 20 30 CDEDLP CCc1nc(C#N)c(NC(=[NH2+])NCCCC[NH3+])nc1Cl ZINC001167877429 901592388 /nfs/dbraw/zinc/59/23/88/901592388.db2.gz CWAZUUIXONFRRN-UHFFFAOYSA-N 2 2 295.778 1.239 20 30 CDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985752019 907092209 /nfs/dbraw/zinc/09/22/09/907092209.db2.gz QHBMYWDHZGBGTA-UHFFFAOYSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985752019 907092227 /nfs/dbraw/zinc/09/22/27/907092227.db2.gz QHBMYWDHZGBGTA-UHFFFAOYSA-N 2 2 290.411 1.462 20 30 CDEDLP C[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C#N)C[N@@H+]1Cc1ccccc1 ZINC001171753929 910928212 /nfs/dbraw/zinc/92/82/12/910928212.db2.gz YPTVMGKXMKBORZ-HYVNUMGLSA-N 2 2 284.407 1.447 20 30 CDEDLP C[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C#N)C[N@H+]1Cc1ccccc1 ZINC001171753929 910928228 /nfs/dbraw/zinc/92/82/28/910928228.db2.gz YPTVMGKXMKBORZ-HYVNUMGLSA-N 2 2 284.407 1.447 20 30 CDEDLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302460 911546222 /nfs/dbraw/zinc/54/62/22/911546222.db2.gz KDRXNUOIFMRNAX-SWLSCSKDSA-N 2 2 289.379 1.359 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)s1 ZINC001206185905 912130696 /nfs/dbraw/zinc/13/06/96/912130696.db2.gz PDQWIRIIFQKXCL-VXGBXAGGSA-N 2 2 253.346 1.881 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)s1 ZINC001206185905 912130701 /nfs/dbraw/zinc/13/07/01/912130701.db2.gz PDQWIRIIFQKXCL-VXGBXAGGSA-N 2 2 253.346 1.881 20 30 CDEDLP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001031784146 915860539 /nfs/dbraw/zinc/86/05/39/915860539.db2.gz LPYAMWRWDHOOTJ-CQSZACIVSA-N 2 2 288.395 1.070 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001054895386 936476995 /nfs/dbraw/zinc/47/69/95/936476995.db2.gz DUPCVTRBQGEZBP-ZIAGYGMSSA-N 2 2 298.390 1.961 20 30 CDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032664794 919699573 /nfs/dbraw/zinc/69/95/73/919699573.db2.gz SKDOMFCDKMZBIO-JYJNAYRXSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032664794 919699583 /nfs/dbraw/zinc/69/95/83/919699583.db2.gz SKDOMFCDKMZBIO-JYJNAYRXSA-N 2 2 289.423 1.169 20 30 CDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000999684357 919781465 /nfs/dbraw/zinc/78/14/65/919781465.db2.gz SUFNNEXLFLDQBE-ZDUSSCGKSA-N 2 2 284.363 1.715 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3cc(C#N)ccc32)CC1 ZINC001168735266 921820632 /nfs/dbraw/zinc/82/06/32/921820632.db2.gz KXRVYLMZEGISBE-UHFFFAOYSA-N 2 2 295.350 1.096 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C#N)c(Cl)cn2)CC1 ZINC001168735974 921864564 /nfs/dbraw/zinc/86/45/64/921864564.db2.gz HJXCACCOTNWYGZ-UHFFFAOYSA-N 2 2 278.747 1.201 20 30 CDEDLP C#CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000775400601 922089643 /nfs/dbraw/zinc/08/96/43/922089643.db2.gz QEBDAIWYIOPJLV-IAGOWNOFSA-N 2 2 272.392 1.797 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757022 922149639 /nfs/dbraw/zinc/14/96/39/922149639.db2.gz ZJNFHEZTEPDBIP-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757022 922149645 /nfs/dbraw/zinc/14/96/45/922149645.db2.gz ZJNFHEZTEPDBIP-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757022 922149651 /nfs/dbraw/zinc/14/96/51/922149651.db2.gz ZJNFHEZTEPDBIP-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757022 922149652 /nfs/dbraw/zinc/14/96/52/922149652.db2.gz ZJNFHEZTEPDBIP-MGPQQGTHSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033365641 922182630 /nfs/dbraw/zinc/18/26/30/922182630.db2.gz JFQNXBAONNFWTM-AWEZNQCLSA-N 2 2 291.395 1.674 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033365641 922182648 /nfs/dbraw/zinc/18/26/48/922182648.db2.gz JFQNXBAONNFWTM-AWEZNQCLSA-N 2 2 291.395 1.674 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033594233 922274237 /nfs/dbraw/zinc/27/42/37/922274237.db2.gz LNDNVRJZTTYUCZ-ZDUSSCGKSA-N 2 2 276.384 1.071 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033594233 922274251 /nfs/dbraw/zinc/27/42/51/922274251.db2.gz LNDNVRJZTTYUCZ-ZDUSSCGKSA-N 2 2 276.384 1.071 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033616870 922288908 /nfs/dbraw/zinc/28/89/08/922288908.db2.gz NCONOQWUIRESEV-CYBMUJFWSA-N 2 2 276.384 1.369 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033616870 922288921 /nfs/dbraw/zinc/28/89/21/922288921.db2.gz NCONOQWUIRESEV-CYBMUJFWSA-N 2 2 276.384 1.369 20 30 CDEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035695041 923029776 /nfs/dbraw/zinc/02/97/76/923029776.db2.gz JRJYPDALPUMXAB-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001036192604 923123451 /nfs/dbraw/zinc/12/34/51/923123451.db2.gz IFROZMBAIGHIOS-GWCFXTLKSA-N 2 2 296.802 1.531 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036702871 923687883 /nfs/dbraw/zinc/68/78/83/923687883.db2.gz SSJGGBWVNURRHK-KBPBESRZSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036702871 923687896 /nfs/dbraw/zinc/68/78/96/923687896.db2.gz SSJGGBWVNURRHK-KBPBESRZSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100934397 936946945 /nfs/dbraw/zinc/94/69/45/936946945.db2.gz OMEOTSNRROMJKG-UHFFFAOYSA-N 2 2 276.384 1.023 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000852750863 927861160 /nfs/dbraw/zinc/86/11/60/927861160.db2.gz HPZVPKSGJYVJEH-LLVKDONJSA-N 2 2 255.753 1.126 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000852750863 927861170 /nfs/dbraw/zinc/86/11/70/927861170.db2.gz HPZVPKSGJYVJEH-LLVKDONJSA-N 2 2 255.753 1.126 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544743 929781415 /nfs/dbraw/zinc/78/14/15/929781415.db2.gz IGKKYXKEFZIGJZ-NWDGAFQWSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544743 929781419 /nfs/dbraw/zinc/78/14/19/929781419.db2.gz IGKKYXKEFZIGJZ-NWDGAFQWSA-N 2 2 264.373 1.401 20 30 CDEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134965351 929982272 /nfs/dbraw/zinc/98/22/72/929982272.db2.gz WVTKEAWFMJUABH-KGLIPLIRSA-N 2 2 298.390 1.844 20 30 CDEDLP C=CC[NH2+]CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135301347 930136022 /nfs/dbraw/zinc/13/60/22/930136022.db2.gz WWFJOJXWICTYTK-UHFFFAOYSA-N 2 2 272.352 1.077 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(OC)c(OC)cc1F ZINC000883131312 930146509 /nfs/dbraw/zinc/14/65/09/930146509.db2.gz VNZQFGJBWKVVKO-UHFFFAOYSA-N 2 2 294.370 1.888 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(OC)c(OC)cc1F ZINC000883131312 930146514 /nfs/dbraw/zinc/14/65/14/930146514.db2.gz VNZQFGJBWKVVKO-UHFFFAOYSA-N 2 2 294.370 1.888 20 30 CDEDLP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552160 930259212 /nfs/dbraw/zinc/25/92/12/930259212.db2.gz BJLVVTDXEIHPNX-OLZOCXBDSA-N 2 2 294.399 1.028 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc[nH+]c(N(C)C)n2)C1 ZINC000884612138 930606247 /nfs/dbraw/zinc/60/62/47/930606247.db2.gz FFLFRNYQOXWQPP-LBPRGKRZSA-N 2 2 259.357 1.052 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c(N(C)C)n2)C1 ZINC000884612138 930606249 /nfs/dbraw/zinc/60/62/49/930606249.db2.gz FFLFRNYQOXWQPP-LBPRGKRZSA-N 2 2 259.357 1.052 20 30 CDEDLP N#Cc1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1 ZINC001155054257 937627994 /nfs/dbraw/zinc/62/79/94/937627994.db2.gz VXUFJORJMIBLKG-UHFFFAOYSA-N 2 2 253.309 1.606 20 30 CDEDLP N#CC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000930278034 933348162 /nfs/dbraw/zinc/34/81/62/933348162.db2.gz IIRAFMLDOLBZGW-IXDOHACOSA-N 2 2 285.391 1.325 20 30 CDEDLP N#CC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000930278034 933348172 /nfs/dbraw/zinc/34/81/72/933348172.db2.gz IIRAFMLDOLBZGW-IXDOHACOSA-N 2 2 285.391 1.325 20 30 CDEDLP N#CC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000930278034 933348182 /nfs/dbraw/zinc/34/81/82/933348182.db2.gz IIRAFMLDOLBZGW-IXDOHACOSA-N 2 2 285.391 1.325 20 30 CDEDLP N#CC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000930278034 933348189 /nfs/dbraw/zinc/34/81/89/933348189.db2.gz IIRAFMLDOLBZGW-IXDOHACOSA-N 2 2 285.391 1.325 20 30 CDEDLP C=C(C)CNC(=[NH2+])NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000303777084 935043410 /nfs/dbraw/zinc/04/34/10/935043410.db2.gz IOSXTBWIJYQAKO-OAHLLOKOSA-N 2 2 296.459 1.604 20 30 CDEDLP C=C[C@@H](O)C[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001253604250 935341326 /nfs/dbraw/zinc/34/13/26/935341326.db2.gz HPYFOYHJQOQIAR-CQSZACIVSA-N 2 2 261.369 1.435 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014469704 935538612 /nfs/dbraw/zinc/53/86/12/935538612.db2.gz TWRUXNRYNJRARW-UONOGXRCSA-N 2 2 297.830 1.271 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014469704 935538614 /nfs/dbraw/zinc/53/86/14/935538614.db2.gz TWRUXNRYNJRARW-UONOGXRCSA-N 2 2 297.830 1.271 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014809795 935550670 /nfs/dbraw/zinc/55/06/70/935550670.db2.gz DBMDICXCWVJNEF-YNEHKIRRSA-N 2 2 274.368 1.280 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014809795 935550671 /nfs/dbraw/zinc/55/06/71/935550671.db2.gz DBMDICXCWVJNEF-YNEHKIRRSA-N 2 2 274.368 1.280 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001014809795 935550673 /nfs/dbraw/zinc/55/06/73/935550673.db2.gz DBMDICXCWVJNEF-YNEHKIRRSA-N 2 2 274.368 1.280 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001014809795 935550676 /nfs/dbraw/zinc/55/06/76/935550676.db2.gz DBMDICXCWVJNEF-YNEHKIRRSA-N 2 2 274.368 1.280 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015622280 935576471 /nfs/dbraw/zinc/57/64/71/935576471.db2.gz DYMCKHPHICKIMM-CQSZACIVSA-N 2 2 291.395 1.721 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649328 935577668 /nfs/dbraw/zinc/57/76/68/935577668.db2.gz SGQBBDWZIORELH-CYBMUJFWSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649328 935577670 /nfs/dbraw/zinc/57/76/70/935577670.db2.gz SGQBBDWZIORELH-CYBMUJFWSA-N 2 2 285.819 1.271 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039053331 935767881 /nfs/dbraw/zinc/76/78/81/935767881.db2.gz SYPKVZGETMLPFY-HNNXBMFYSA-N 2 2 285.391 1.186 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039053331 935767883 /nfs/dbraw/zinc/76/78/83/935767883.db2.gz SYPKVZGETMLPFY-HNNXBMFYSA-N 2 2 285.391 1.186 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039443470 935775307 /nfs/dbraw/zinc/77/53/07/935775307.db2.gz SANGBPPHWWPGKY-CABCVRRESA-N 2 2 286.379 1.041 20 30 CDEDLP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039443470 935775308 /nfs/dbraw/zinc/77/53/08/935775308.db2.gz SANGBPPHWWPGKY-CABCVRRESA-N 2 2 286.379 1.041 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001044033911 935848890 /nfs/dbraw/zinc/84/88/90/935848890.db2.gz ZWSZGBBOFLIRCM-ZBFHGGJFSA-N 2 2 291.439 1.722 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001044033911 935848891 /nfs/dbraw/zinc/84/88/91/935848891.db2.gz ZWSZGBBOFLIRCM-ZBFHGGJFSA-N 2 2 291.439 1.722 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@](C)([NH3+])CC(C)C)CC1 ZINC001160432029 938786917 /nfs/dbraw/zinc/78/69/17/938786917.db2.gz LIHPVDVCGUUMGO-CQSZACIVSA-N 2 2 253.390 1.080 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161301896 938885641 /nfs/dbraw/zinc/88/56/41/938885641.db2.gz ZYRGKRLIVHJCBK-CYBMUJFWSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001163274646 939236826 /nfs/dbraw/zinc/23/68/26/939236826.db2.gz BDXAAGGTJXSXLW-HNNXBMFYSA-N 2 2 297.443 1.159 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001163274646 939236830 /nfs/dbraw/zinc/23/68/30/939236830.db2.gz BDXAAGGTJXSXLW-HNNXBMFYSA-N 2 2 297.443 1.159 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594000 939291031 /nfs/dbraw/zinc/29/10/31/939291031.db2.gz QOHZDIKOCUJZIH-AWEZNQCLSA-N 2 2 278.400 1.724 20 30 CDEDLP C#CCC[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165383103 939553560 /nfs/dbraw/zinc/55/35/60/939553560.db2.gz ASNJJCSAKPCYGD-UHFFFAOYSA-N 2 2 288.395 1.242 20 30 CDEDLP C#CCC[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165383103 939553563 /nfs/dbraw/zinc/55/35/63/939553563.db2.gz ASNJJCSAKPCYGD-UHFFFAOYSA-N 2 2 288.395 1.242 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1F ZINC001206174560 939991282 /nfs/dbraw/zinc/99/12/82/939991282.db2.gz OFVYYYKIRWFYHJ-JSGCOSHPSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1F ZINC001206174560 939991286 /nfs/dbraw/zinc/99/12/86/939991286.db2.gz OFVYYYKIRWFYHJ-JSGCOSHPSA-N 2 2 265.307 1.959 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208365970 940325113 /nfs/dbraw/zinc/32/51/13/940325113.db2.gz UQPBRDZDJXGWJG-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365970 940325116 /nfs/dbraw/zinc/32/51/16/940325116.db2.gz UQPBRDZDJXGWJG-BFHYXJOUSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217006128 940972438 /nfs/dbraw/zinc/97/24/38/940972438.db2.gz XDBDORVNGWVWCL-RBSFLKMASA-N 2 2 290.411 1.674 20 30 CDEDLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2=CC(=O)CCC2)cc1 ZINC001219885124 941393595 /nfs/dbraw/zinc/39/35/95/941393595.db2.gz IDSMUJBDBIIFKN-CQSZACIVSA-N 2 2 273.336 1.012 20 30 CDEDLP CC(C)C[C@@H](C#N)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220702771 941465086 /nfs/dbraw/zinc/46/50/86/941465086.db2.gz GGNXJMMGRYODOM-KBPBESRZSA-N 2 2 274.368 1.313 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229327479 942453750 /nfs/dbraw/zinc/45/37/50/942453750.db2.gz QDUXNCVCBNMORZ-CHWSQXEVSA-N 2 2 276.384 1.545 20 30 CDEDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC001237463313 944794502 /nfs/dbraw/zinc/79/45/02/944794502.db2.gz OZIHTZUIFHEXJB-UHFFFAOYSA-N 2 2 293.374 1.979 20 30 CDEDLP CC[C@@H](CC#N)[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001255170914 947764742 /nfs/dbraw/zinc/76/47/42/947764742.db2.gz ZPKMUVZUZRHMGE-OWCLPIDISA-N 2 2 295.427 1.348 20 30 CDEDLP CC[C@@H](CC#N)[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001255170914 947764748 /nfs/dbraw/zinc/76/47/48/947764748.db2.gz ZPKMUVZUZRHMGE-OWCLPIDISA-N 2 2 295.427 1.348 20 30 CDEDLP CC[C@@H](CC#N)[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001255170914 947764752 /nfs/dbraw/zinc/76/47/52/947764752.db2.gz ZPKMUVZUZRHMGE-OWCLPIDISA-N 2 2 295.427 1.348 20 30 CDEDLP CC[C@@H](CC#N)[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001255170914 947764756 /nfs/dbraw/zinc/76/47/56/947764756.db2.gz ZPKMUVZUZRHMGE-OWCLPIDISA-N 2 2 295.427 1.348 20 30 CDEDLP C=C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001253598684 951986205 /nfs/dbraw/zinc/98/62/05/951986205.db2.gz WKSBBWFYGKIMDD-MRXNPFEDSA-N 2 2 276.380 1.155 20 30 CDEDLP C#CC[C@@H](CCOC)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC001328716383 955435016 /nfs/dbraw/zinc/43/50/16/955435016.db2.gz JEDKPVZHWKBIMY-LBPRGKRZSA-N 2 2 281.425 1.723 20 30 CDEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001353245046 967818262 /nfs/dbraw/zinc/81/82/62/967818262.db2.gz BZYAFZGFUHIBEV-OLZOCXBDSA-N 2 2 253.390 1.361 20 30 CDEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001353245046 967818273 /nfs/dbraw/zinc/81/82/73/967818273.db2.gz BZYAFZGFUHIBEV-OLZOCXBDSA-N 2 2 253.390 1.361 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000848913020 969350512 /nfs/dbraw/zinc/35/05/12/969350512.db2.gz ZOYXMUDAYWJRKN-CABCVRRESA-N 2 2 264.413 1.877 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001373648838 973543241 /nfs/dbraw/zinc/54/32/41/973543241.db2.gz QPWVNPLADWNMQW-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001373648838 973543252 /nfs/dbraw/zinc/54/32/52/973543252.db2.gz QPWVNPLADWNMQW-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001373648838 973543257 /nfs/dbraw/zinc/54/32/57/973543257.db2.gz QPWVNPLADWNMQW-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001373648838 973543268 /nfs/dbraw/zinc/54/32/68/973543268.db2.gz QPWVNPLADWNMQW-GFCCVEGCSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001418464298 973870959 /nfs/dbraw/zinc/87/09/59/973870959.db2.gz VFKXIIDSXSQKRS-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001418464298 973870966 /nfs/dbraw/zinc/87/09/66/973870966.db2.gz VFKXIIDSXSQKRS-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001418464298 973870970 /nfs/dbraw/zinc/87/09/70/973870970.db2.gz VFKXIIDSXSQKRS-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001418464298 973870980 /nfs/dbraw/zinc/87/09/80/973870980.db2.gz VFKXIIDSXSQKRS-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001377513374 975058519 /nfs/dbraw/zinc/05/85/19/975058519.db2.gz TWYFQTLUHNBJJX-NSHDSACASA-N 2 2 284.791 1.200 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001401374557 975626022 /nfs/dbraw/zinc/62/60/22/975626022.db2.gz ANFNMBUZMWUYCP-CYBMUJFWSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001401374557 975626028 /nfs/dbraw/zinc/62/60/28/975626028.db2.gz ANFNMBUZMWUYCP-CYBMUJFWSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001401374557 975626033 /nfs/dbraw/zinc/62/60/33/975626033.db2.gz ANFNMBUZMWUYCP-CYBMUJFWSA-N 2 2 287.835 1.613 20 30 CDEDLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000589258951 342502085 /nfs/dbraw/zinc/50/20/85/342502085.db2.gz HJUWZTPAICNXLB-LRDDRELGSA-N 2 2 273.380 1.664 20 30 CDEDLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000589258951 342502086 /nfs/dbraw/zinc/50/20/86/342502086.db2.gz HJUWZTPAICNXLB-LRDDRELGSA-N 2 2 273.380 1.664 20 30 CDEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000591756310 342643855 /nfs/dbraw/zinc/64/38/55/342643855.db2.gz XXWMOJBDEDBMDX-KBMXLJTQSA-N 2 2 290.411 1.397 20 30 CDEDLP Cc1ccc(CCC[N@@H+]2CC[C@@](O)(CC#N)C2)c[nH+]1 ZINC000592521782 342701948 /nfs/dbraw/zinc/70/19/48/342701948.db2.gz CBGYHABSGNAAKM-HNNXBMFYSA-N 2 2 259.353 1.673 20 30 CDEDLP Cc1ccc(CCC[N@H+]2CC[C@@](O)(CC#N)C2)c[nH+]1 ZINC000592521782 342701949 /nfs/dbraw/zinc/70/19/49/342701949.db2.gz CBGYHABSGNAAKM-HNNXBMFYSA-N 2 2 259.353 1.673 20 30 CDEDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000593970990 342858754 /nfs/dbraw/zinc/85/87/54/342858754.db2.gz BKKXUCCWCXXDLX-CJNGLKHVSA-N 2 2 291.395 1.148 20 30 CDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000593970990 342858755 /nfs/dbraw/zinc/85/87/55/342858755.db2.gz BKKXUCCWCXXDLX-CJNGLKHVSA-N 2 2 291.395 1.148 20 30 CDEDLP N#CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000594606501 342925082 /nfs/dbraw/zinc/92/50/82/342925082.db2.gz LCFLPRLVHMMGPV-HNNXBMFYSA-N 2 2 277.412 1.913 20 30 CDEDLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000595513536 343082573 /nfs/dbraw/zinc/08/25/73/343082573.db2.gz VOGHHARTUULLQD-HUUCEWRRSA-N 2 2 279.428 1.751 20 30 CDEDLP CCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000085262471 342382500 /nfs/dbraw/zinc/38/25/00/342382500.db2.gz RRNCPNYQDAXFTH-UHFFFAOYSA-N 2 2 291.395 1.690 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1Cl ZINC000600741499 349878727 /nfs/dbraw/zinc/87/87/27/349878727.db2.gz OMNVJEWYZDQMJR-AWEZNQCLSA-N 2 2 293.798 1.758 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000598723275 343884855 /nfs/dbraw/zinc/88/48/55/343884855.db2.gz FPTMSJOWWIBZRX-HUUCEWRRSA-N 2 2 279.428 1.894 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000598723275 343884857 /nfs/dbraw/zinc/88/48/57/343884857.db2.gz FPTMSJOWWIBZRX-HUUCEWRRSA-N 2 2 279.428 1.894 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602667488 350139767 /nfs/dbraw/zinc/13/97/67/350139767.db2.gz PDZOVTMCNNSCTE-GFCCVEGCSA-N 2 2 267.336 1.676 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602667488 350139771 /nfs/dbraw/zinc/13/97/71/350139771.db2.gz PDZOVTMCNNSCTE-GFCCVEGCSA-N 2 2 267.336 1.676 20 30 CDEDLP N#Cc1cnn2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cnc12 ZINC000603894034 350326293 /nfs/dbraw/zinc/32/62/93/350326293.db2.gz GHDBVBNGKKOUAY-CABCVRRESA-N 2 2 296.378 1.317 20 30 CDEDLP N#Cc1cnn2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cnc12 ZINC000603894034 350326295 /nfs/dbraw/zinc/32/62/95/350326295.db2.gz GHDBVBNGKKOUAY-CABCVRRESA-N 2 2 296.378 1.317 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264117764 362971673 /nfs/dbraw/zinc/97/16/73/362971673.db2.gz TWYVGRFCAZIBRC-PWSUYJOCSA-N 2 2 284.429 1.290 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000267107575 359349280 /nfs/dbraw/zinc/34/92/80/359349280.db2.gz WIROYUYCBZCUKP-MRXNPFEDSA-N 2 2 293.455 1.851 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000267107575 359349284 /nfs/dbraw/zinc/34/92/84/359349284.db2.gz WIROYUYCBZCUKP-MRXNPFEDSA-N 2 2 293.455 1.851 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000267107575 359349288 /nfs/dbraw/zinc/34/92/88/359349288.db2.gz WIROYUYCBZCUKP-MRXNPFEDSA-N 2 2 293.455 1.851 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000267107575 359349293 /nfs/dbraw/zinc/34/92/93/359349293.db2.gz WIROYUYCBZCUKP-MRXNPFEDSA-N 2 2 293.455 1.851 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000135690881 359911649 /nfs/dbraw/zinc/91/16/49/359911649.db2.gz LMMLZMKCKPHBHR-VXGBXAGGSA-N 2 2 277.393 1.573 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000135690881 359911652 /nfs/dbraw/zinc/91/16/52/359911652.db2.gz LMMLZMKCKPHBHR-VXGBXAGGSA-N 2 2 277.393 1.573 20 30 CDEDLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000337276763 360059228 /nfs/dbraw/zinc/05/92/28/360059228.db2.gz RCUDSKZYSDYTBI-INIZCTEOSA-N 2 2 292.427 1.213 20 30 CDEDLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000337276763 360059232 /nfs/dbraw/zinc/05/92/32/360059232.db2.gz RCUDSKZYSDYTBI-INIZCTEOSA-N 2 2 292.427 1.213 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000583572845 361029862 /nfs/dbraw/zinc/02/98/62/361029862.db2.gz CSDOZXMOYCACIN-IJEWVQPXSA-N 2 2 277.412 1.864 20 30 CDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000583572845 361029870 /nfs/dbraw/zinc/02/98/70/361029870.db2.gz CSDOZXMOYCACIN-IJEWVQPXSA-N 2 2 277.412 1.864 20 30 CDEDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000270651272 366916169 /nfs/dbraw/zinc/91/61/69/366916169.db2.gz MAQQSVWFJPLRKG-UHFFFAOYSA-N 2 2 295.390 1.885 20 30 CDEDLP N#Cc1ccnc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000271930005 367036708 /nfs/dbraw/zinc/03/67/08/367036708.db2.gz MEPYXBJGTUURCO-UHFFFAOYSA-N 2 2 296.378 1.362 20 30 CDEDLP C=CCN1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1=O ZINC000420367693 376336396 /nfs/dbraw/zinc/33/63/96/376336396.db2.gz NCRZYSDIZFFKKZ-UONOGXRCSA-N 2 2 265.401 1.271 20 30 CDEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000246104049 376385563 /nfs/dbraw/zinc/38/55/63/376385563.db2.gz CKHLFPDIXQYQSC-XJKSGUPXSA-N 2 2 292.427 1.068 20 30 CDEDLP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000246104049 376385570 /nfs/dbraw/zinc/38/55/70/376385570.db2.gz CKHLFPDIXQYQSC-XJKSGUPXSA-N 2 2 292.427 1.068 20 30 CDEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000246104049 376385577 /nfs/dbraw/zinc/38/55/77/376385577.db2.gz CKHLFPDIXQYQSC-XJKSGUPXSA-N 2 2 292.427 1.068 20 30 CDEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000246104049 376385583 /nfs/dbraw/zinc/38/55/83/376385583.db2.gz CKHLFPDIXQYQSC-XJKSGUPXSA-N 2 2 292.427 1.068 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000172936862 377790883 /nfs/dbraw/zinc/79/08/83/377790883.db2.gz WXQRDYYALYVDOX-KRWDZBQOSA-N 2 2 285.391 1.712 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442659619 378067577 /nfs/dbraw/zinc/06/75/77/378067577.db2.gz YKHMMDANXCMZPS-RBSFLKMASA-N 2 2 265.401 1.625 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442659619 378067583 /nfs/dbraw/zinc/06/75/83/378067583.db2.gz YKHMMDANXCMZPS-RBSFLKMASA-N 2 2 265.401 1.625 20 30 CDEDLP CC(C)CCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303791812 391134276 /nfs/dbraw/zinc/13/42/76/391134276.db2.gz XWKYPFKOPOVFOZ-UHFFFAOYSA-N 2 2 286.383 1.718 20 30 CDEDLP CCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303901548 391139368 /nfs/dbraw/zinc/13/93/68/391139368.db2.gz XLYGWRUXSWVTMK-UHFFFAOYSA-N 2 2 275.331 1.826 20 30 CDEDLP N#CC1(c2ccccn2)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000374305035 391157711 /nfs/dbraw/zinc/15/77/11/391157711.db2.gz FOCHBMRTIXHAJT-UHFFFAOYSA-N 2 2 281.363 1.835 20 30 CDEDLP C=C[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000362379633 391721852 /nfs/dbraw/zinc/72/18/52/391721852.db2.gz LXCWXCBWWMXVDU-CYBMUJFWSA-N 2 2 294.443 1.419 20 30 CDEDLP CN1CC[NH+]=C1NC[C@@H](c1cccs1)[NH+](C)C ZINC000262681236 391812035 /nfs/dbraw/zinc/81/20/35/391812035.db2.gz WEOMRQZHNRJMBJ-JTQLQIEISA-N 2 2 252.387 1.242 20 30 CDEDLP C=CCC1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000662888113 413659951 /nfs/dbraw/zinc/65/99/51/413659951.db2.gz FSJBCKCRTRWVDQ-LBPRGKRZSA-N 2 2 253.390 1.271 20 30 CDEDLP C=CCOc1ccc(C[NH2+][C@H](C)C[NH2+]C)cc1OC ZINC000663506658 414308239 /nfs/dbraw/zinc/30/82/39/414308239.db2.gz FOOFPRANRNELBK-GFCCVEGCSA-N 2 2 264.369 1.958 20 30 CDEDLP C=CCc1cc(C[NH2+][C@H](C)C[NH2+]C)cc(OC)c1O ZINC000663508415 414312450 /nfs/dbraw/zinc/31/24/50/414312450.db2.gz PUKFRSZSVUCUFW-LLVKDONJSA-N 2 2 264.369 1.827 20 30 CDEDLP C[NH+]=C(NCc1ccco1)NCC(C)(C)[NH+]1CCOCC1 ZINC000103337601 260611560 /nfs/dbraw/zinc/61/15/60/260611560.db2.gz MKJOKHATOQAQMB-UHFFFAOYSA-N 2 2 294.399 1.055 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337284042 262443974 /nfs/dbraw/zinc/44/39/74/262443974.db2.gz YQMXGRCVKBAQPA-ZDUSSCGKSA-N 2 2 253.390 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337284042 262443975 /nfs/dbraw/zinc/44/39/75/262443975.db2.gz YQMXGRCVKBAQPA-ZDUSSCGKSA-N 2 2 253.390 1.095 20 30 CDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCOCC1)c1cccc(F)c1 ZINC000264125694 262876635 /nfs/dbraw/zinc/87/66/35/262876635.db2.gz SFTLITDUVTUVDZ-AWEZNQCLSA-N 2 2 294.374 1.075 20 30 CDEDLP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341874619 263361063 /nfs/dbraw/zinc/36/10/63/263361063.db2.gz GZXNHJRTPUYTLU-MRXNPFEDSA-N 2 2 289.423 1.820 20 30 CDEDLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000330807570 264043591 /nfs/dbraw/zinc/04/35/91/264043591.db2.gz IFDNECDTBBXHSW-LBPRGKRZSA-N 2 2 292.383 1.173 20 30 CDEDLP C[C@H]1COCC[N@H+]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000330807570 264043592 /nfs/dbraw/zinc/04/35/92/264043592.db2.gz IFDNECDTBBXHSW-LBPRGKRZSA-N 2 2 292.383 1.173 20 30 CDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000133620526 289737244 /nfs/dbraw/zinc/73/72/44/289737244.db2.gz VXYWNWJKZWJCAQ-WWGRRREGSA-N 2 2 273.380 1.976 20 30 CDEDLP COc1cc(C#N)ccc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574711315 295042652 /nfs/dbraw/zinc/04/26/52/295042652.db2.gz DJCXIQFJNUCBEA-UHFFFAOYSA-N 2 2 297.362 1.612 20 30 CDEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])NC1CC1 ZINC000261754497 328141085 /nfs/dbraw/zinc/14/10/85/328141085.db2.gz KPKVHNYTKLHQGA-UHFFFAOYSA-N 2 2 270.340 1.142 20 30 CDEDLP CNC(NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C)=[NH+]C ZINC000264147229 328157535 /nfs/dbraw/zinc/15/75/35/328157535.db2.gz YDQDRBQYAMUMON-GFCCVEGCSA-N 2 2 294.399 1.101 20 30 CDEDLP Cn1c[nH+]cc1CCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000280660399 328236045 /nfs/dbraw/zinc/23/60/45/328236045.db2.gz SWELORIESXUBED-UHFFFAOYSA-N 2 2 291.399 1.047 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000491164672 332158778 /nfs/dbraw/zinc/15/87/78/332158778.db2.gz DIPMZHPGBWSAOO-LSDHHAIUSA-N 3 2 251.418 1.261 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000491164672 332158780 /nfs/dbraw/zinc/15/87/80/332158780.db2.gz DIPMZHPGBWSAOO-LSDHHAIUSA-N 3 2 251.418 1.261 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000491164672 332158782 /nfs/dbraw/zinc/15/87/82/332158782.db2.gz DIPMZHPGBWSAOO-LSDHHAIUSA-N 3 2 251.418 1.261 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000378429546 329050030 /nfs/dbraw/zinc/05/00/30/329050030.db2.gz MCWMRNFGCNUKFF-CYBMUJFWSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000378429546 329050031 /nfs/dbraw/zinc/05/00/31/329050031.db2.gz MCWMRNFGCNUKFF-CYBMUJFWSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422857960 330157902 /nfs/dbraw/zinc/15/79/02/330157902.db2.gz HUWMJQXIQMDZGK-UKRRQHHQSA-N 3 2 251.418 1.615 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422983119 330162706 /nfs/dbraw/zinc/16/27/06/330162706.db2.gz YNQAGVAFNMDBLH-XYPWUTKMSA-N 3 2 263.429 1.900 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C[C@H](C)CC)CC1 ZINC000490739021 332109993 /nfs/dbraw/zinc/10/99/93/332109993.db2.gz AIXZQEQHQCSESV-OAHLLOKOSA-N 2 2 279.428 1.132 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C[C@H](C)CC)CC1 ZINC000490739021 332109994 /nfs/dbraw/zinc/10/99/94/332109994.db2.gz AIXZQEQHQCSESV-OAHLLOKOSA-N 2 2 279.428 1.132 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C2CC2)C2CCCC2)CC1 ZINC000490780271 332115241 /nfs/dbraw/zinc/11/52/41/332115241.db2.gz IUHOQOSCSPUGNV-UHFFFAOYSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C2CC2)C2CCCC2)CC1 ZINC000490780271 332115243 /nfs/dbraw/zinc/11/52/43/332115243.db2.gz IUHOQOSCSPUGNV-UHFFFAOYSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC000491667621 332275820 /nfs/dbraw/zinc/27/58/20/332275820.db2.gz LOZAAWORYLHNEI-KRWDZBQOSA-N 2 2 299.418 1.505 20 30 CDEDLP C=CCc1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc(OC)c1O ZINC000666945480 483214166 /nfs/dbraw/zinc/21/41/66/483214166.db2.gz SGGMWHNCWLEHOM-KBPBESRZSA-N 2 2 294.370 1.919 20 30 CDEDLP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000329005451 527811657 /nfs/dbraw/zinc/81/16/57/527811657.db2.gz XGRARDXTRLOEQU-CHWSQXEVSA-N 2 2 276.384 1.744 20 30 CDEDLP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000329005451 527811660 /nfs/dbraw/zinc/81/16/60/527811660.db2.gz XGRARDXTRLOEQU-CHWSQXEVSA-N 2 2 276.384 1.744 20 30 CDEDLP C[C@H](C[NH+]=C([O-])N1CCn2cc[nH+]c2C1)C[NH+]1CCCC1 ZINC000329466946 538571695 /nfs/dbraw/zinc/57/16/95/538571695.db2.gz VVTYLJNAJYELMC-CYBMUJFWSA-N 2 2 291.399 1.345 20 30 CDEDLP NC(=[NH+]OCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000766683081 576121563 /nfs/dbraw/zinc/12/15/63/576121563.db2.gz ARXJMRUZXGDPFB-UHFFFAOYSA-N 2 2 265.332 1.949 20 30 CDEDLP CCCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000754280291 576890020 /nfs/dbraw/zinc/89/00/20/576890020.db2.gz MCCYWVVXXWWSDD-UHFFFAOYSA-N 2 2 277.368 1.566 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944445194 613017163 /nfs/dbraw/zinc/01/71/63/613017163.db2.gz NAFXAHBFIKZDBP-GXTWGEPZSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944445194 613017164 /nfs/dbraw/zinc/01/71/64/613017164.db2.gz NAFXAHBFIKZDBP-GXTWGEPZSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000972448910 613081272 /nfs/dbraw/zinc/08/12/72/613081272.db2.gz FPNWCWNMLOACAB-UONOGXRCSA-N 2 2 274.368 1.000 20 30 CDEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000972448910 613081274 /nfs/dbraw/zinc/08/12/74/613081274.db2.gz FPNWCWNMLOACAB-UONOGXRCSA-N 2 2 274.368 1.000 20 30 CDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982033650 613252892 /nfs/dbraw/zinc/25/28/92/613252892.db2.gz RGVMIURSCWMPSU-UHFFFAOYSA-N 2 2 276.384 1.453 20 30 CDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982033650 613252894 /nfs/dbraw/zinc/25/28/94/613252894.db2.gz RGVMIURSCWMPSU-UHFFFAOYSA-N 2 2 276.384 1.453 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962408045 613279526 /nfs/dbraw/zinc/27/95/26/613279526.db2.gz RKHSSNHCLGWJGM-VIKVFOODSA-N 2 2 288.395 1.273 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962408045 613279527 /nfs/dbraw/zinc/27/95/27/613279527.db2.gz RKHSSNHCLGWJGM-VIKVFOODSA-N 2 2 288.395 1.273 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972424836 613284190 /nfs/dbraw/zinc/28/41/90/613284190.db2.gz DEULCTCZCDUNEZ-CYBMUJFWSA-N 2 2 262.357 1.061 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972424836 613284191 /nfs/dbraw/zinc/28/41/91/613284191.db2.gz DEULCTCZCDUNEZ-CYBMUJFWSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971817723 613634055 /nfs/dbraw/zinc/63/40/55/613634055.db2.gz JGYUQIXJXAGURQ-ZFWWWQNUSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971817723 613634057 /nfs/dbraw/zinc/63/40/57/613634057.db2.gz JGYUQIXJXAGURQ-ZFWWWQNUSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000957325134 613711211 /nfs/dbraw/zinc/71/12/11/613711211.db2.gz HTYGGLBEWFEHQH-HUUCEWRRSA-N 2 2 279.428 1.437 20 30 CDEDLP CN1CC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000903322372 625967677 /nfs/dbraw/zinc/96/76/77/625967677.db2.gz MOYUSNCHKTUZRY-GOSISDBHSA-N 2 2 298.434 1.816 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000923598465 631977366 /nfs/dbraw/zinc/97/73/66/631977366.db2.gz UQZNCYCJBVVPDX-HNNXBMFYSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000923598465 631977376 /nfs/dbraw/zinc/97/73/76/631977376.db2.gz UQZNCYCJBVVPDX-HNNXBMFYSA-N 2 2 291.439 1.465 20 30 CDEDLP CC(=[NH+]N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000916606252 632034098 /nfs/dbraw/zinc/03/40/98/632034098.db2.gz ACTKRJZVBDXDDY-UHFFFAOYSA-N 2 2 260.385 1.724 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130406983 1162619147 /nfs/dbraw/zinc/61/91/47/1162619147.db2.gz IVVLKYWEOTUNNF-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000989179387 1160668416 /nfs/dbraw/zinc/66/84/16/1160668416.db2.gz FODQPZZOAGHAQT-CHWSQXEVSA-N 2 2 282.347 1.160 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014941084 1166930392 /nfs/dbraw/zinc/93/03/92/1166930392.db2.gz NDRGYIYAYZHDGB-CYBMUJFWSA-N 2 2 284.363 1.943 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014941084 1166930398 /nfs/dbraw/zinc/93/03/98/1166930398.db2.gz NDRGYIYAYZHDGB-CYBMUJFWSA-N 2 2 284.363 1.943 20 30 CDEDLP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001752881984 1184949488 /nfs/dbraw/zinc/94/94/88/1184949488.db2.gz LHNOLBDNORWDGQ-UONOGXRCSA-N 2 2 290.411 1.506 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001753899443 1185386009 /nfs/dbraw/zinc/38/60/09/1185386009.db2.gz KMGYPVHYEILACN-RYUDHWBXSA-N 2 2 262.357 1.013 20 30 CDEDLP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001754232557 1185521034 /nfs/dbraw/zinc/52/10/34/1185521034.db2.gz YXJNMSUYVDRDNY-ZIAGYGMSSA-N 2 2 290.411 1.506 20 30 CDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001754583425 1185674500 /nfs/dbraw/zinc/67/45/00/1185674500.db2.gz XEKPYADVALOJGD-CQSZACIVSA-N 2 2 290.411 1.943 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001754617138 1185684715 /nfs/dbraw/zinc/68/47/15/1185684715.db2.gz FJRDVEVKQAWLIM-OCCSQVGLSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001754617138 1185684717 /nfs/dbraw/zinc/68/47/17/1185684717.db2.gz FJRDVEVKQAWLIM-OCCSQVGLSA-N 2 2 276.384 1.355 20 30 CDEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755564799 1185992587 /nfs/dbraw/zinc/99/25/87/1185992587.db2.gz XOMMCQVUXBGIBN-OAHLLOKOSA-N 2 2 296.374 1.408 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089006129 912470218 /nfs/dbraw/zinc/47/02/18/912470218.db2.gz ORUYQAOZIHGCHB-KGLIPLIRSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089006129 912470232 /nfs/dbraw/zinc/47/02/32/912470232.db2.gz ORUYQAOZIHGCHB-KGLIPLIRSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089073917 912577854 /nfs/dbraw/zinc/57/78/54/912577854.db2.gz KQBVSUMPHHZSQZ-OLZOCXBDSA-N 2 2 262.357 1.038 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089073917 912577841 /nfs/dbraw/zinc/57/78/41/912577841.db2.gz KQBVSUMPHHZSQZ-OLZOCXBDSA-N 2 2 262.357 1.038 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174580216 913221460 /nfs/dbraw/zinc/22/14/60/913221460.db2.gz IFNWXVQLXCIQQG-CQSZACIVSA-N 2 2 276.384 1.171 20 30 CDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104908707 899661316 /nfs/dbraw/zinc/66/13/16/899661316.db2.gz ICUSXRYZUBYKRE-ZIAGYGMSSA-N 2 2 290.411 1.223 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001088418675 907138127 /nfs/dbraw/zinc/13/81/27/907138127.db2.gz WCNLPIWNNVHMES-CQSZACIVSA-N 2 2 290.411 1.807 20 30 CDEDLP C#CCC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001203337578 911021608 /nfs/dbraw/zinc/02/16/08/911021608.db2.gz LVGIAABZGQMXNW-UHFFFAOYSA-N 2 2 288.395 1.291 20 30 CDEDLP CC[NH+](CC)C1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001173110730 912172522 /nfs/dbraw/zinc/17/25/22/912172522.db2.gz VNRBHJFKZAMMDL-YMAMQOFZSA-N 2 2 264.417 1.437 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001095021926 912200535 /nfs/dbraw/zinc/20/05/35/912200535.db2.gz KWTISACVGFFLES-AVGNSLFASA-N 2 2 274.368 1.107 20 30 CDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178853454 915664278 /nfs/dbraw/zinc/66/42/78/915664278.db2.gz SLCWLDSKIJVGFR-JSGCOSHPSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178853454 915664286 /nfs/dbraw/zinc/66/42/86/915664286.db2.gz SLCWLDSKIJVGFR-JSGCOSHPSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001181680483 917280967 /nfs/dbraw/zinc/28/09/67/917280967.db2.gz YULMEWZRKNGRCK-CZUORRHYSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001181680483 917280981 /nfs/dbraw/zinc/28/09/81/917280981.db2.gz YULMEWZRKNGRCK-CZUORRHYSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001183044041 918267070 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C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085700604 926298037 /nfs/dbraw/zinc/29/80/37/926298037.db2.gz SNVGNTHLIURQAT-CQSZACIVSA-N 2 2 284.363 1.667 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085700604 926298046 /nfs/dbraw/zinc/29/80/46/926298046.db2.gz SNVGNTHLIURQAT-CQSZACIVSA-N 2 2 284.363 1.667 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085986870 926566322 /nfs/dbraw/zinc/56/63/22/926566322.db2.gz OOYIRDLVTRQWCG-LSDHHAIUSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001085986870 926566341 /nfs/dbraw/zinc/56/63/41/926566341.db2.gz OOYIRDLVTRQWCG-LSDHHAIUSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001085986870 926566351 /nfs/dbraw/zinc/56/63/51/926566351.db2.gz OOYIRDLVTRQWCG-LSDHHAIUSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521936 926891852 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C#CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001275975750 932189749 /nfs/dbraw/zinc/18/97/49/932189749.db2.gz NJXKPRJTATYSOC-HOTGVXAUSA-N 2 2 272.396 1.445 20 30 CDEDLP C#CCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001275975750 932189755 /nfs/dbraw/zinc/18/97/55/932189755.db2.gz NJXKPRJTATYSOC-HOTGVXAUSA-N 2 2 272.396 1.445 20 30 CDEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148350477 932695464 /nfs/dbraw/zinc/69/54/64/932695464.db2.gz ABYVEFXJXRFAQO-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537380 938738527 /nfs/dbraw/zinc/73/85/27/938738527.db2.gz WRDOJKJPADGWRW-UHFFFAOYSA-N 2 2 264.373 1.404 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537380 938738529 /nfs/dbraw/zinc/73/85/29/938738529.db2.gz WRDOJKJPADGWRW-UHFFFAOYSA-N 2 2 264.373 1.404 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160820044 938829007 /nfs/dbraw/zinc/82/90/07/938829007.db2.gz BFPIARWNRVKOBT-UHFFFAOYSA-N 2 2 264.373 1.209 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160820095 938829536 /nfs/dbraw/zinc/82/95/36/938829536.db2.gz CERMVQKBXMUWSN-UHFFFAOYSA-N 2 2 298.818 1.775 20 30 CDEDLP C=CC[N@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161328129 938889763 /nfs/dbraw/zinc/88/97/63/938889763.db2.gz KILGRAFBYQEWGX-UHFFFAOYSA-N 2 2 274.368 1.277 20 30 CDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161328129 938889765 /nfs/dbraw/zinc/88/97/65/938889765.db2.gz KILGRAFBYQEWGX-UHFFFAOYSA-N 2 2 274.368 1.277 20 30 CDEDLP C=CCc1cc(C)c[nH+]c1N[C@H]1COCCC12C[NH2+]C2 ZINC001163070053 939189742 /nfs/dbraw/zinc/18/97/42/939189742.db2.gz TXTOZNDLOYVLRD-AWEZNQCLSA-N 2 2 273.380 1.909 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ccc(C#N)cn1)CC[NH2+]CC2 ZINC001165352411 939550285 /nfs/dbraw/zinc/55/02/85/939550285.db2.gz SNOZKFMYMCELKC-UHFFFAOYSA-N 2 2 253.309 1.136 20 30 CDEDLP C#CC[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521931 939896066 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1.552 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208996350 940420698 /nfs/dbraw/zinc/42/06/98/940420698.db2.gz VYWUYGPLQCPWMR-QLFBSQMISA-N 2 2 290.411 1.847 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208996350 940420700 /nfs/dbraw/zinc/42/07/00/940420700.db2.gz VYWUYGPLQCPWMR-QLFBSQMISA-N 2 2 290.411 1.847 20 30 CDEDLP C[N@H+](Cc1ccc(C#N)cc1)Cc1c[nH+]ccc1N ZINC001209729775 940631143 /nfs/dbraw/zinc/63/11/43/940631143.db2.gz BBQWGPHPGGUXCR-UHFFFAOYSA-N 2 2 252.321 1.998 20 30 CDEDLP C[N@@H+](Cc1ccc(C#N)cc1)Cc1c[nH+]ccc1N ZINC001209729775 940631144 /nfs/dbraw/zinc/63/11/44/940631144.db2.gz BBQWGPHPGGUXCR-UHFFFAOYSA-N 2 2 252.321 1.998 20 30 CDEDLP C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000402356932 940894973 /nfs/dbraw/zinc/89/49/73/940894973.db2.gz UNJFQZHJXDMZOW-DAXOMENPSA-N 2 2 273.380 1.651 20 30 CDEDLP C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000402356932 940894975 /nfs/dbraw/zinc/89/49/75/940894975.db2.gz UNJFQZHJXDMZOW-DAXOMENPSA-N 2 2 273.380 1.651 20 30 CDEDLP Cc1cc(C#N)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)s1 ZINC001218556369 941235826 /nfs/dbraw/zinc/23/58/26/941235826.db2.gz ZNFKASYIHDHHNA-BREBYQMCSA-N 2 2 276.365 1.089 20 30 CDEDLP CC(C)(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc(C#N)cc1 ZINC001219986747 941402193 /nfs/dbraw/zinc/40/21/93/941402193.db2.gz HJFWRWRSRDTMMW-CQSZACIVSA-N 2 2 297.362 1.203 20 30 CDEDLP C#Cc1ccc(NCC[NH+]2CCC([NH+](C)C)CC2)nc1 ZINC001262685993 943669501 /nfs/dbraw/zinc/66/95/01/943669501.db2.gz VFRGZNBWVFRRRO-UHFFFAOYSA-N 2 2 272.396 1.501 20 30 CDEDLP N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246562168 948279444 /nfs/dbraw/zinc/27/94/44/948279444.db2.gz YWLQEVGSOHVOTI-JCCCHCCOSA-N 2 2 285.391 1.394 20 30 CDEDLP N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246562168 948279452 /nfs/dbraw/zinc/27/94/52/948279452.db2.gz YWLQEVGSOHVOTI-JCCCHCCOSA-N 2 2 285.391 1.394 20 30 CDEDLP N#CC1CCC(n2c[nH+]cc2CCNC(=O)CC[NH3+])CC1 ZINC001256959752 948463522 /nfs/dbraw/zinc/46/35/22/948463522.db2.gz SHTHXCDNDPOHRQ-UHFFFAOYSA-N 2 2 289.383 1.145 20 30 CDEDLP C=CCC[C@@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001252618409 951511898 /nfs/dbraw/zinc/51/18/98/951511898.db2.gz USUJPLBGTVSYCQ-OAHLLOKOSA-N 2 2 275.396 1.967 20 30 CDEDLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(C#N)c1 ZINC001492429877 955879858 /nfs/dbraw/zinc/87/98/58/955879858.db2.gz AYWSWQSDKYUMPY-UHFFFAOYSA-N 2 2 297.362 1.072 20 30 CDEDLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(C#N)c1 ZINC001492429877 955879870 /nfs/dbraw/zinc/87/98/70/955879870.db2.gz AYWSWQSDKYUMPY-UHFFFAOYSA-N 2 2 297.362 1.072 20 30 CDEDLP C=C[C@@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001329941202 956191845 /nfs/dbraw/zinc/19/18/45/956191845.db2.gz NTSVEQPWNYNWMM-GXTWGEPZSA-N 2 2 254.374 1.030 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001366528482 956925417 /nfs/dbraw/zinc/92/54/17/956925417.db2.gz QTGRZTYSMUMNKR-VXGBXAGGSA-N 2 2 273.808 1.127 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001366528482 956925425 /nfs/dbraw/zinc/92/54/25/956925425.db2.gz QTGRZTYSMUMNKR-VXGBXAGGSA-N 2 2 273.808 1.127 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001366528482 956925439 /nfs/dbraw/zinc/92/54/39/956925439.db2.gz QTGRZTYSMUMNKR-VXGBXAGGSA-N 2 2 273.808 1.127 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001366528482 956925449 /nfs/dbraw/zinc/92/54/49/956925449.db2.gz QTGRZTYSMUMNKR-VXGBXAGGSA-N 2 2 273.808 1.127 20 30 CDEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001353245049 967818050 /nfs/dbraw/zinc/81/80/50/967818050.db2.gz BZYAFZGFUHIBEV-STQMWFEESA-N 2 2 253.390 1.361 20 30 CDEDLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001353245049 967818063 /nfs/dbraw/zinc/81/80/63/967818063.db2.gz BZYAFZGFUHIBEV-STQMWFEESA-N 2 2 253.390 1.361 20 30 CDEDLP CC#CC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001100716990 969005701 /nfs/dbraw/zinc/00/57/01/969005701.db2.gz ZDBMZPDXTMGKRY-NFOMZHRRSA-N 2 2 288.395 1.342 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001380283159 976331045 /nfs/dbraw/zinc/33/10/45/976331045.db2.gz YUVFEIGRVRZGKC-ZDUSSCGKSA-N 2 2 296.802 1.606 20 30 CDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222203 1163201826 /nfs/dbraw/zinc/20/18/26/1163201826.db2.gz VFIPVPUPOZCHGL-HUUCEWRRSA-N 2 2 288.395 1.266 20 30 CDEDLP CC#CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222203 1163201835 /nfs/dbraw/zinc/20/18/35/1163201835.db2.gz VFIPVPUPOZCHGL-HUUCEWRRSA-N 2 2 288.395 1.266 20 30 CDEDLP COCC[NH2+]CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591578185 342637853 /nfs/dbraw/zinc/63/78/53/342637853.db2.gz MWCGSQZZXZAPQI-MRXNPFEDSA-N 2 2 273.380 1.761 20 30 CDEDLP N#CCSCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595470774 343072678 /nfs/dbraw/zinc/07/26/78/343072678.db2.gz SEZFACDERJLYHL-OAHLLOKOSA-N 2 2 297.468 1.820 20 30 CDEDLP N#CCSCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595470774 343072679 /nfs/dbraw/zinc/07/26/79/343072679.db2.gz SEZFACDERJLYHL-OAHLLOKOSA-N 2 2 297.468 1.820 20 30 CDEDLP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C[NH+]1CCOCC1 ZINC000442796873 362092442 /nfs/dbraw/zinc/09/24/42/362092442.db2.gz WHOSMGWMUKFERO-HZSPNIEDSA-N 2 2 251.374 1.237 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598724142 343885240 /nfs/dbraw/zinc/88/52/40/343885240.db2.gz IVONPBKAJWSGRY-XBFCOCLRSA-N 2 2 265.401 1.359 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598724142 343885242 /nfs/dbraw/zinc/88/52/42/343885242.db2.gz IVONPBKAJWSGRY-XBFCOCLRSA-N 2 2 265.401 1.359 20 30 CDEDLP CC(C)[C@H](C#N)N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000611431826 346782359 /nfs/dbraw/zinc/78/23/59/346782359.db2.gz CLSMXIDJTKZATD-HOTGVXAUSA-N 2 2 278.444 1.636 20 30 CDEDLP CC(C)[C@H](C#N)N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000611431826 346782361 /nfs/dbraw/zinc/78/23/61/346782361.db2.gz CLSMXIDJTKZATD-HOTGVXAUSA-N 2 2 278.444 1.636 20 30 CDEDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(C#N)n2)CCCO1 ZINC000602635483 350134427 /nfs/dbraw/zinc/13/44/27/350134427.db2.gz ZBMLGGNDAQAQIL-AWEZNQCLSA-N 2 2 288.395 1.544 20 30 CDEDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C#N)n2)CCCO1 ZINC000602635483 350134430 /nfs/dbraw/zinc/13/44/30/350134430.db2.gz ZBMLGGNDAQAQIL-AWEZNQCLSA-N 2 2 288.395 1.544 20 30 CDEDLP Cc1cc(C)cc(NC(=[NH2+])NCCn2cc[nH+]c2)c1 ZINC000264094936 362965990 /nfs/dbraw/zinc/96/59/90/362965990.db2.gz LUDDMAGYHVJJAO-UHFFFAOYSA-N 2 2 257.341 1.927 20 30 CDEDLP C=CCC[C@H](CC)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085183 351411072 /nfs/dbraw/zinc/41/10/72/351411072.db2.gz DGSODCQQJMPGAZ-KBPBESRZSA-N 2 2 267.417 1.661 20 30 CDEDLP C=CCC[C@H](CC)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085183 351411077 /nfs/dbraw/zinc/41/10/77/351411077.db2.gz DGSODCQQJMPGAZ-KBPBESRZSA-N 2 2 267.417 1.661 20 30 CDEDLP N#Cc1ccc(O[C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000292150955 198181862 /nfs/dbraw/zinc/18/18/62/198181862.db2.gz KDJXHFCRHLBMFN-CQSZACIVSA-N 2 2 283.335 1.303 20 30 CDEDLP N#Cc1ccc(O[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000292150955 198181864 /nfs/dbraw/zinc/18/18/64/198181864.db2.gz KDJXHFCRHLBMFN-CQSZACIVSA-N 2 2 283.335 1.303 20 30 CDEDLP CSc1ccc(C[NH2+][C@@H](C)[C@@H]2C[NH2+]CCO2)cc1C#N ZINC001579387853 1172164327 /nfs/dbraw/zinc/16/43/27/1172164327.db2.gz HGXYNMJOKKQNBY-FZMZJTMJSA-N 2 2 291.420 1.747 20 30 CDEDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000569501149 358519016 /nfs/dbraw/zinc/51/90/16/358519016.db2.gz MJVUVLDWXQBWHS-UONOGXRCSA-N 2 2 265.401 1.504 20 30 CDEDLP C[NH+](C)C1CC[NH+](CCNc2ccnc(C#N)c2)CC1 ZINC000287984574 359146586 /nfs/dbraw/zinc/14/65/86/359146586.db2.gz ARQIXCORWZFQCG-UHFFFAOYSA-N 2 2 273.384 1.391 20 30 CDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CCC#N)c2cc1C ZINC000304860159 370798995 /nfs/dbraw/zinc/79/89/95/370798995.db2.gz ZXRJTYDXPJMZPH-AWEZNQCLSA-N 2 2 286.379 1.860 20 30 CDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CCC#N)c2cc1C ZINC000304860159 370798998 /nfs/dbraw/zinc/79/89/98/370798998.db2.gz ZXRJTYDXPJMZPH-AWEZNQCLSA-N 2 2 286.379 1.860 20 30 CDEDLP N#CCC[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000567679976 371095204 /nfs/dbraw/zinc/09/52/04/371095204.db2.gz LMUMYJWYWLCJQP-UHFFFAOYSA-N 2 2 254.337 1.977 20 30 CDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@H](C#N)CCC#N ZINC000180929560 372449747 /nfs/dbraw/zinc/44/97/47/372449747.db2.gz NJENPMUOFOGTLT-HNNXBMFYSA-N 2 2 291.443 1.388 20 30 CDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@H](C#N)CCC#N ZINC000180929560 372449760 /nfs/dbraw/zinc/44/97/60/372449760.db2.gz NJENPMUOFOGTLT-HNNXBMFYSA-N 2 2 291.443 1.388 20 30 CDEDLP C[N@@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])CCCC#N)sc2C1 ZINC000579831330 372641696 /nfs/dbraw/zinc/64/16/96/372641696.db2.gz QWRSXFPGWBDDSC-VIFPVBQESA-N 2 2 293.396 1.091 20 30 CDEDLP C[N@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])CCCC#N)sc2C1 ZINC000579831330 372641702 /nfs/dbraw/zinc/64/17/02/372641702.db2.gz QWRSXFPGWBDDSC-VIFPVBQESA-N 2 2 293.396 1.091 20 30 CDEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(C#N)c1 ZINC000076898712 374235304 /nfs/dbraw/zinc/23/53/04/374235304.db2.gz GXZZLCGHMAZUJJ-CQSZACIVSA-N 2 2 273.380 1.759 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](CCC[NH3+])Cc2ccccc2)C1=O ZINC000420305978 376325543 /nfs/dbraw/zinc/32/55/43/376325543.db2.gz HEBAPFAOIBYBCM-INIZCTEOSA-N 2 2 287.407 1.624 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](CCC[NH3+])Cc2ccccc2)C1=O ZINC000420305978 376325545 /nfs/dbraw/zinc/32/55/45/376325545.db2.gz HEBAPFAOIBYBCM-INIZCTEOSA-N 2 2 287.407 1.624 20 30 CDEDLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000265207756 190166483 /nfs/dbraw/zinc/16/64/83/190166483.db2.gz LGUACKFYNLTIRL-UHFFFAOYSA-N 2 2 287.407 1.837 20 30 CDEDLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000265207756 190166484 /nfs/dbraw/zinc/16/64/84/190166484.db2.gz LGUACKFYNLTIRL-UHFFFAOYSA-N 2 2 287.407 1.837 20 30 CDEDLP CCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303772178 391132071 /nfs/dbraw/zinc/13/20/71/391132071.db2.gz DHYAVQLQLJYHDS-UHFFFAOYSA-N 2 2 272.356 1.472 20 30 CDEDLP C[C@@H]1C[NH+]=C(NC[C@@H](c2ccsc2)[NH+](C)C)N1 ZINC000262680710 391811956 /nfs/dbraw/zinc/81/19/56/391811956.db2.gz WAKNYRCKIBQIGO-KOLCDFICSA-N 2 2 252.387 1.288 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1C#N ZINC000335836257 151061004 /nfs/dbraw/zinc/06/10/04/151061004.db2.gz FGOIAEPUFRILNO-HIFRSBDPSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1C#N ZINC000335836257 151061006 /nfs/dbraw/zinc/06/10/06/151061006.db2.gz FGOIAEPUFRILNO-HIFRSBDPSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1C#N ZINC000335836257 151061007 /nfs/dbraw/zinc/06/10/07/151061007.db2.gz FGOIAEPUFRILNO-HIFRSBDPSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1C#N ZINC000335836257 151061008 /nfs/dbraw/zinc/06/10/08/151061008.db2.gz FGOIAEPUFRILNO-HIFRSBDPSA-N 2 2 258.369 1.423 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000103492704 261284515 /nfs/dbraw/zinc/28/45/15/261284515.db2.gz WWNWNINDILOOJD-UHFFFAOYSA-N 2 2 253.390 1.049 20 30 CDEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccs1 ZINC000163249260 262394780 /nfs/dbraw/zinc/39/47/80/262394780.db2.gz KYDJOOSUVAOYOQ-UHFFFAOYSA-N 2 2 293.436 1.510 20 30 CDEDLP C=CC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccs1 ZINC000163249260 262394782 /nfs/dbraw/zinc/39/47/82/262394782.db2.gz KYDJOOSUVAOYOQ-UHFFFAOYSA-N 2 2 293.436 1.510 20 30 CDEDLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418136606 267369225 /nfs/dbraw/zinc/36/92/25/267369225.db2.gz CRMGAYLSTFQMOZ-UHFFFAOYSA-N 2 2 293.411 1.687 20 30 CDEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353429220 290036137 /nfs/dbraw/zinc/03/61/37/290036137.db2.gz TUEJTXNIZZZWJJ-NVXWUHKLSA-N 2 2 284.407 1.381 20 30 CDEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353429220 290036138 /nfs/dbraw/zinc/03/61/38/290036138.db2.gz TUEJTXNIZZZWJJ-NVXWUHKLSA-N 2 2 284.407 1.381 20 30 CDEDLP Cc1cc(NC2CCN(c3[nH+]ccn3C)CC2)c(C#N)c[nH+]1 ZINC000575384299 316992598 /nfs/dbraw/zinc/99/25/98/316992598.db2.gz UIGZSAHREMYLFX-UHFFFAOYSA-N 2 2 296.378 1.498 20 30 CDEDLP Cn1c[nH+]cc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262321473 330005978 /nfs/dbraw/zinc/00/59/78/330005978.db2.gz SALXKEJMRQGGQW-ZDUSSCGKSA-N 2 2 285.351 1.348 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000491041197 332142182 /nfs/dbraw/zinc/14/21/82/332142182.db2.gz YAVCSVVSJPXJNZ-OAHLLOKOSA-N 2 2 291.439 1.322 20 30 CDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCC#N)c2cc1C ZINC000576937649 335266351 /nfs/dbraw/zinc/26/63/51/335266351.db2.gz CZMCFEAIXVODLC-AWEZNQCLSA-N 2 2 286.379 1.907 20 30 CDEDLP C=CCCn1cc(C[NH2+]CCCCn2cc[nH+]c2)nn1 ZINC000657324346 482852233 /nfs/dbraw/zinc/85/22/33/482852233.db2.gz ZDHAPEYRGLLDKB-UHFFFAOYSA-N 2 2 274.372 1.621 20 30 CDEDLP C=C(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681660631 482950517 /nfs/dbraw/zinc/95/05/17/482950517.db2.gz ORANOHUCRYOFAP-CYBMUJFWSA-N 2 2 280.416 1.030 20 30 CDEDLP C=C(C)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681660631 482950518 /nfs/dbraw/zinc/95/05/18/482950518.db2.gz ORANOHUCRYOFAP-CYBMUJFWSA-N 2 2 280.416 1.030 20 30 CDEDLP C=CCCn1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)nn1 ZINC000668172797 483105745 /nfs/dbraw/zinc/10/57/45/483105745.db2.gz UKMAHQDULNARTP-GDBMZVCRSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nn1 ZINC000668172797 483105748 /nfs/dbraw/zinc/10/57/48/483105748.db2.gz UKMAHQDULNARTP-GDBMZVCRSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)nn1 ZINC000668172797 483105751 /nfs/dbraw/zinc/10/57/51/483105751.db2.gz UKMAHQDULNARTP-GDBMZVCRSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)nn1 ZINC000668172797 483105755 /nfs/dbraw/zinc/10/57/55/483105755.db2.gz UKMAHQDULNARTP-GDBMZVCRSA-N 2 2 289.427 1.770 20 30 CDEDLP C=C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674934001 483193985 /nfs/dbraw/zinc/19/39/85/483193985.db2.gz OMKZPKSLPCAOIM-CHWSQXEVSA-N 2 2 280.416 1.029 20 30 CDEDLP C=C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674934001 483193989 /nfs/dbraw/zinc/19/39/89/483193989.db2.gz OMKZPKSLPCAOIM-CHWSQXEVSA-N 2 2 280.416 1.029 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC)[C@@H]1C ZINC001088631902 1160668287 /nfs/dbraw/zinc/66/82/87/1160668287.db2.gz MMIDGCIWUTXIRQ-ILXRZTDVSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC)[C@@H]1C ZINC001088631902 1160668289 /nfs/dbraw/zinc/66/82/89/1160668289.db2.gz MMIDGCIWUTXIRQ-ILXRZTDVSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC)[C@@H]1C ZINC001088631902 1160668290 /nfs/dbraw/zinc/66/82/90/1160668290.db2.gz MMIDGCIWUTXIRQ-ILXRZTDVSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC)[C@@H]1C ZINC001088631902 1160668292 /nfs/dbraw/zinc/66/82/92/1160668292.db2.gz MMIDGCIWUTXIRQ-ILXRZTDVSA-N 2 2 277.412 1.073 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000106326790 526591067 /nfs/dbraw/zinc/59/10/67/526591067.db2.gz TURIGZSDOSBUBZ-UHFFFAOYSA-N 2 2 291.399 1.223 20 30 CDEDLP C#CCCC[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000766921196 576146506 /nfs/dbraw/zinc/14/65/06/576146506.db2.gz ROBHXNGMCDYPFQ-UHFFFAOYSA-N 2 2 265.426 1.899 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CC)CC2)CC1 ZINC000748815917 576926933 /nfs/dbraw/zinc/92/69/33/576926933.db2.gz AKIHNSSDBVIZHQ-MRXNPFEDSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC)CC2)CC1 ZINC000748815917 576926935 /nfs/dbraw/zinc/92/69/35/576926935.db2.gz AKIHNSSDBVIZHQ-MRXNPFEDSA-N 2 2 291.439 1.276 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000950096845 613294635 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JCHNFIYKDZZYKA-ZDUSSCGKSA-N 2 2 276.384 1.309 20 30 CDEDLP C=CCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320373 1185576268 /nfs/dbraw/zinc/57/62/68/1185576268.db2.gz SONXWDNYSAQJLP-ZDUSSCGKSA-N 2 2 286.379 1.961 20 30 CDEDLP C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320373 1185576275 /nfs/dbraw/zinc/57/62/75/1185576275.db2.gz SONXWDNYSAQJLP-ZDUSSCGKSA-N 2 2 286.379 1.961 20 30 CDEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001755202710 1185852353 /nfs/dbraw/zinc/85/23/53/1185852353.db2.gz KLMCMYYRFVLQIL-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001755202710 1185852361 /nfs/dbraw/zinc/85/23/61/1185852361.db2.gz KLMCMYYRFVLQIL-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C=CC[NH+]1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC001165033367 721864149 /nfs/dbraw/zinc/86/41/49/721864149.db2.gz LFLSYXFQDHLUGB-UHFFFAOYSA-N 2 2 287.411 1.693 20 30 CDEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470194 1167183506 /nfs/dbraw/zinc/18/35/06/1167183506.db2.gz NXLDNIWOFBMQJB-CYBMUJFWSA-N 2 2 278.400 1.745 20 30 CDEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470194 1167183509 /nfs/dbraw/zinc/18/35/09/1167183509.db2.gz NXLDNIWOFBMQJB-CYBMUJFWSA-N 2 2 278.400 1.745 20 30 CDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829808 914281545 /nfs/dbraw/zinc/28/15/45/914281545.db2.gz QLWCPBDHRILDRZ-AWEZNQCLSA-N 2 2 276.384 1.171 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001267732543 899429147 /nfs/dbraw/zinc/42/91/47/899429147.db2.gz SZQYBVJPHMYDCP-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001267732543 899429153 /nfs/dbraw/zinc/42/91/53/899429153.db2.gz SZQYBVJPHMYDCP-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC001088823143 909660718 /nfs/dbraw/zinc/66/07/18/909660718.db2.gz YFAIYPFZUZDTDD-OCCSQVGLSA-N 2 2 289.379 1.167 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC001088823143 909660730 /nfs/dbraw/zinc/66/07/30/909660730.db2.gz YFAIYPFZUZDTDD-OCCSQVGLSA-N 2 2 289.379 1.167 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875181 921690849 /nfs/dbraw/zinc/69/08/49/921690849.db2.gz WBTTUYWWLNPGKM-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875181 921690854 /nfs/dbraw/zinc/69/08/54/921690854.db2.gz WBTTUYWWLNPGKM-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CCC[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689825 915925964 /nfs/dbraw/zinc/92/59/64/915925964.db2.gz MNHAVLOURAFAIE-UHFFFAOYSA-N 2 2 278.400 1.795 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929070 916072053 /nfs/dbraw/zinc/07/20/53/916072053.db2.gz ATEKPKUAQLWBAS-ZFWWWQNUSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001052822 936546730 /nfs/dbraw/zinc/54/67/30/936546730.db2.gz OLBLHRXIXWTXDQ-ZDUSSCGKSA-N 2 2 262.357 1.040 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586128 919675025 /nfs/dbraw/zinc/67/50/25/919675025.db2.gz DUWJHTAJTKALBF-OLZOCXBDSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185786725 919750513 /nfs/dbraw/zinc/75/05/13/919750513.db2.gz AFCVXQOQXHWTKY-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001082572725 924960738 /nfs/dbraw/zinc/96/07/38/924960738.db2.gz UYZCMDGSDYIJKB-HKUMRIAESA-N 2 2 274.368 1.136 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001082572725 924960742 /nfs/dbraw/zinc/96/07/42/924960742.db2.gz UYZCMDGSDYIJKB-HKUMRIAESA-N 2 2 274.368 1.136 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084312077 925220855 /nfs/dbraw/zinc/22/08/55/925220855.db2.gz AUBWDDWNJXUVSO-CHWSQXEVSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084312077 925220861 /nfs/dbraw/zinc/22/08/61/925220861.db2.gz AUBWDDWNJXUVSO-CHWSQXEVSA-N 2 2 274.368 1.061 20 30 CDEDLP CN(C)c1cc[nH+]cc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000776188279 926300416 /nfs/dbraw/zinc/30/04/16/926300416.db2.gz YNIBFTHVWFDMNX-CHWSQXEVSA-N 2 2 286.383 1.342 20 30 CDEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134971723 929985868 /nfs/dbraw/zinc/98/58/68/929985868.db2.gz ZBTBVDDUSITJGF-ZIAGYGMSSA-N 2 2 298.390 1.844 20 30 CDEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944769 930551960 /nfs/dbraw/zinc/55/19/60/930551960.db2.gz PFLAIAFDMBWKFN-ZIAGYGMSSA-N 2 2 292.427 1.802 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032246 930609809 /nfs/dbraw/zinc/60/98/09/930609809.db2.gz YAYDOUOJKUPZEE-NEPJUHHUSA-N 2 2 278.400 1.710 20 30 CDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246138073 931097435 /nfs/dbraw/zinc/09/74/35/931097435.db2.gz AJFVHPBOJCXUFI-KBPBESRZSA-N 3 2 251.418 1.805 20 30 CDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110876837 931475331 /nfs/dbraw/zinc/47/53/31/931475331.db2.gz VYIGDBWHOQPQKP-KFWWJZLASA-N 2 2 288.395 1.571 20 30 CDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110876837 931475333 /nfs/dbraw/zinc/47/53/33/931475333.db2.gz VYIGDBWHOQPQKP-KFWWJZLASA-N 2 2 288.395 1.571 20 30 CDEDLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171180970 931820374 /nfs/dbraw/zinc/82/03/74/931820374.db2.gz FIAQYYSSVIZCDA-SWLSCSKDSA-N 2 2 289.379 1.359 20 30 CDEDLP Cc1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c(C#N)n1 ZINC001155064128 937629931 /nfs/dbraw/zinc/62/99/31/937629931.db2.gz MTMHXQNLCIAARN-UHFFFAOYSA-N 2 2 268.324 1.309 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001015002255 935556265 /nfs/dbraw/zinc/55/62/65/935556265.db2.gz ZORYUDYJOHDTDT-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001015002255 935556276 /nfs/dbraw/zinc/55/62/76/935556276.db2.gz ZORYUDYJOHDTDT-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001160432515 938786786 /nfs/dbraw/zinc/78/67/86/938786786.db2.gz YUWOADVYGLZEDV-AWEZNQCLSA-N 2 2 265.401 1.224 20 30 CDEDLP C=CCOC(=O)N1CCCC2(CC[NH+](C[C@H](C)[NH3+])CC2)C1 ZINC001204848817 939799442 /nfs/dbraw/zinc/79/94/42/939799442.db2.gz UVNTXASCEJSSEF-AWEZNQCLSA-N 2 2 295.427 1.834 20 30 CDEDLP C=CCN(CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1)C(=O)OCC ZINC001206154309 939987527 /nfs/dbraw/zinc/98/75/27/939987527.db2.gz IUPPMZWDZZIDNG-QWHCGFSZSA-N 2 2 287.379 1.392 20 30 CDEDLP C=CCN(CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1)C(=O)OCC ZINC001206154309 939987530 /nfs/dbraw/zinc/98/75/30/939987530.db2.gz IUPPMZWDZZIDNG-QWHCGFSZSA-N 2 2 287.379 1.392 20 30 CDEDLP C[NH+]1CCC(C[N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001207395850 940188048 /nfs/dbraw/zinc/18/80/48/940188048.db2.gz YPCJSIKPLCFRSA-CYBMUJFWSA-N 2 2 266.410 1.602 20 30 CDEDLP C[NH+]1CCC(C[N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001207395850 940188049 /nfs/dbraw/zinc/18/80/49/940188049.db2.gz YPCJSIKPLCFRSA-CYBMUJFWSA-N 2 2 266.410 1.602 20 30 CDEDLP C[NH+]1CCC(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001207395850 940188050 /nfs/dbraw/zinc/18/80/50/940188050.db2.gz YPCJSIKPLCFRSA-CYBMUJFWSA-N 2 2 266.410 1.602 20 30 CDEDLP C[NH+]1CCC(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001207395850 940188051 /nfs/dbraw/zinc/18/80/51/940188051.db2.gz YPCJSIKPLCFRSA-CYBMUJFWSA-N 2 2 266.410 1.602 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001207620859 940222125 /nfs/dbraw/zinc/22/21/25/940222125.db2.gz AIFSXHMCQBZIAB-MCIONIFRSA-N 2 2 252.406 1.150 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001207620859 940222127 /nfs/dbraw/zinc/22/21/27/940222127.db2.gz AIFSXHMCQBZIAB-MCIONIFRSA-N 2 2 252.406 1.150 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924800 940263526 /nfs/dbraw/zinc/26/35/26/940263526.db2.gz RDKNMQLNZYMACV-ZDUSSCGKSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208248015 940312270 /nfs/dbraw/zinc/31/22/70/940312270.db2.gz ZVJMZBOZHHKNDF-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208248015 940312273 /nfs/dbraw/zinc/31/22/73/940312273.db2.gz ZVJMZBOZHHKNDF-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208679374 940370093 /nfs/dbraw/zinc/37/00/93/940370093.db2.gz LLXGHNIHPHWSKY-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814446 940839735 /nfs/dbraw/zinc/83/97/35/940839735.db2.gz VJGKCUAVPHKNAX-UKRRQHHQSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814446 940839737 /nfs/dbraw/zinc/83/97/37/940839737.db2.gz VJGKCUAVPHKNAX-UKRRQHHQSA-N 2 2 290.411 1.745 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222252353 941579208 /nfs/dbraw/zinc/57/92/08/941579208.db2.gz CEJYRUBWGVKYIL-MRXNPFEDSA-N 2 2 271.364 1.982 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222252353 941579211 /nfs/dbraw/zinc/57/92/11/941579211.db2.gz CEJYRUBWGVKYIL-MRXNPFEDSA-N 2 2 271.364 1.982 20 30 CDEDLP C=CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223987514 941712583 /nfs/dbraw/zinc/71/25/83/941712583.db2.gz PLRUERGICLYMQP-UHFFFAOYSA-N 2 2 276.384 1.287 20 30 CDEDLP C=CCCCCCC[N@@H+]1CCN2CC[NH2+]C[C@@H]2C1 ZINC001234975082 943990516 /nfs/dbraw/zinc/99/05/16/943990516.db2.gz OBQAURODBTVARV-OAHLLOKOSA-N 2 2 251.418 1.712 20 30 CDEDLP C=CCCCCCC[N@H+]1CCN2CC[NH2+]C[C@@H]2C1 ZINC001234975082 943990519 /nfs/dbraw/zinc/99/05/19/943990519.db2.gz OBQAURODBTVARV-OAHLLOKOSA-N 2 2 251.418 1.712 20 30 CDEDLP N#Cc1ccc(Cl)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235992221 944356983 /nfs/dbraw/zinc/35/69/83/944356983.db2.gz AXKCTUVVBXCCQT-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP N#Cc1ccc(Cl)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235992221 944356990 /nfs/dbraw/zinc/35/69/90/944356990.db2.gz AXKCTUVVBXCCQT-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP C[NH+]1CCC2(C[NH+](Cc3cn4cc(C#N)ccc4n3)C2)CC1 ZINC001237606436 944877638 /nfs/dbraw/zinc/87/76/38/944877638.db2.gz MDRNNPCCQPXBQK-UHFFFAOYSA-N 2 2 295.390 1.734 20 30 CDEDLP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)[NH+](C)C ZINC001327991159 955148155 /nfs/dbraw/zinc/14/81/55/955148155.db2.gz CMOIMZWHEIHGBH-LBPRGKRZSA-N 2 2 274.368 1.427 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001421668141 955462865 /nfs/dbraw/zinc/46/28/65/955462865.db2.gz VHVHUPHZYKVMGB-GFCCVEGCSA-N 2 2 296.802 1.594 20 30 CDEDLP C[C@@H](C#N)OCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308168764 956488172 /nfs/dbraw/zinc/48/81/72/956488172.db2.gz UUQQMWBUQKHTLJ-LBPRGKRZSA-N 2 2 262.357 1.528 20 30 CDEDLP C#C[C@@H](CCC)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001338520532 961854865 /nfs/dbraw/zinc/85/48/65/961854865.db2.gz ROCNHQDQNCDQOH-IRXDYDNUSA-N 2 2 274.408 1.871 20 30 CDEDLP C#C[C@@H](CCC)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001338520532 961854888 /nfs/dbraw/zinc/85/48/88/961854888.db2.gz ROCNHQDQNCDQOH-IRXDYDNUSA-N 2 2 274.408 1.871 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001343822619 964151711 /nfs/dbraw/zinc/15/17/11/964151711.db2.gz KBACMCLAGJHQIP-CQSZACIVSA-N 2 2 290.411 1.810 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1COC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001347037674 965343435 /nfs/dbraw/zinc/34/34/35/965343435.db2.gz BNLBFRKRQCTYCM-LSDHHAIUSA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1COC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001347037674 965343444 /nfs/dbraw/zinc/34/34/44/965343444.db2.gz BNLBFRKRQCTYCM-LSDHHAIUSA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001347037674 965343453 /nfs/dbraw/zinc/34/34/53/965343453.db2.gz BNLBFRKRQCTYCM-LSDHHAIUSA-N 2 2 278.396 1.500 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001347037674 965343461 /nfs/dbraw/zinc/34/34/61/965343461.db2.gz BNLBFRKRQCTYCM-LSDHHAIUSA-N 2 2 278.396 1.500 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC001460113323 969478491 /nfs/dbraw/zinc/47/84/91/969478491.db2.gz UDORSRRACBRTES-UHFFFAOYSA-N 2 2 290.367 1.360 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405875564 975920966 /nfs/dbraw/zinc/92/09/66/975920966.db2.gz VWJOHZNBDVEVGK-JTQLQIEISA-N 2 2 270.764 1.141 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001399715936 976656182 /nfs/dbraw/zinc/65/61/82/976656182.db2.gz WWDAVABGSKAOEH-CHWSQXEVSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001399715936 976656188 /nfs/dbraw/zinc/65/61/88/976656188.db2.gz WWDAVABGSKAOEH-CHWSQXEVSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001399715936 976656193 /nfs/dbraw/zinc/65/61/93/976656193.db2.gz WWDAVABGSKAOEH-CHWSQXEVSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001399715936 976656197 /nfs/dbraw/zinc/65/61/97/976656197.db2.gz WWDAVABGSKAOEH-CHWSQXEVSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001392803237 977600864 /nfs/dbraw/zinc/60/08/64/977600864.db2.gz UKFSTDMBMLNNGY-LBPRGKRZSA-N 2 2 282.775 1.189 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]C2CC(C)(C(=O)OCC)C2)CC1 ZINC000601267421 342547320 /nfs/dbraw/zinc/54/73/20/342547320.db2.gz LIPDUOWWTDZJGQ-UHFFFAOYSA-N 2 2 280.412 1.958 20 30 CDEDLP N#CCCN1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC000601316133 342552335 /nfs/dbraw/zinc/55/23/35/342552335.db2.gz TUZHVEGEBNDWTI-UHFFFAOYSA-N 2 2 276.428 1.392 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C#N)cc1F ZINC000591582469 342638101 /nfs/dbraw/zinc/63/81/01/342638101.db2.gz LYVIFLZRPIZNOP-AAEUAGOBSA-N 2 2 277.343 1.726 20 30 CDEDLP C[C@H](C#N)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591735023 342644821 /nfs/dbraw/zinc/64/48/21/342644821.db2.gz SSGGXJQDYNNEKS-UKRRQHHQSA-N 2 2 261.369 1.229 20 30 CDEDLP C[C@H](C#N)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591735023 342644822 /nfs/dbraw/zinc/64/48/22/342644822.db2.gz SSGGXJQDYNNEKS-UKRRQHHQSA-N 2 2 261.369 1.229 20 30 CDEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCOC3)CC2)c1 ZINC000593692422 342823456 /nfs/dbraw/zinc/82/34/56/342823456.db2.gz FDEOLFZKFCQAEF-KRWDZBQOSA-N 2 2 285.391 1.901 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000442815338 362093497 /nfs/dbraw/zinc/09/34/97/362093497.db2.gz DXSSNLPNMOVPCM-XDNAFOTISA-N 2 2 299.418 1.904 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000442815338 362093505 /nfs/dbraw/zinc/09/35/05/362093505.db2.gz DXSSNLPNMOVPCM-XDNAFOTISA-N 2 2 299.418 1.904 20 30 CDEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccnc(C#N)c1 ZINC000619622482 349823739 /nfs/dbraw/zinc/82/37/39/349823739.db2.gz FCCNQLQNABJHQZ-UHFFFAOYSA-N 2 2 258.369 1.871 20 30 CDEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccnc(C#N)c1 ZINC000619622482 349823741 /nfs/dbraw/zinc/82/37/41/349823741.db2.gz FCCNQLQNABJHQZ-UHFFFAOYSA-N 2 2 258.369 1.871 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598700645 343889193 /nfs/dbraw/zinc/88/91/93/343889193.db2.gz DWIWWYHBSBLVGA-LSDHHAIUSA-N 2 2 297.443 1.234 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598700645 343889194 /nfs/dbraw/zinc/88/91/94/343889194.db2.gz DWIWWYHBSBLVGA-LSDHHAIUSA-N 2 2 297.443 1.234 20 30 CDEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000611302744 346742286 /nfs/dbraw/zinc/74/22/86/346742286.db2.gz OQRGQRDGVXYGPG-CQSZACIVSA-N 2 2 280.416 1.211 20 30 CDEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000611302744 346742289 /nfs/dbraw/zinc/74/22/89/346742289.db2.gz OQRGQRDGVXYGPG-CQSZACIVSA-N 2 2 280.416 1.211 20 30 CDEDLP CC(C)[C@@H](C#N)N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000611431828 346782394 /nfs/dbraw/zinc/78/23/94/346782394.db2.gz CLSMXIDJTKZATD-JKSUJKDBSA-N 2 2 278.444 1.636 20 30 CDEDLP CC(C)[C@@H](C#N)N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000611431828 346782396 /nfs/dbraw/zinc/78/23/96/346782396.db2.gz CLSMXIDJTKZATD-JKSUJKDBSA-N 2 2 278.444 1.636 20 30 CDEDLP CCc1ccc([C@H](CNC(=[NH2+])NC2CC2)[NH+](C)C)cc1 ZINC000066242348 347479218 /nfs/dbraw/zinc/47/92/18/347479218.db2.gz GJEMXQJROKBYRI-HNNXBMFYSA-N 2 2 274.412 1.918 20 30 CDEDLP CCNC(NCCc1[nH]c2ccccc2[nH+]1)=[NH+]CC ZINC000264054193 362952379 /nfs/dbraw/zinc/95/23/79/362952379.db2.gz ACKOYCHLNWCVSW-UHFFFAOYSA-N 2 2 259.357 1.680 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000264073007 362958121 /nfs/dbraw/zinc/95/81/21/362958121.db2.gz DRGSEYXLUUVCHU-CQSZACIVSA-N 2 2 260.385 1.688 20 30 CDEDLP CCC[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000569477127 359242111 /nfs/dbraw/zinc/24/21/11/359242111.db2.gz XMVFEDFFMTZSJQ-UHFFFAOYSA-N 2 2 298.394 1.565 20 30 CDEDLP C=CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000273378839 359466801 /nfs/dbraw/zinc/46/68/01/359466801.db2.gz GJCGINIDJILPEB-UHFFFAOYSA-N 2 2 287.411 1.379 20 30 CDEDLP C=CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000273378839 359466815 /nfs/dbraw/zinc/46/68/15/359466815.db2.gz GJCGINIDJILPEB-UHFFFAOYSA-N 2 2 287.411 1.379 20 30 CDEDLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000337276764 360059198 /nfs/dbraw/zinc/05/91/98/360059198.db2.gz RCUDSKZYSDYTBI-MRXNPFEDSA-N 2 2 292.427 1.213 20 30 CDEDLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000337276764 360059200 /nfs/dbraw/zinc/05/92/00/360059200.db2.gz RCUDSKZYSDYTBI-MRXNPFEDSA-N 2 2 292.427 1.213 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000276770680 374746911 /nfs/dbraw/zinc/74/69/11/374746911.db2.gz ORSQCSBFBFKHNC-ZDUSSCGKSA-N 2 2 269.352 1.999 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000276770680 374746918 /nfs/dbraw/zinc/74/69/18/374746918.db2.gz ORSQCSBFBFKHNC-ZDUSSCGKSA-N 2 2 269.352 1.999 20 30 CDEDLP C[C@H]1CN(CCC#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000343710558 378952440 /nfs/dbraw/zinc/95/24/40/378952440.db2.gz LVPGBHOCZRVIHH-ZDUSSCGKSA-N 2 2 250.390 1.000 20 30 CDEDLP C[C@H]1CN(CCC#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343710558 378952449 /nfs/dbraw/zinc/95/24/49/378952449.db2.gz LVPGBHOCZRVIHH-ZDUSSCGKSA-N 2 2 250.390 1.000 20 30 CDEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CC1)c1cccc(F)c1 ZINC000195522274 262251990 /nfs/dbraw/zinc/25/19/90/262251990.db2.gz HSYKSFQMOVLCHM-CYBMUJFWSA-N 2 2 264.348 1.495 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266738900 391179787 /nfs/dbraw/zinc/17/97/87/391179787.db2.gz LNZCBWKYGXXWAU-UHFFFAOYSA-N 2 2 289.383 1.351 20 30 CDEDLP C[NH+]=C(NCc1cn[nH]c1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261952067 391739464 /nfs/dbraw/zinc/73/94/64/391739464.db2.gz HRJFGEKUKOSHDQ-SMDDNHRTSA-N 2 2 292.431 1.112 20 30 CDEDLP C[NH+]=C(NCc1cn[nH]c1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261952067 391739470 /nfs/dbraw/zinc/73/94/70/391739470.db2.gz HRJFGEKUKOSHDQ-SMDDNHRTSA-N 2 2 292.431 1.112 20 30 CDEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)N[C@@H]1C[C@@H]1C ZINC000262825625 391830954 /nfs/dbraw/zinc/83/09/54/391830954.db2.gz QIGBDLLBYUIPEZ-QJPTWQEYSA-N 2 2 280.441 1.924 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000491019461 261297510 /nfs/dbraw/zinc/29/75/10/261297510.db2.gz AMLWGPVSKPGMLP-HRCADAONSA-N 2 2 291.439 1.178 20 30 CDEDLP C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364993860 262266540 /nfs/dbraw/zinc/26/65/40/262266540.db2.gz IYPVECBQRBYLMX-CQSZACIVSA-N 2 2 294.443 1.372 20 30 CDEDLP C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364993860 262266541 /nfs/dbraw/zinc/26/65/41/262266541.db2.gz IYPVECBQRBYLMX-CQSZACIVSA-N 2 2 294.443 1.372 20 30 CDEDLP C=CCOc1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653077622 423853470 /nfs/dbraw/zinc/85/34/70/423853470.db2.gz FUBAODBOAIIKQS-AWEZNQCLSA-N 2 2 277.368 1.469 20 30 CDEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000377263426 268061117 /nfs/dbraw/zinc/06/11/17/268061117.db2.gz XUEVPVADZXPRCY-ZBFHGGJFSA-N 2 2 292.427 1.211 20 30 CDEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000377263426 268061120 /nfs/dbraw/zinc/06/11/20/268061120.db2.gz XUEVPVADZXPRCY-ZBFHGGJFSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[NH+]1CCC([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000576399590 317131591 /nfs/dbraw/zinc/13/15/91/317131591.db2.gz WWVWDIKSNRTPMJ-UHFFFAOYSA-N 2 2 298.394 1.517 20 30 CDEDLP CC[NH+]1CCC([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000576399590 317131593 /nfs/dbraw/zinc/13/15/93/317131593.db2.gz WWVWDIKSNRTPMJ-UHFFFAOYSA-N 2 2 298.394 1.517 20 30 CDEDLP C=CC[N@H+](Cc1cccs1)C[C@](C)(O)C[NH2+]C ZINC000569612079 327212782 /nfs/dbraw/zinc/21/27/82/327212782.db2.gz SJJQTJBGKBPWDL-CYBMUJFWSA-N 2 2 254.399 1.707 20 30 CDEDLP C=CC[N@@H+](Cc1cccs1)C[C@](C)(O)C[NH2+]C ZINC000569612079 327212783 /nfs/dbraw/zinc/21/27/83/327212783.db2.gz SJJQTJBGKBPWDL-CYBMUJFWSA-N 2 2 254.399 1.707 20 30 CDEDLP CC[C@H](C)[NH2+][C@@H](CNC1=[NH+]C[C@H](C)N1)c1ccco1 ZINC000262687395 330027119 /nfs/dbraw/zinc/02/71/19/330027119.db2.gz YXFSXDZHSYIMIB-SRVKXCTJSA-N 2 2 264.373 1.646 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000429682903 330059422 /nfs/dbraw/zinc/05/94/22/330059422.db2.gz HNZXYHZEBKKBSO-RBSFLKMASA-N 2 2 263.385 1.333 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000429682903 330059423 /nfs/dbraw/zinc/05/94/23/330059423.db2.gz HNZXYHZEBKKBSO-RBSFLKMASA-N 2 2 263.385 1.333 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000328056223 330304474 /nfs/dbraw/zinc/30/44/74/330304474.db2.gz AQJKCBFCRLTVFL-CQSZACIVSA-N 2 2 299.422 1.952 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000328056223 330304475 /nfs/dbraw/zinc/30/44/75/330304475.db2.gz AQJKCBFCRLTVFL-CQSZACIVSA-N 2 2 299.422 1.952 20 30 CDEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC(C)(C)CCC#N)C[C@@H](C)O1 ZINC000572476704 330587469 /nfs/dbraw/zinc/58/74/69/330587469.db2.gz CIUSFMRMWZVXBH-RBSFLKMASA-N 2 2 297.443 1.376 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000491219443 332167943 /nfs/dbraw/zinc/16/79/43/332167943.db2.gz FKUDOFYEGLRWMX-DOTOQJQBSA-N 2 2 299.418 1.551 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000491219443 332167944 /nfs/dbraw/zinc/16/79/44/332167944.db2.gz FKUDOFYEGLRWMX-DOTOQJQBSA-N 2 2 299.418 1.551 20 30 CDEDLP N#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000551273185 334244320 /nfs/dbraw/zinc/24/43/20/334244320.db2.gz UMGJGFLGBRJUBT-JCGIZDLHSA-N 2 2 299.418 1.687 20 30 CDEDLP N#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000551273185 334244321 /nfs/dbraw/zinc/24/43/21/334244321.db2.gz UMGJGFLGBRJUBT-JCGIZDLHSA-N 2 2 299.418 1.687 20 30 CDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCC#N)CC1 ZINC000576777943 335247046 /nfs/dbraw/zinc/24/70/46/335247046.db2.gz MCJHCVCGRGTQFK-CYBMUJFWSA-N 2 2 251.374 1.475 20 30 CDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCC#N)CC1 ZINC000576777943 335247047 /nfs/dbraw/zinc/24/70/47/335247047.db2.gz MCJHCVCGRGTQFK-CYBMUJFWSA-N 2 2 251.374 1.475 20 30 CDEDLP C=CCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000671744023 482540974 /nfs/dbraw/zinc/54/09/74/482540974.db2.gz SCUQZAZONSXQHU-AWEZNQCLSA-N 2 2 291.395 1.651 20 30 CDEDLP Clc1ccc(C#CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000674249477 482975457 /nfs/dbraw/zinc/97/54/57/482975457.db2.gz WKTWYPQFHRNCDI-ZIAGYGMSSA-N 2 2 260.768 1.843 20 30 CDEDLP C=C(C)COCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352796002 526654354 /nfs/dbraw/zinc/65/43/54/526654354.db2.gz WLHNHYMFGXVWFL-UHFFFAOYSA-N 2 2 269.414 1.887 20 30 CDEDLP Cc1[nH+]c(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c2ccccn12 ZINC000753937929 576867542 /nfs/dbraw/zinc/86/75/42/576867542.db2.gz HVSCXADHRRMSAO-BETUJISGSA-N 2 2 296.378 1.837 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981686988 613153034 /nfs/dbraw/zinc/15/30/34/613153034.db2.gz BGPANJJXJQUMPA-MRXNPFEDSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981686988 613153035 /nfs/dbraw/zinc/15/30/35/613153035.db2.gz BGPANJJXJQUMPA-MRXNPFEDSA-N 2 2 289.423 1.028 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886250 613313778 /nfs/dbraw/zinc/31/37/78/613313778.db2.gz LJEZWOBPZMNTED-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886250 613313780 /nfs/dbraw/zinc/31/37/80/613313780.db2.gz LJEZWOBPZMNTED-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000969519721 613384652 /nfs/dbraw/zinc/38/46/52/613384652.db2.gz WIJGCDPWCOSAPE-GFCCVEGCSA-N 2 2 282.775 1.216 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947761684 613535925 /nfs/dbraw/zinc/53/59/25/613535925.db2.gz OMDNKPZAXRXKKZ-OLZOCXBDSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947761684 613535928 /nfs/dbraw/zinc/53/59/28/613535928.db2.gz OMDNKPZAXRXKKZ-OLZOCXBDSA-N 2 2 276.384 1.497 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595807 613593015 /nfs/dbraw/zinc/59/30/15/613593015.db2.gz DSOASKOHYIYRHY-SWLSCSKDSA-N 2 2 288.395 1.111 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595807 613593018 /nfs/dbraw/zinc/59/30/18/613593018.db2.gz DSOASKOHYIYRHY-SWLSCSKDSA-N 2 2 288.395 1.111 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980192126 613820234 /nfs/dbraw/zinc/82/02/34/613820234.db2.gz FMVUZYVNPJNWGL-MELADBBJSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980192126 613820236 /nfs/dbraw/zinc/82/02/36/613820236.db2.gz FMVUZYVNPJNWGL-MELADBBJSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000981485108 613860506 /nfs/dbraw/zinc/86/05/06/613860506.db2.gz GUSUXMPBJHDKOG-CHWSQXEVSA-N 2 2 276.384 1.464 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939533612 613868424 /nfs/dbraw/zinc/86/84/24/613868424.db2.gz CCUFXWXBQBSWKL-VXGBXAGGSA-N 2 2 276.384 1.310 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001020285958 679738289 /nfs/dbraw/zinc/73/82/89/679738289.db2.gz MXJRBSZGFSBVSH-JOCQHMNTSA-N 2 2 276.384 1.349 20 30 CDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075993358 679760859 /nfs/dbraw/zinc/76/08/59/679760859.db2.gz QIDNFZCBLJKWLL-GOEBONIOSA-N 2 2 294.358 1.114 20 30 CDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075993358 679760863 /nfs/dbraw/zinc/76/08/63/679760863.db2.gz QIDNFZCBLJKWLL-GOEBONIOSA-N 2 2 294.358 1.114 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009505490 679777674 /nfs/dbraw/zinc/77/76/74/679777674.db2.gz BQOCXNJIZKOCPR-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009505490 679777675 /nfs/dbraw/zinc/77/76/75/679777675.db2.gz BQOCXNJIZKOCPR-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009505490 679777676 /nfs/dbraw/zinc/77/76/76/679777676.db2.gz BQOCXNJIZKOCPR-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015689746 679775329 /nfs/dbraw/zinc/77/53/29/679775329.db2.gz IOVGKPRFXMASQQ-OLZOCXBDSA-N 2 2 286.379 1.043 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009505490 679777673 /nfs/dbraw/zinc/77/76/73/679777673.db2.gz BQOCXNJIZKOCPR-CHWSQXEVSA-N 2 2 285.819 1.271 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038868339 679842546 /nfs/dbraw/zinc/84/25/46/679842546.db2.gz QTBKAKNWZWDYDK-OAHLLOKOSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038868339 679842547 /nfs/dbraw/zinc/84/25/47/679842547.db2.gz QTBKAKNWZWDYDK-OAHLLOKOSA-N 2 2 297.362 1.257 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052897696 679867002 /nfs/dbraw/zinc/86/70/02/679867002.db2.gz LCRHEWQIWYCEIN-CQSZACIVSA-N 2 2 290.411 1.807 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052897696 679867004 /nfs/dbraw/zinc/86/70/04/679867004.db2.gz LCRHEWQIWYCEIN-CQSZACIVSA-N 2 2 290.411 1.807 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027970308 681771916 /nfs/dbraw/zinc/77/19/16/681771916.db2.gz AEDZWWAFGVHFGW-UONOGXRCSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027970308 681771922 /nfs/dbraw/zinc/77/19/22/681771922.db2.gz AEDZWWAFGVHFGW-UONOGXRCSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970308 681771926 /nfs/dbraw/zinc/77/19/26/681771926.db2.gz AEDZWWAFGVHFGW-UONOGXRCSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970308 681771929 /nfs/dbraw/zinc/77/19/29/681771929.db2.gz AEDZWWAFGVHFGW-UONOGXRCSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000986213569 681529519 /nfs/dbraw/zinc/52/95/19/681529519.db2.gz NHVHDFPXUHGYHB-STQMWFEESA-N 2 2 276.384 1.497 20 30 CDEDLP N#CCOc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925623782 681552329 /nfs/dbraw/zinc/55/23/29/681552329.db2.gz XAFBYIXKCGOJRB-GMBUGEKQSA-N 2 2 283.375 1.675 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052552820 681565430 /nfs/dbraw/zinc/56/54/30/681565430.db2.gz AWLIAPVOUTWXBO-CQSZACIVSA-N 2 2 296.374 1.552 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052552820 681565434 /nfs/dbraw/zinc/56/54/34/681565434.db2.gz AWLIAPVOUTWXBO-CQSZACIVSA-N 2 2 296.374 1.552 20 30 CDEDLP N#Cc1cc(F)ccc1N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000866704234 681621630 /nfs/dbraw/zinc/62/16/30/681621630.db2.gz RUFFXFYDFATXRZ-ZDUSSCGKSA-N 2 2 288.370 1.429 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028980 681637197 /nfs/dbraw/zinc/63/71/97/681637197.db2.gz SQTKFVQRGNOZLP-GFCCVEGCSA-N 2 2 292.383 1.116 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033163623 681709380 /nfs/dbraw/zinc/70/93/80/681709380.db2.gz PMOJWCOHBYQPKO-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033163623 681709387 /nfs/dbraw/zinc/70/93/87/681709387.db2.gz PMOJWCOHBYQPKO-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001033163623 681709391 /nfs/dbraw/zinc/70/93/91/681709391.db2.gz PMOJWCOHBYQPKO-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001033163623 681709398 /nfs/dbraw/zinc/70/93/98/681709398.db2.gz PMOJWCOHBYQPKO-BFHYXJOUSA-N 2 2 288.395 1.622 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001031254602 681724500 /nfs/dbraw/zinc/72/45/00/681724500.db2.gz WCNHOOOMRKDUGO-DZGCQCFKSA-N 2 2 279.428 1.483 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001036108574 681821573 /nfs/dbraw/zinc/82/15/73/681821573.db2.gz YZECIEDMUJRQLG-ZIAGYGMSSA-N 2 2 298.390 1.961 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000989266948 681830953 /nfs/dbraw/zinc/83/09/53/681830953.db2.gz PKDAIVJKSYOVPO-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP CC(C)CNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104158952 681969436 /nfs/dbraw/zinc/96/94/36/681969436.db2.gz DYJVDJDCPWHHGD-BETUJISGSA-N 2 2 284.448 1.435 20 30 CDEDLP CC(C)CNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104158952 681969448 /nfs/dbraw/zinc/96/94/48/681969448.db2.gz DYJVDJDCPWHHGD-BETUJISGSA-N 2 2 284.448 1.435 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001032522292 682312420 /nfs/dbraw/zinc/31/24/20/682312420.db2.gz XPSOAZQUBVHGMX-KBPBESRZSA-N 2 2 274.368 1.053 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001032522292 682312427 /nfs/dbraw/zinc/31/24/27/682312427.db2.gz XPSOAZQUBVHGMX-KBPBESRZSA-N 2 2 274.368 1.053 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001017705593 682315607 /nfs/dbraw/zinc/31/56/07/682315607.db2.gz BGWBWJDQMGWRGT-GASCZTMLSA-N 2 2 296.374 1.809 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001017705593 682315622 /nfs/dbraw/zinc/31/56/22/682315622.db2.gz BGWBWJDQMGWRGT-GASCZTMLSA-N 2 2 296.374 1.809 20 30 CDEDLP C[C@H]1OCC[C@H]1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000871735303 682319852 /nfs/dbraw/zinc/31/98/52/682319852.db2.gz OPEKAYNJWSESIN-DOMZBBRYSA-N 2 2 291.395 1.810 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014494057 682337662 /nfs/dbraw/zinc/33/76/62/682337662.db2.gz KKJASIKXPMVOPU-CYBMUJFWSA-N 2 2 288.395 1.138 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014494057 682337668 /nfs/dbraw/zinc/33/76/68/682337668.db2.gz KKJASIKXPMVOPU-CYBMUJFWSA-N 2 2 288.395 1.138 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014988915 682422476 /nfs/dbraw/zinc/42/24/76/682422476.db2.gz DFMIALSVVNJQNX-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014988915 682422488 /nfs/dbraw/zinc/42/24/88/682422488.db2.gz DFMIALSVVNJQNX-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000392765946 682600239 /nfs/dbraw/zinc/60/02/39/682600239.db2.gz ASEPPKPBADCZRZ-UHFFFAOYSA-N 2 2 275.352 1.948 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000392765946 682600243 /nfs/dbraw/zinc/60/02/43/682600243.db2.gz ASEPPKPBADCZRZ-UHFFFAOYSA-N 2 2 275.352 1.948 20 30 CDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001027597234 682648911 /nfs/dbraw/zinc/64/89/11/682648911.db2.gz GKVYQJTWCCOXTD-LSDHHAIUSA-N 2 2 288.395 1.390 20 30 CDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001027597234 682648916 /nfs/dbraw/zinc/64/89/16/682648916.db2.gz GKVYQJTWCCOXTD-LSDHHAIUSA-N 2 2 288.395 1.390 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=C)C ZINC001027940369 682700180 /nfs/dbraw/zinc/70/01/80/682700180.db2.gz LDMIQQPYGQOZBU-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(=C)C ZINC001027940369 682700186 /nfs/dbraw/zinc/70/01/86/682700186.db2.gz LDMIQQPYGQOZBU-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(=C)C ZINC001027940369 682700190 /nfs/dbraw/zinc/70/01/90/682700190.db2.gz LDMIQQPYGQOZBU-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CCC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000845592170 682838749 /nfs/dbraw/zinc/83/87/49/682838749.db2.gz FZXXVMRDMAYVQF-AWEZNQCLSA-N 2 2 288.395 1.438 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072085612 682864949 /nfs/dbraw/zinc/86/49/49/682864949.db2.gz WFFJMVMXJLPLOR-HIFRSBDPSA-N 2 2 288.395 1.184 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072085612 682864950 /nfs/dbraw/zinc/86/49/50/682864950.db2.gz WFFJMVMXJLPLOR-HIFRSBDPSA-N 2 2 288.395 1.184 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC ZINC001037936181 683072464 /nfs/dbraw/zinc/07/24/64/683072464.db2.gz UMQCEBXAIFPITJ-UKRRQHHQSA-N 2 2 290.411 1.745 20 30 CDEDLP Cc1cc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc(C)[nH+]1 ZINC000884347061 683094873 /nfs/dbraw/zinc/09/48/73/683094873.db2.gz IXFIGRZWOABEMN-CKDBGZEDSA-N 2 2 298.390 1.454 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502226 683131598 /nfs/dbraw/zinc/13/15/98/683131598.db2.gz CTSFLGGCBPGQIF-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502226 683131601 /nfs/dbraw/zinc/13/16/01/683131601.db2.gz CTSFLGGCBPGQIF-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049927825 683185080 /nfs/dbraw/zinc/18/50/80/683185080.db2.gz OBMPCMGNXTZYHP-LSDHHAIUSA-N 2 2 288.395 1.525 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049927825 683185082 /nfs/dbraw/zinc/18/50/82/683185082.db2.gz OBMPCMGNXTZYHP-LSDHHAIUSA-N 2 2 288.395 1.525 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107212 683764993 /nfs/dbraw/zinc/76/49/93/683764993.db2.gz MJAFKBFKKLOKRO-LSDHHAIUSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107212 683764994 /nfs/dbraw/zinc/76/49/94/683764994.db2.gz MJAFKBFKKLOKRO-LSDHHAIUSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970813 683869020 /nfs/dbraw/zinc/86/90/20/683869020.db2.gz YNMWSAXXIGNPKC-OAHLLOKOSA-N 2 2 290.411 1.820 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970813 683869022 /nfs/dbraw/zinc/86/90/22/683869022.db2.gz YNMWSAXXIGNPKC-OAHLLOKOSA-N 2 2 290.411 1.820 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003166759 684065656 /nfs/dbraw/zinc/06/56/56/684065656.db2.gz LDTYBWYXJLPMHL-CQSZACIVSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003166759 684065658 /nfs/dbraw/zinc/06/56/58/684065658.db2.gz LDTYBWYXJLPMHL-CQSZACIVSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001044748528 684096051 /nfs/dbraw/zinc/09/60/51/684096051.db2.gz FBAZJQAKNQKAFN-QWHCGFSZSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999035484 684135910 /nfs/dbraw/zinc/13/59/10/684135910.db2.gz NBARIQIMMZBUOQ-LBPRGKRZSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001037841374 684149426 /nfs/dbraw/zinc/14/94/26/684149426.db2.gz PLTPKQABGYISGT-UONOGXRCSA-N 2 2 290.411 1.745 20 30 CDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874740 684164166 /nfs/dbraw/zinc/16/41/66/684164166.db2.gz HLMBGOHBNYHFKS-AWEZNQCLSA-N 2 2 296.374 1.733 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874740 684164168 /nfs/dbraw/zinc/16/41/68/684164168.db2.gz HLMBGOHBNYHFKS-AWEZNQCLSA-N 2 2 296.374 1.733 20 30 CDEDLP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996997872 684295590 /nfs/dbraw/zinc/29/55/90/684295590.db2.gz ZYHRURMUYJZOIP-ZDUSSCGKSA-N 2 2 286.379 1.043 20 30 CDEDLP C[C@@H](Nc1cc(C2(C#N)CC2)cc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170567013 1162939768 /nfs/dbraw/zinc/93/97/68/1162939768.db2.gz BRFYYBUIFSHOCZ-YPMHNXCESA-N 2 2 272.352 1.426 20 30 CDEDLP C=CC[NH2+][C@@H](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001713408539 1178543304 /nfs/dbraw/zinc/54/33/04/1178543304.db2.gz SFJBKTNSZUMEPL-ZDUSSCGKSA-N 2 2 290.411 1.432 20 30 CDEDLP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753358755 1184444924 /nfs/dbraw/zinc/44/49/24/1184444924.db2.gz SDRZJDMXOMQEOF-ZDUSSCGKSA-N 2 2 276.384 1.227 20 30 CDEDLP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753358755 1184444927 /nfs/dbraw/zinc/44/49/27/1184444927.db2.gz SDRZJDMXOMQEOF-ZDUSSCGKSA-N 2 2 276.384 1.227 20 30 CDEDLP C#CC[NH2+]C[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001753634139 1185278696 /nfs/dbraw/zinc/27/86/96/1185278696.db2.gz LNWTZHMNLUAHJI-ZDUSSCGKSA-N 2 2 298.390 1.160 20 30 CDEDLP C=CC[NH2+]CCN(CCO)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001754886838 1185756386 /nfs/dbraw/zinc/75/63/86/1185756386.db2.gz JEWLKTWFQBIDDU-UHFFFAOYSA-N 2 2 291.395 1.217 20 30 CDEDLP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755193942 1185848463 /nfs/dbraw/zinc/84/84/63/1185848463.db2.gz JPMXKBQWJHLOEZ-AWEZNQCLSA-N 2 2 296.374 1.504 20 30 CDEDLP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755193942 1185848468 /nfs/dbraw/zinc/84/84/68/1185848468.db2.gz JPMXKBQWJHLOEZ-AWEZNQCLSA-N 2 2 296.374 1.504 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155174447 1167100896 /nfs/dbraw/zinc/10/08/96/1167100896.db2.gz CFGBCNDLXJDOHD-CHWSQXEVSA-N 2 2 290.411 1.842 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155174447 1167100902 /nfs/dbraw/zinc/10/09/02/1167100902.db2.gz CFGBCNDLXJDOHD-CHWSQXEVSA-N 2 2 290.411 1.842 20 30 CDEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881328 913821149 /nfs/dbraw/zinc/82/11/49/913821149.db2.gz ODEFRVQDSFJPGA-LBPRGKRZSA-N 2 2 298.818 1.969 20 30 CDEDLP C#CCCC[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001209265792 894574489 /nfs/dbraw/zinc/57/44/89/894574489.db2.gz BNRHWXLCGHCEBO-UHFFFAOYSA-N 3 2 253.434 1.605 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346591 895378512 /nfs/dbraw/zinc/37/85/12/895378512.db2.gz PYSKRYBMHCYHMY-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177063724 914469485 /nfs/dbraw/zinc/46/94/85/914469485.db2.gz CAFWUOOEAFZKGI-OAHLLOKOSA-N 2 2 290.411 1.356 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001481641348 901573115 /nfs/dbraw/zinc/57/31/15/901573115.db2.gz NLEPXARXFMQIII-UHFFFAOYSA-N 2 2 273.808 1.129 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036908802 910688943 /nfs/dbraw/zinc/68/89/43/910688943.db2.gz UDPGAGMRMIEHCG-LSDHHAIUSA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036908802 910688956 /nfs/dbraw/zinc/68/89/56/910688956.db2.gz UDPGAGMRMIEHCG-LSDHHAIUSA-N 2 2 288.395 1.382 20 30 CDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179777362 915958347 /nfs/dbraw/zinc/95/83/47/915958347.db2.gz VINJEVHFRPSRAV-AWEZNQCLSA-N 2 2 290.411 1.488 20 30 CDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179777362 915958359 /nfs/dbraw/zinc/95/83/59/915958359.db2.gz VINJEVHFRPSRAV-AWEZNQCLSA-N 2 2 290.411 1.488 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079125 917977727 /nfs/dbraw/zinc/97/77/27/917977727.db2.gz UFGVSTNYGDALPF-ZIAGYGMSSA-N 2 2 276.384 1.143 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001183629145 918593908 /nfs/dbraw/zinc/59/39/08/918593908.db2.gz ISWGAVCNKJHZDX-CYBMUJFWSA-N 2 2 284.363 1.943 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186222171 919928426 /nfs/dbraw/zinc/92/84/26/919928426.db2.gz VQNIOJRNCMKKRA-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186222171 919928435 /nfs/dbraw/zinc/92/84/35/919928435.db2.gz VQNIOJRNCMKKRA-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448570 924241172 /nfs/dbraw/zinc/24/11/72/924241172.db2.gz HBNYWEIQHDIPOF-OAHLLOKOSA-N 2 2 288.395 1.219 20 30 CDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448570 924241178 /nfs/dbraw/zinc/24/11/78/924241178.db2.gz HBNYWEIQHDIPOF-OAHLLOKOSA-N 2 2 288.395 1.219 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085674571 926273033 /nfs/dbraw/zinc/27/30/33/926273033.db2.gz YOPZWIZTXSKULB-KGLIPLIRSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085674571 926273040 /nfs/dbraw/zinc/27/30/40/926273040.db2.gz YOPZWIZTXSKULB-KGLIPLIRSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085674571 926273046 /nfs/dbraw/zinc/27/30/46/926273046.db2.gz YOPZWIZTXSKULB-KGLIPLIRSA-N 2 2 265.401 1.189 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779190 937154294 /nfs/dbraw/zinc/15/42/94/937154294.db2.gz QIWGFXZJXBRYFK-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779190 937154295 /nfs/dbraw/zinc/15/42/95/937154295.db2.gz QIWGFXZJXBRYFK-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP N#Cc1ccc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc2n1 ZINC001169075767 927694726 /nfs/dbraw/zinc/69/47/26/927694726.db2.gz XEDHRQVUEMGUCX-GFCCVEGCSA-N 2 2 293.330 1.154 20 30 CDEDLP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001169122812 927729166 /nfs/dbraw/zinc/72/91/66/927729166.db2.gz DXWPYRLUDFSWOR-RNJOBUHISA-N 2 2 269.389 1.121 20 30 CDEDLP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NO ZINC001169122812 927729172 /nfs/dbraw/zinc/72/91/72/927729172.db2.gz DXWPYRLUDFSWOR-RNJOBUHISA-N 2 2 269.389 1.121 20 30 CDEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001171232769 932069885 /nfs/dbraw/zinc/06/98/85/932069885.db2.gz WIYLSHFUJMOUMZ-HNNXBMFYSA-N 2 2 298.434 1.421 20 30 CDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155743494 937670157 /nfs/dbraw/zinc/67/01/57/937670157.db2.gz HGILTIQMBZLSEI-CHWSQXEVSA-N 2 2 276.384 1.048 20 30 CDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155743494 937670159 /nfs/dbraw/zinc/67/01/59/937670159.db2.gz HGILTIQMBZLSEI-CHWSQXEVSA-N 2 2 276.384 1.048 20 30 CDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155743494 937670161 /nfs/dbraw/zinc/67/01/61/937670161.db2.gz HGILTIQMBZLSEI-CHWSQXEVSA-N 2 2 276.384 1.048 20 30 CDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155743494 937670163 /nfs/dbraw/zinc/67/01/63/937670163.db2.gz HGILTIQMBZLSEI-CHWSQXEVSA-N 2 2 276.384 1.048 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC)C1 ZINC001014780103 935550522 /nfs/dbraw/zinc/55/05/22/935550522.db2.gz PKHFMLUCPOEHSS-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC)C1 ZINC001014780103 935550525 /nfs/dbraw/zinc/55/05/25/935550525.db2.gz PKHFMLUCPOEHSS-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC)C1 ZINC001014780103 935550531 /nfs/dbraw/zinc/55/05/31/935550531.db2.gz PKHFMLUCPOEHSS-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC)C1 ZINC001014780103 935550535 /nfs/dbraw/zinc/55/05/35/935550535.db2.gz PKHFMLUCPOEHSS-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415792 935743851 /nfs/dbraw/zinc/74/38/51/935743851.db2.gz KNBMEVFTMSOPKM-CYBMUJFWSA-N 2 2 284.363 1.943 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415792 935743852 /nfs/dbraw/zinc/74/38/52/935743852.db2.gz KNBMEVFTMSOPKM-CYBMUJFWSA-N 2 2 284.363 1.943 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046332972 935941855 /nfs/dbraw/zinc/94/18/55/935941855.db2.gz UQBHLWGOTIZNPF-NFAWXSAZSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046332972 935941857 /nfs/dbraw/zinc/94/18/57/935941857.db2.gz UQBHLWGOTIZNPF-NFAWXSAZSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046332972 935941860 /nfs/dbraw/zinc/94/18/60/935941860.db2.gz UQBHLWGOTIZNPF-NFAWXSAZSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046332972 935941861 /nfs/dbraw/zinc/94/18/61/935941861.db2.gz UQBHLWGOTIZNPF-NFAWXSAZSA-N 2 2 299.846 1.660 20 30 CDEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001122291117 937918799 /nfs/dbraw/zinc/91/87/99/937918799.db2.gz XOEUSGPGYOICPR-UHFFFAOYSA-N 2 2 288.395 1.476 20 30 CDEDLP C[NH+]1CC2(CN(c3[nH+]ccc4[nH]cc(C#N)c43)C2)C1 ZINC001158866272 938673780 /nfs/dbraw/zinc/67/37/80/938673780.db2.gz MUPHFECCHILSLT-UHFFFAOYSA-N 2 2 253.309 1.186 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161308874 938886344 /nfs/dbraw/zinc/88/63/44/938886344.db2.gz FXGBFRHQKHGYHW-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP Cc1[nH+]cc2n1CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001165385769 939555010 /nfs/dbraw/zinc/55/50/10/939555010.db2.gz WCRBYSITSQQPAB-UHFFFAOYSA-N 2 2 278.319 1.960 20 30 CDEDLP C[C@H]1C[N@H+](Cc2cn3cc(C#N)ccc3n2)C[C@H]1C[NH3+] ZINC001205150425 939829382 /nfs/dbraw/zinc/82/93/82/939829382.db2.gz BPGDWNWIUGLCAR-WCQYABFASA-N 2 2 269.352 1.233 20 30 CDEDLP C[C@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)C[C@H]1C[NH3+] ZINC001205150425 939829387 /nfs/dbraw/zinc/82/93/87/939829387.db2.gz BPGDWNWIUGLCAR-WCQYABFASA-N 2 2 269.352 1.233 20 30 CDEDLP C#CCC[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205432547 939890094 /nfs/dbraw/zinc/89/00/94/939890094.db2.gz FJMZJWZIDFSWNO-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP C#CCC[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205432547 939890098 /nfs/dbraw/zinc/89/00/98/939890098.db2.gz FJMZJWZIDFSWNO-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP C#CC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679268 939916783 /nfs/dbraw/zinc/91/67/83/939916783.db2.gz CTBWRVJCOQSVLK-UHFFFAOYSA-N 2 2 296.374 1.409 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205787493 939936750 /nfs/dbraw/zinc/93/67/50/939936750.db2.gz HNLXXZDBPIOHLQ-GFCCVEGCSA-N 2 2 281.306 1.680 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205787493 939936753 /nfs/dbraw/zinc/93/67/53/939936753.db2.gz HNLXXZDBPIOHLQ-GFCCVEGCSA-N 2 2 281.306 1.680 20 30 CDEDLP N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218954024 941293514 /nfs/dbraw/zinc/29/35/14/941293514.db2.gz VNCQZHGVMVMEPM-VIFPVBQESA-N 2 2 286.257 1.192 20 30 CDEDLP C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220663474 941462775 /nfs/dbraw/zinc/46/27/75/941462775.db2.gz FYGRZTASBWZSRV-SCRDCRAPSA-N 2 2 289.379 1.118 20 30 CDEDLP CC(C)C[C@](C)(C#N)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001221292239 941513365 /nfs/dbraw/zinc/51/33/65/941513365.db2.gz HZKZFZGSVSLBRR-GOEBONIOSA-N 2 2 288.395 1.703 20 30 CDEDLP N#Cc1ccc2c(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)c[nH]c2c1 ZINC001235990242 944353165 /nfs/dbraw/zinc/35/31/65/944353165.db2.gz MCEQROIFZQSIRX-XJKSGUPXSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1ccc2c(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)c[nH]c2c1 ZINC001235990242 944353170 /nfs/dbraw/zinc/35/31/70/944353170.db2.gz MCEQROIFZQSIRX-XJKSGUPXSA-N 2 2 266.348 1.963 20 30 CDEDLP C=CCCCCCC[C@H](O)C[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246063067 947921993 /nfs/dbraw/zinc/92/19/93/947921993.db2.gz HHRHXJLKNUNLIW-GJZGRUSLSA-N 2 2 282.428 1.533 20 30 CDEDLP C=CCCCCCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246063067 947921998 /nfs/dbraw/zinc/92/19/98/947921998.db2.gz HHRHXJLKNUNLIW-GJZGRUSLSA-N 2 2 282.428 1.533 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001253205199 951802430 /nfs/dbraw/zinc/80/24/30/951802430.db2.gz ABNZSHJZOMVACR-BBRMVZONSA-N 2 2 275.396 1.912 20 30 CDEDLP COCC#CC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319680241 958685266 /nfs/dbraw/zinc/68/52/66/958685266.db2.gz JYYHSDOHLYQBIA-HNNXBMFYSA-N 2 2 273.380 1.916 20 30 CDEDLP COCC#CC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319680241 958685276 /nfs/dbraw/zinc/68/52/76/958685276.db2.gz JYYHSDOHLYQBIA-HNNXBMFYSA-N 2 2 273.380 1.916 20 30 CDEDLP C#CCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324013668 961106308 /nfs/dbraw/zinc/10/63/08/961106308.db2.gz CHCLALYWYCKTBN-UHFFFAOYSA-N 2 2 275.327 1.561 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001438818896 963559891 /nfs/dbraw/zinc/55/98/91/963559891.db2.gz ZSNMHMVAHBFJCC-CYBMUJFWSA-N 2 2 298.818 1.756 20 30 CDEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001341925031 963581396 /nfs/dbraw/zinc/58/13/96/963581396.db2.gz QESAYTSOMPNLHK-OAHLLOKOSA-N 2 2 285.391 1.115 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001440958469 964286708 /nfs/dbraw/zinc/28/67/08/964286708.db2.gz KJDMBWSYDSFKLL-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001440958469 964286720 /nfs/dbraw/zinc/28/67/20/964286720.db2.gz KJDMBWSYDSFKLL-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001444008012 965706496 /nfs/dbraw/zinc/70/64/96/965706496.db2.gz GWWVFMLACPAPOQ-SNVBAGLBSA-N 2 2 270.764 1.189 20 30 CDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100280802 967883688 /nfs/dbraw/zinc/88/36/88/967883688.db2.gz NPAOAWVUMOHETA-UHFFFAOYSA-N 2 2 296.802 1.579 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001353928880 968348316 /nfs/dbraw/zinc/34/83/16/968348316.db2.gz OVMWBJJWCGBJMY-AWEZNQCLSA-N 2 2 261.369 1.998 20 30 CDEDLP C[C@@]1(C[NH3+])CCCN(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001158678646 1163409999 /nfs/dbraw/zinc/40/99/99/1163409999.db2.gz LIHWQTLDJAUAQP-HNNXBMFYSA-N 2 2 269.352 2.000 20 30 CDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133195128 1163603500 /nfs/dbraw/zinc/60/35/00/1163603500.db2.gz OMAIOLQRQFMWKH-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP N#CCCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718783 342453614 /nfs/dbraw/zinc/45/36/14/342453614.db2.gz XWUVZIXDVZWTJT-HNNXBMFYSA-N 2 2 265.401 1.867 20 30 CDEDLP N#CCCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718783 342453615 /nfs/dbraw/zinc/45/36/15/342453615.db2.gz XWUVZIXDVZWTJT-HNNXBMFYSA-N 2 2 265.401 1.867 20 30 CDEDLP N#CCSCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595470773 343072938 /nfs/dbraw/zinc/07/29/38/343072938.db2.gz SEZFACDERJLYHL-HNNXBMFYSA-N 2 2 297.468 1.820 20 30 CDEDLP N#CCSCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595470773 343072939 /nfs/dbraw/zinc/07/29/39/343072939.db2.gz SEZFACDERJLYHL-HNNXBMFYSA-N 2 2 297.468 1.820 20 30 CDEDLP C#CCC[NH+]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000091480437 342404373 /nfs/dbraw/zinc/40/43/73/342404373.db2.gz YHPBMYVBLGRGEQ-UHFFFAOYSA-N 2 2 285.395 1.444 20 30 CDEDLP Cc1[nH+]cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)n1C ZINC000596982452 343429686 /nfs/dbraw/zinc/42/96/86/343429686.db2.gz BNDAKWFLNRQNRQ-UHFFFAOYSA-N 2 2 296.378 1.317 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603114452 344712043 /nfs/dbraw/zinc/71/20/43/344712043.db2.gz AMDABRKDHMMXKP-CQSZACIVSA-N 2 2 268.401 1.912 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603114452 344712045 /nfs/dbraw/zinc/71/20/45/344712045.db2.gz AMDABRKDHMMXKP-CQSZACIVSA-N 2 2 268.401 1.912 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449546779 362756525 /nfs/dbraw/zinc/75/65/25/362756525.db2.gz DTECKCHXFNFQDU-OSRDXIQISA-N 2 2 250.386 1.935 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449546779 362756528 /nfs/dbraw/zinc/75/65/28/362756528.db2.gz DTECKCHXFNFQDU-OSRDXIQISA-N 2 2 250.386 1.935 20 30 CDEDLP N#Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000610993962 346565632 /nfs/dbraw/zinc/56/56/32/346565632.db2.gz JSTXNPCWWYGJTA-UHFFFAOYSA-N 2 2 279.347 1.670 20 30 CDEDLP C=C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(=O)OC ZINC000619704193 347981922 /nfs/dbraw/zinc/98/19/22/347981922.db2.gz YPUGFNXWJWECBG-CYBMUJFWSA-N 2 2 252.358 1.178 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000619719687 348191649 /nfs/dbraw/zinc/19/16/49/348191649.db2.gz UPFWBBXKXGNKBV-YNEHKIRRSA-N 2 2 263.341 1.494 20 30 CDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000602517837 350116296 /nfs/dbraw/zinc/11/62/96/350116296.db2.gz JLMWQNCYOYXBLH-UHFFFAOYSA-N 2 2 270.380 1.917 20 30 CDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC1CC1 ZINC000264052022 362952944 /nfs/dbraw/zinc/95/29/44/362952944.db2.gz MULPXOYLEZVIPQ-UHFFFAOYSA-N 2 2 287.342 1.839 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086047 351412181 /nfs/dbraw/zinc/41/21/81/351412181.db2.gz RHFIKJXXDPBPCO-OLZOCXBDSA-N 2 2 253.390 1.271 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086047 351412184 /nfs/dbraw/zinc/41/21/84/351412184.db2.gz RHFIKJXXDPBPCO-OLZOCXBDSA-N 2 2 253.390 1.271 20 30 CDEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000566092716 357243464 /nfs/dbraw/zinc/24/34/64/357243464.db2.gz KKAQAIOVYHVHQD-WBVHZDCISA-N 2 2 285.391 1.904 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1C#N ZINC000261865384 357336201 /nfs/dbraw/zinc/33/62/01/357336201.db2.gz YLGTXOMKSHKSSN-HUUCEWRRSA-N 2 2 271.364 1.751 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1C#N ZINC000261865384 357336206 /nfs/dbraw/zinc/33/62/06/357336206.db2.gz YLGTXOMKSHKSSN-HUUCEWRRSA-N 2 2 271.364 1.751 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000294936578 199259083 /nfs/dbraw/zinc/25/90/83/199259083.db2.gz UWXNMLHXHPUDPJ-CALCHBBNSA-N 2 2 285.391 1.636 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000294991658 363632523 /nfs/dbraw/zinc/63/25/23/363632523.db2.gz LKVZLFXCMWJQJR-HNNXBMFYSA-N 2 2 285.391 1.639 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000294991658 363632530 /nfs/dbraw/zinc/63/25/30/363632530.db2.gz LKVZLFXCMWJQJR-HNNXBMFYSA-N 2 2 285.391 1.639 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448454 360695907 /nfs/dbraw/zinc/69/59/07/360695907.db2.gz MXFXZMZFWCYNIQ-GJZGRUSLSA-N 2 2 279.428 1.485 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448454 360695912 /nfs/dbraw/zinc/69/59/12/360695912.db2.gz MXFXZMZFWCYNIQ-GJZGRUSLSA-N 2 2 279.428 1.485 20 30 CDEDLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccc1C#N ZINC000300200132 361040371 /nfs/dbraw/zinc/04/03/71/361040371.db2.gz VKQRLPQWLAYBCH-DOMZBBRYSA-N 2 2 273.380 1.997 20 30 CDEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000300200132 361040374 /nfs/dbraw/zinc/04/03/74/361040374.db2.gz VKQRLPQWLAYBCH-DOMZBBRYSA-N 2 2 273.380 1.997 20 30 CDEDLP Cc1ccc(C#N)c(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000367430345 361411621 /nfs/dbraw/zinc/41/16/21/361411621.db2.gz OKRVZDWFYHOLPA-OAHLLOKOSA-N 2 2 299.422 1.842 20 30 CDEDLP Cc1ccc(C#N)c(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000367430345 361411625 /nfs/dbraw/zinc/41/16/25/361411625.db2.gz OKRVZDWFYHOLPA-OAHLLOKOSA-N 2 2 299.422 1.842 20 30 CDEDLP COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1C#N ZINC000087822847 361655426 /nfs/dbraw/zinc/65/54/26/361655426.db2.gz NRQJMUPXDODIBE-UHFFFAOYSA-N 2 2 270.336 1.943 20 30 CDEDLP C[C@H](CC#N)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)CC#N ZINC000161918527 377791605 /nfs/dbraw/zinc/79/16/05/377791605.db2.gz FQLOJBWAZDOOCJ-OKILXGFUSA-N 2 2 266.389 1.471 20 30 CDEDLP C[C@H](CC#N)[NH+](C)CCOCC[N@H+](C)[C@@H](C)CC#N ZINC000161918527 377791616 /nfs/dbraw/zinc/79/16/16/377791616.db2.gz FQLOJBWAZDOOCJ-OKILXGFUSA-N 2 2 266.389 1.471 20 30 CDEDLP C[C@H](CC#N)[N@@H+](C)CCOCC[NH+](C)[C@@H](C)CC#N ZINC000161918527 377791625 /nfs/dbraw/zinc/79/16/25/377791625.db2.gz FQLOJBWAZDOOCJ-OKILXGFUSA-N 2 2 266.389 1.471 20 30 CDEDLP C[C@H](CC#N)[N@H+](C)CCOCC[NH+](C)[C@@H](C)CC#N ZINC000161918527 377791628 /nfs/dbraw/zinc/79/16/28/377791628.db2.gz FQLOJBWAZDOOCJ-OKILXGFUSA-N 2 2 266.389 1.471 20 30 CDEDLP Cc1cc(C[NH+]=C(N(C)C)N(C)C)cc(N2CCCC2)[nH+]1 ZINC000262231575 391055144 /nfs/dbraw/zinc/05/51/44/391055144.db2.gz AHALGDKVZMQYCY-UHFFFAOYSA-N 2 2 289.427 1.969 20 30 CDEDLP CN(C(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C)C1CC1 ZINC000262239612 391058244 /nfs/dbraw/zinc/05/82/44/391058244.db2.gz NUGSFUBGJVXQCF-NSHDSACASA-N 2 2 266.414 1.760 20 30 CDEDLP C#CC[N@@H+](Cc1c[nH+]c(N(C)C)n1C)C1CCCC1 ZINC000491484779 391145382 /nfs/dbraw/zinc/14/53/82/391145382.db2.gz KUZSZTDOLASCOX-UHFFFAOYSA-N 2 2 260.385 1.864 20 30 CDEDLP C#CC[N@H+](Cc1c[nH+]c(N(C)C)n1C)C1CCCC1 ZINC000491484779 391145385 /nfs/dbraw/zinc/14/53/85/391145385.db2.gz KUZSZTDOLASCOX-UHFFFAOYSA-N 2 2 260.385 1.864 20 30 CDEDLP C=CC[NH+]1CCC(Nc2nc[nH+]c3c2OCCN3)CC1 ZINC000647867169 391109952 /nfs/dbraw/zinc/10/99/52/391109952.db2.gz ATAZDFBXIXSFKT-UHFFFAOYSA-N 2 2 275.356 1.343 20 30 CDEDLP C=CC[NH+]1CCC(Nc2[nH+]cnc3c2OCCN3)CC1 ZINC000647867169 391109955 /nfs/dbraw/zinc/10/99/55/391109955.db2.gz ATAZDFBXIXSFKT-UHFFFAOYSA-N 2 2 275.356 1.343 20 30 CDEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353429221 391652254 /nfs/dbraw/zinc/65/22/54/391652254.db2.gz TUEJTXNIZZZWJJ-RDJZCZTQSA-N 2 2 284.407 1.381 20 30 CDEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353429221 391652256 /nfs/dbraw/zinc/65/22/56/391652256.db2.gz TUEJTXNIZZZWJJ-RDJZCZTQSA-N 2 2 284.407 1.381 20 30 CDEDLP CN(C)C(=[NH+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)N(C)C ZINC000261986126 391748806 /nfs/dbraw/zinc/74/88/06/391748806.db2.gz JYFBMVRJGZRGQK-UHFFFAOYSA-N 2 2 289.358 1.991 20 30 CDEDLP CCc1ccc([C@@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)cc1 ZINC000262681949 391811978 /nfs/dbraw/zinc/81/19/78/391811978.db2.gz WPAOSJTXTJKTJA-SWLSCSKDSA-N 2 2 274.412 1.789 20 30 CDEDLP CCC[NH+]1CCC([NH+]2CCN(CCC#N)CC2)CC1 ZINC000372625833 391859534 /nfs/dbraw/zinc/85/95/34/391859534.db2.gz RPTIOSXETCEXLQ-UHFFFAOYSA-N 2 2 264.417 1.392 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000657334524 414172037 /nfs/dbraw/zinc/17/20/37/414172037.db2.gz CGKQGNUWYNNCAB-AWEZNQCLSA-N 2 2 277.416 1.674 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000657334524 414172047 /nfs/dbraw/zinc/17/20/47/414172047.db2.gz CGKQGNUWYNNCAB-AWEZNQCLSA-N 2 2 277.416 1.674 20 30 CDEDLP C[C@H]1C[NH+]=C(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)N1 ZINC000262662926 262781718 /nfs/dbraw/zinc/78/17/18/262781718.db2.gz NJERIRNHSRJCAD-GWCFXTLKSA-N 2 2 264.348 1.366 20 30 CDEDLP C=CC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121634321 263296595 /nfs/dbraw/zinc/29/65/95/263296595.db2.gz RTTJSYSGVANTPW-UHFFFAOYSA-N 2 2 288.395 1.238 20 30 CDEDLP C=CC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121634321 263296599 /nfs/dbraw/zinc/29/65/99/263296599.db2.gz RTTJSYSGVANTPW-UHFFFAOYSA-N 2 2 288.395 1.238 20 30 CDEDLP C=CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660713227 423943270 /nfs/dbraw/zinc/94/32/70/423943270.db2.gz QGEZTEAGILXCLZ-ZDUSSCGKSA-N 2 2 280.416 1.030 20 30 CDEDLP C=CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660713227 423943278 /nfs/dbraw/zinc/94/32/78/423943278.db2.gz QGEZTEAGILXCLZ-ZDUSSCGKSA-N 2 2 280.416 1.030 20 30 CDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCSC(C)(C)C1 ZINC000262022115 328143814 /nfs/dbraw/zinc/14/38/14/328143814.db2.gz WHIPFGBKAOHOGT-UHFFFAOYSA-N 2 2 295.456 1.676 20 30 CDEDLP CC[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)NC(C)C ZINC000172066534 329080595 /nfs/dbraw/zinc/08/05/95/329080595.db2.gz WEBVQANQWZECKR-UHFFFAOYSA-N 2 2 270.421 1.061 20 30 CDEDLP CC[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)NC(C)C ZINC000172066534 329080596 /nfs/dbraw/zinc/08/05/96/329080596.db2.gz WEBVQANQWZECKR-UHFFFAOYSA-N 2 2 270.421 1.061 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000177904994 329190196 /nfs/dbraw/zinc/19/01/96/329190196.db2.gz AESQNVSSADLGSG-UKRRQHHQSA-N 3 2 251.418 1.709 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000177904994 329190197 /nfs/dbraw/zinc/19/01/97/329190197.db2.gz AESQNVSSADLGSG-UKRRQHHQSA-N 3 2 251.418 1.709 20 30 CDEDLP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000177904994 329190198 /nfs/dbraw/zinc/19/01/98/329190198.db2.gz AESQNVSSADLGSG-UKRRQHHQSA-N 2 2 251.418 1.709 20 30 CDEDLP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000177904994 329190200 /nfs/dbraw/zinc/19/02/00/329190200.db2.gz AESQNVSSADLGSG-UKRRQHHQSA-N 2 2 251.418 1.709 20 30 CDEDLP N#CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000572512509 329904552 /nfs/dbraw/zinc/90/45/52/329904552.db2.gz WHXCPBWESTZJFM-ZIAGYGMSSA-N 2 2 251.374 1.258 20 30 CDEDLP CC[C@H](C)[NH2+][C@H](CNC1=[NH+]CCCN1C)c1ccco1 ZINC000263053991 330041014 /nfs/dbraw/zinc/04/10/14/330041014.db2.gz DTPHNEUVXUTKOZ-QWHCGFSZSA-N 2 2 278.400 1.990 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000491122617 332152977 /nfs/dbraw/zinc/15/29/77/332152977.db2.gz WYJZHDQKCYHVQE-RDJZCZTQSA-N 2 2 285.391 1.161 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000491122617 332152979 /nfs/dbraw/zinc/15/29/79/332152979.db2.gz WYJZHDQKCYHVQE-RDJZCZTQSA-N 2 2 285.391 1.161 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000491667162 332275357 /nfs/dbraw/zinc/27/53/57/332275357.db2.gz USJWAHOXJUDYLD-OAHLLOKOSA-N 2 2 285.391 1.115 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001030683917 1161051242 /nfs/dbraw/zinc/05/12/42/1161051242.db2.gz DOSRKXXPCHCOJQ-UHFFFAOYSA-N 2 2 270.336 1.324 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000730105413 574850371 /nfs/dbraw/zinc/85/03/71/574850371.db2.gz IELQLFOAPJBUQI-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000730105413 574850373 /nfs/dbraw/zinc/85/03/73/574850373.db2.gz IELQLFOAPJBUQI-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000730105413 574850376 /nfs/dbraw/zinc/85/03/76/574850376.db2.gz IELQLFOAPJBUQI-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000730105413 574850378 /nfs/dbraw/zinc/85/03/78/574850378.db2.gz IELQLFOAPJBUQI-OAGGEKHMSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735426624 575467590 /nfs/dbraw/zinc/46/75/90/575467590.db2.gz TVULORNRYDEZQJ-UHFFFAOYSA-N 2 2 298.394 1.607 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccccn2)cc1 ZINC000767542768 576202917 /nfs/dbraw/zinc/20/29/17/576202917.db2.gz GRWNSOLREFQTIF-UHFFFAOYSA-N 2 2 284.363 1.980 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH+](CC(C)C)CC(C)C)CC1 ZINC000746503353 576780523 /nfs/dbraw/zinc/78/05/23/576780523.db2.gz QPCTYLQPJYQWLT-UHFFFAOYSA-N 2 2 293.455 1.378 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957782503 613009696 /nfs/dbraw/zinc/00/96/96/613009696.db2.gz GCLODGRHNUTVAS-MRXNPFEDSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000951628257 613010451 /nfs/dbraw/zinc/01/04/51/613010451.db2.gz MKSKPTDJZCLEKQ-HZPDHXFCSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000951628257 613010452 /nfs/dbraw/zinc/01/04/52/613010452.db2.gz MKSKPTDJZCLEKQ-HZPDHXFCSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971788980 613085363 /nfs/dbraw/zinc/08/53/63/613085363.db2.gz UBCAJIYUFOIRIW-CYBMUJFWSA-N 2 2 282.347 1.342 20 30 CDEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971788980 613085364 /nfs/dbraw/zinc/08/53/64/613085364.db2.gz UBCAJIYUFOIRIW-CYBMUJFWSA-N 2 2 282.347 1.342 20 30 CDEDLP C#CC[NH+]1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969674884 613126577 /nfs/dbraw/zinc/12/65/77/613126577.db2.gz RFFQITWXSQLFKS-ZDUSSCGKSA-N 2 2 296.374 1.326 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000950466165 613294571 /nfs/dbraw/zinc/29/45/71/613294571.db2.gz LORPPNCAVCFIIC-INIZCTEOSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000950466165 613294572 /nfs/dbraw/zinc/29/45/72/613294572.db2.gz LORPPNCAVCFIIC-INIZCTEOSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948090607 613335494 /nfs/dbraw/zinc/33/54/94/613335494.db2.gz LXNGEOVHJSMGBN-KBPBESRZSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948090607 613335495 /nfs/dbraw/zinc/33/54/95/613335495.db2.gz LXNGEOVHJSMGBN-KBPBESRZSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000981161719 613698349 /nfs/dbraw/zinc/69/83/49/613698349.db2.gz CJWYXIDAYAYJPD-UHFFFAOYSA-N 2 2 298.390 1.977 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000981161719 613698351 /nfs/dbraw/zinc/69/83/51/613698351.db2.gz CJWYXIDAYAYJPD-UHFFFAOYSA-N 2 2 298.390 1.977 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948811997 613704086 /nfs/dbraw/zinc/70/40/86/613704086.db2.gz CWZNUMKCSPPSAA-AWEZNQCLSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948811997 613704088 /nfs/dbraw/zinc/70/40/88/613704088.db2.gz CWZNUMKCSPPSAA-AWEZNQCLSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980190537 613820216 /nfs/dbraw/zinc/82/02/16/613820216.db2.gz CTYGVRCBAZNLGV-MELADBBJSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980190537 613820217 /nfs/dbraw/zinc/82/02/17/613820217.db2.gz CTYGVRCBAZNLGV-MELADBBJSA-N 2 2 288.395 1.355 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000969910493 613864654 /nfs/dbraw/zinc/86/46/54/613864654.db2.gz FJUCIKAUDBOQFI-VXGBXAGGSA-N 2 2 274.368 1.206 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000900690995 623377658 /nfs/dbraw/zinc/37/76/58/623377658.db2.gz UMWWFXGSKUVINN-OAHLLOKOSA-N 2 2 290.411 1.767 20 30 CDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@@](C)(CC)C1 ZINC000261783817 685572367 /nfs/dbraw/zinc/57/23/67/685572367.db2.gz POWXLVFVVBSZOS-OAHLLOKOSA-N 2 2 277.416 1.971 20 30 CDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCSCC1)c1ccccc1 ZINC000303696149 684309892 /nfs/dbraw/zinc/30/98/92/684309892.db2.gz DZCKWQMXNWADLP-AWEZNQCLSA-N 2 2 292.452 1.653 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001000336948 684428830 /nfs/dbraw/zinc/42/88/30/684428830.db2.gz PRIFFIBHJOJMOL-UONOGXRCSA-N 2 2 276.384 1.601 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001026366844 684706255 /nfs/dbraw/zinc/70/62/55/684706255.db2.gz QZAITHHMOIFEIK-NWANDNLSSA-N 2 2 288.395 1.355 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001044004071 684816077 /nfs/dbraw/zinc/81/60/77/684816077.db2.gz ZEEGTLJQPHWPNH-OAHLLOKOSA-N 2 2 291.439 1.417 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]12 ZINC001026432521 684829307 /nfs/dbraw/zinc/82/93/07/684829307.db2.gz UNQUKEYSPLUZFC-QLFBSQMISA-N 2 2 288.395 1.286 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001036049731 685825401 /nfs/dbraw/zinc/82/54/01/685825401.db2.gz YJDKRRIZPBYMKG-JSGCOSHPSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001036049731 685825403 /nfs/dbraw/zinc/82/54/03/685825403.db2.gz YJDKRRIZPBYMKG-JSGCOSHPSA-N 2 2 276.384 1.355 20 30 CDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C ZINC001032736686 685864114 /nfs/dbraw/zinc/86/41/14/685864114.db2.gz YJSIWDHVWZJEHI-KBPBESRZSA-N 2 2 298.390 1.070 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C ZINC001032736686 685864117 /nfs/dbraw/zinc/86/41/17/685864117.db2.gz YJSIWDHVWZJEHI-KBPBESRZSA-N 2 2 298.390 1.070 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001032837227 685866992 /nfs/dbraw/zinc/86/69/92/685866992.db2.gz PNIRGCCMLVPKFC-ZNMIVQPWSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC001032837227 685866993 /nfs/dbraw/zinc/86/69/93/685866993.db2.gz PNIRGCCMLVPKFC-ZNMIVQPWSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001032837227 685866995 /nfs/dbraw/zinc/86/69/95/685866995.db2.gz PNIRGCCMLVPKFC-ZNMIVQPWSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001032837227 685866999 /nfs/dbraw/zinc/86/69/99/685866999.db2.gz PNIRGCCMLVPKFC-ZNMIVQPWSA-N 2 2 295.402 1.023 20 30 CDEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001054662849 685915381 /nfs/dbraw/zinc/91/53/81/685915381.db2.gz UJVMVVXIPZPYJB-SWLSCSKDSA-N 2 2 296.374 1.326 20 30 CDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)nc1 ZINC000783299479 686145127 /nfs/dbraw/zinc/14/51/27/686145127.db2.gz CQZAWPQFUWGULL-UHFFFAOYSA-N 2 2 270.380 1.917 20 30 CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001074927888 686276812 /nfs/dbraw/zinc/27/68/12/686276812.db2.gz VTMNXIZREIBDOB-IHRRRGAJSA-N 2 2 274.368 1.046 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038463436 686490973 /nfs/dbraw/zinc/49/09/73/686490973.db2.gz VBFGVJBWYJKVDN-AWEZNQCLSA-N 2 2 284.363 1.715 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038463436 686490980 /nfs/dbraw/zinc/49/09/80/686490980.db2.gz VBFGVJBWYJKVDN-AWEZNQCLSA-N 2 2 284.363 1.715 20 30 CDEDLP CCN(CC)C(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303783249 686776894 /nfs/dbraw/zinc/77/68/94/686776894.db2.gz ODHJLCPUQPFLFW-CHWSQXEVSA-N 2 2 284.448 1.531 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001022274059 686802001 /nfs/dbraw/zinc/80/20/01/686802001.db2.gz JOVMRCNPHAVMAP-BETUJISGSA-N 2 2 275.352 1.056 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038393865 687382770 /nfs/dbraw/zinc/38/27/70/687382770.db2.gz KKNTVFVIWBJGLL-HNNXBMFYSA-N 2 2 289.423 1.076 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038393865 687382776 /nfs/dbraw/zinc/38/27/76/687382776.db2.gz KKNTVFVIWBJGLL-HNNXBMFYSA-N 2 2 289.423 1.076 20 30 CDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034277905 687464490 /nfs/dbraw/zinc/46/44/90/687464490.db2.gz UGNUJVWADQCYAT-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034277905 687464499 /nfs/dbraw/zinc/46/44/99/687464499.db2.gz UGNUJVWADQCYAT-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000328178354 687750148 /nfs/dbraw/zinc/75/01/48/687750148.db2.gz MNCVMPFVFMLABB-UHFFFAOYSA-N 2 2 261.325 1.640 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000328178354 687750154 /nfs/dbraw/zinc/75/01/54/687750154.db2.gz MNCVMPFVFMLABB-UHFFFAOYSA-N 2 2 261.325 1.640 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000322227 687882426 /nfs/dbraw/zinc/88/24/26/687882426.db2.gz WCBILIJOAXTQGU-GFCCVEGCSA-N 2 2 262.357 1.109 20 30 CDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001018100146 688021446 /nfs/dbraw/zinc/02/14/46/688021446.db2.gz YORNBQBTGAOYAH-IYBDPMFKSA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001018100146 688021452 /nfs/dbraw/zinc/02/14/52/688021452.db2.gz YORNBQBTGAOYAH-IYBDPMFKSA-N 2 2 289.423 1.027 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038714621 688193637 /nfs/dbraw/zinc/19/36/37/688193637.db2.gz BBTHXGYGWKQYOC-MGPQQGTHSA-N 2 2 288.395 1.290 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038714621 688193646 /nfs/dbraw/zinc/19/36/46/688193646.db2.gz BBTHXGYGWKQYOC-MGPQQGTHSA-N 2 2 288.395 1.290 20 30 CDEDLP C=C(C)CC[NH2+]CCN(CC)C(=O)Cc1c[nH+]cn1C ZINC001754081290 1158741121 /nfs/dbraw/zinc/74/11/21/1158741121.db2.gz WLGMIMVWMPGIHL-UHFFFAOYSA-N 2 2 278.400 1.367 20 30 CDEDLP C[C@@H]1CNC(NN=C2CC[N@H+](Cc3ccccc3)[C@@H]2C)=[NH+]1 ZINC000811646908 1163510643 /nfs/dbraw/zinc/51/06/43/1163510643.db2.gz QBUYQKGVKANMJW-CHWSQXEVSA-N 2 2 285.395 1.574 20 30 CDEDLP C[C@@H]1CNC(NN=C2CC[N@@H+](Cc3ccccc3)[C@@H]2C)=[NH+]1 ZINC000811646908 1163510652 /nfs/dbraw/zinc/51/06/52/1163510652.db2.gz QBUYQKGVKANMJW-CHWSQXEVSA-N 2 2 285.395 1.574 20 30 CDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001178932761 1164320855 /nfs/dbraw/zinc/32/08/55/1164320855.db2.gz RUEHGHRZOJNWSI-DGAVXFQQSA-N 2 2 286.379 1.116 20 30 CDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001178932761 1164320881 /nfs/dbraw/zinc/32/08/81/1164320881.db2.gz RUEHGHRZOJNWSI-DGAVXFQQSA-N 2 2 286.379 1.116 20 30 CDEDLP N#Cc1ccc2cc[nH+]c(NC[C@]34C[NH2+]C[C@H]3COC4)c2c1 ZINC001155517307 1167209141 /nfs/dbraw/zinc/20/91/41/1167209141.db2.gz UQRZUBPCNMJXBO-YOEHRIQHSA-N 2 2 294.358 1.754 20 30 CDEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)C[NH2+]C ZINC001574933102 1171053549 /nfs/dbraw/zinc/05/35/49/1171053549.db2.gz KSSGFQNMMFASGW-AWEZNQCLSA-N 2 2 264.369 1.264 20 30 CDEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)C[NH2+]C ZINC001574933102 1171053557 /nfs/dbraw/zinc/05/35/57/1171053557.db2.gz KSSGFQNMMFASGW-AWEZNQCLSA-N 2 2 264.369 1.264 20 30 CDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001752959892 1178151644 /nfs/dbraw/zinc/15/16/44/1178151644.db2.gz YKKNJEZZVJPPJC-ZDUSSCGKSA-N 2 2 288.395 1.149 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752809151 1184918715 /nfs/dbraw/zinc/91/87/15/1184918715.db2.gz PDHGOUPFTUNPLN-ZDUSSCGKSA-N 2 2 276.384 1.357 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)CC[NH+](C)C ZINC001753086662 1185051635 /nfs/dbraw/zinc/05/16/35/1185051635.db2.gz BWOZJXSDYDLWPK-UHFFFAOYSA-N 2 2 261.797 1.129 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)CC[NH+](C)C ZINC001753086662 1185051638 /nfs/dbraw/zinc/05/16/38/1185051638.db2.gz BWOZJXSDYDLWPK-UHFFFAOYSA-N 2 2 261.797 1.129 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001753456781 1185217022 /nfs/dbraw/zinc/21/70/22/1185217022.db2.gz CUOAJPMXQYUASD-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001753456781 1185217029 /nfs/dbraw/zinc/21/70/29/1185217029.db2.gz CUOAJPMXQYUASD-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001753891537 1185383994 /nfs/dbraw/zinc/38/39/94/1185383994.db2.gz MNMBSMYNOWITAO-CABCVRRESA-N 2 2 290.411 1.724 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001753893133 1185385137 /nfs/dbraw/zinc/38/51/37/1185385137.db2.gz HDEAIFZWSXKQPG-GXTWGEPZSA-N 2 2 276.384 1.403 20 30 CDEDLP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755239500 1185870745 /nfs/dbraw/zinc/87/07/45/1185870745.db2.gz CPMXZFXOORGKNT-KBPBESRZSA-N 2 2 290.411 1.433 20 30 CDEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205724955 1164404719 /nfs/dbraw/zinc/40/47/19/1164404719.db2.gz BIVNZFBENMVJDJ-OAHLLOKOSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205724955 1164404721 /nfs/dbraw/zinc/40/47/21/1164404721.db2.gz BIVNZFBENMVJDJ-OAHLLOKOSA-N 2 2 293.798 1.887 20 30 CDEDLP Cc1ccnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c1C#N ZINC001155373192 1167145073 /nfs/dbraw/zinc/14/50/73/1167145073.db2.gz NKJRSRGWOADSBH-CQSZACIVSA-N 2 2 285.395 1.121 20 30 CDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203494146 913349653 /nfs/dbraw/zinc/34/96/53/913349653.db2.gz KMBSWEJNDUZFPI-UHFFFAOYSA-N 2 2 290.411 1.807 20 30 CDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176164916 913988522 /nfs/dbraw/zinc/98/85/22/913988522.db2.gz FKMKABBPTIBGTL-CYBMUJFWSA-N 2 2 278.400 1.413 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000694017199 897945936 /nfs/dbraw/zinc/94/59/36/897945936.db2.gz YFWYSFZCULIWGC-UHFFFAOYSA-N 2 2 256.353 1.608 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000694017199 897945947 /nfs/dbraw/zinc/94/59/47/897945947.db2.gz YFWYSFZCULIWGC-UHFFFAOYSA-N 2 2 256.353 1.608 20 30 CDEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCC[C@H](C)C1 ZINC000261719812 902497230 /nfs/dbraw/zinc/49/72/30/902497230.db2.gz NGZXBEVEHHKMSB-ZDUSSCGKSA-N 2 2 252.406 1.390 20 30 CDEDLP C=CCN(CC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1)C(=O)OCC ZINC001206154310 911182577 /nfs/dbraw/zinc/18/25/77/911182577.db2.gz IUPPMZWDZZIDNG-STQMWFEESA-N 2 2 287.379 1.392 20 30 CDEDLP C=CCN(CC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1)C(=O)OCC ZINC001206154310 911182588 /nfs/dbraw/zinc/18/25/88/911182588.db2.gz IUPPMZWDZZIDNG-STQMWFEESA-N 2 2 287.379 1.392 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206370597 915764724 /nfs/dbraw/zinc/76/47/24/915764724.db2.gz NCXYOLIOHKEYPM-OAHLLOKOSA-N 2 2 277.343 1.917 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206370597 915764741 /nfs/dbraw/zinc/76/47/41/915764741.db2.gz NCXYOLIOHKEYPM-OAHLLOKOSA-N 2 2 277.343 1.917 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180276174 916232687 /nfs/dbraw/zinc/23/26/87/916232687.db2.gz OBZZFQRGTXIVDY-GJZGRUSLSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C[NH+]1CCCC1)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001183039022 918267669 /nfs/dbraw/zinc/26/76/69/918267669.db2.gz LERPGLHARVOEEO-UHFFFAOYSA-N 2 2 271.364 1.583 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184273632 918965034 /nfs/dbraw/zinc/96/50/34/918965034.db2.gz LWJOTJGFGXRCLG-UONOGXRCSA-N 2 2 290.411 1.603 20 30 CDEDLP C[N@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404703 936618273 /nfs/dbraw/zinc/61/82/73/936618273.db2.gz WJMCWVSAPZWOLK-UHFFFAOYSA-N 2 2 272.396 1.784 20 30 CDEDLP C[N@@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404703 936618275 /nfs/dbraw/zinc/61/82/75/936618275.db2.gz WJMCWVSAPZWOLK-UHFFFAOYSA-N 2 2 272.396 1.784 20 30 CDEDLP COc1c(NC(=[NH2+])N2CC[NH+](C)CC2)ccc(F)c1C#N ZINC001168746348 922021402 /nfs/dbraw/zinc/02/14/02/922021402.db2.gz LDPAFWUAYCKQMD-UHFFFAOYSA-N 2 2 291.330 1.300 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452822 925257775 /nfs/dbraw/zinc/25/77/75/925257775.db2.gz YSYOOSULJARZFZ-MLGOLLRUSA-N 2 2 294.358 1.342 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452822 925257783 /nfs/dbraw/zinc/25/77/83/925257783.db2.gz YSYOOSULJARZFZ-MLGOLLRUSA-N 2 2 294.358 1.342 20 30 CDEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368438 925404893 /nfs/dbraw/zinc/40/48/93/925404893.db2.gz WHHBQQROIWKLDA-HNNXBMFYSA-N 2 2 290.411 1.772 20 30 CDEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368438 925404896 /nfs/dbraw/zinc/40/48/96/925404896.db2.gz WHHBQQROIWKLDA-HNNXBMFYSA-N 2 2 290.411 1.772 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086126394 926733255 /nfs/dbraw/zinc/73/32/55/926733255.db2.gz ZRLXTVMYLSCYHX-MELADBBJSA-N 2 2 288.395 1.116 20 30 CDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086732876 930180448 /nfs/dbraw/zinc/18/04/48/930180448.db2.gz IPQQFIVFKFDWIZ-GXTWGEPZSA-N 2 2 296.374 1.684 20 30 CDEDLP CC#CC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790589 937420219 /nfs/dbraw/zinc/42/02/19/937420219.db2.gz UQMVIJSXFRGXFR-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cn1 ZINC001275032036 931638064 /nfs/dbraw/zinc/63/80/64/931638064.db2.gz HANMUSHLPLDKPJ-GOOCMWNKSA-N 2 2 256.353 1.668 20 30 CDEDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cn1 ZINC001275032036 931638065 /nfs/dbraw/zinc/63/80/65/931638065.db2.gz HANMUSHLPLDKPJ-GOOCMWNKSA-N 2 2 256.353 1.668 20 30 CDEDLP C[NH+](C)CCN1CCC12C[NH+](Cc1cccc(C#N)c1)C2 ZINC001275290263 931725208 /nfs/dbraw/zinc/72/52/08/931725208.db2.gz CKDPOVIBHVCFRQ-UHFFFAOYSA-N 2 2 284.407 1.380 20 30 CDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315114 937529813 /nfs/dbraw/zinc/52/98/13/937529813.db2.gz OMHXMGMJWFNSRN-CQSZACIVSA-N 2 2 298.390 1.798 20 30 CDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315114 937529814 /nfs/dbraw/zinc/52/98/14/937529814.db2.gz OMHXMGMJWFNSRN-CQSZACIVSA-N 2 2 298.390 1.798 20 30 CDEDLP C#CCCC[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001275975987 932192060 /nfs/dbraw/zinc/19/20/60/932192060.db2.gz VCBLWYMAZGXTAS-JKSUJKDBSA-N 2 2 272.396 1.303 20 30 CDEDLP C#CCCC[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001275975987 932192064 /nfs/dbraw/zinc/19/20/64/932192064.db2.gz VCBLWYMAZGXTAS-JKSUJKDBSA-N 2 2 272.396 1.303 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146778136 932299580 /nfs/dbraw/zinc/29/95/80/932299580.db2.gz HTEKRNTVVUBKET-NWDGAFQWSA-N 2 2 284.791 1.509 20 30 CDEDLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C#N)c(OC)c3)C[C@@H]2C1 ZINC001238417228 945173232 /nfs/dbraw/zinc/17/32/32/945173232.db2.gz ZNRLBXVLCULIPZ-HOTGVXAUSA-N 2 2 285.391 1.950 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001158506181 938631241 /nfs/dbraw/zinc/63/12/41/938631241.db2.gz IXTGYUDHKZZLFO-CQSZACIVSA-N 2 2 291.399 1.072 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158506181 938631242 /nfs/dbraw/zinc/63/12/42/938631242.db2.gz IXTGYUDHKZZLFO-CQSZACIVSA-N 2 2 291.399 1.072 20 30 CDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158750228 938659756 /nfs/dbraw/zinc/65/97/56/938659756.db2.gz GGFKFFBDMDFMBC-CQSZACIVSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158750228 938659757 /nfs/dbraw/zinc/65/97/57/938659757.db2.gz GGFKFFBDMDFMBC-CQSZACIVSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC001204847949 939798581 /nfs/dbraw/zinc/79/85/81/939798581.db2.gz IHLCXNLMWKGCIZ-CQSZACIVSA-N 2 2 295.427 1.834 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1F ZINC001205734193 939929476 /nfs/dbraw/zinc/92/94/76/939929476.db2.gz CFIDAKCNLNGCTG-OAHLLOKOSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1F ZINC001205734193 939929478 /nfs/dbraw/zinc/92/94/78/939929478.db2.gz CFIDAKCNLNGCTG-OAHLLOKOSA-N 2 2 277.343 1.373 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1F ZINC001206214211 939999134 /nfs/dbraw/zinc/99/91/34/939999134.db2.gz XWJAHWQXUNGHHT-CHWSQXEVSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1F ZINC001206214211 939999138 /nfs/dbraw/zinc/99/91/38/939999138.db2.gz XWJAHWQXUNGHHT-CHWSQXEVSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1c2ccccc2sc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218649119 941251800 /nfs/dbraw/zinc/25/18/00/941251800.db2.gz RVPFJPIDZKGKDM-KCJUWKMLSA-N 2 2 286.360 1.401 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228408364 942311828 /nfs/dbraw/zinc/31/18/28/942311828.db2.gz RDOAXNXCOFTIRH-UHFFFAOYSA-N 2 2 290.411 1.509 20 30 CDEDLP CCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001235776646 944274606 /nfs/dbraw/zinc/27/46/06/944274606.db2.gz UDTUKFSHGFLBLD-CHWSQXEVSA-N 2 2 256.390 1.779 20 30 CDEDLP CCCCCCC[N@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001235776646 944274616 /nfs/dbraw/zinc/27/46/16/944274616.db2.gz UDTUKFSHGFLBLD-CHWSQXEVSA-N 2 2 256.390 1.779 20 30 CDEDLP C[NH+]1CC2(C1)CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001278074553 944708279 /nfs/dbraw/zinc/70/82/79/944708279.db2.gz GLPAORRWYWIHKI-UHFFFAOYSA-N 2 2 283.375 1.769 20 30 CDEDLP CC[C@@H](CC#N)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001255174138 947766161 /nfs/dbraw/zinc/76/61/61/947766161.db2.gz RYYXEBQCWHBFMQ-HNNXBMFYSA-N 2 2 292.427 1.165 20 30 CDEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001246029647 947909876 /nfs/dbraw/zinc/90/98/76/947909876.db2.gz RPCHHXPCKWVNPU-IRXDYDNUSA-N 2 2 295.471 1.463 20 30 CDEDLP C=CCCCCCC[C@H](O)C[N@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001246029647 947909879 /nfs/dbraw/zinc/90/98/79/947909879.db2.gz RPCHHXPCKWVNPU-IRXDYDNUSA-N 2 2 295.471 1.463 20 30 CDEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246089713 947939228 /nfs/dbraw/zinc/93/92/28/947939228.db2.gz DHKIBLPESSCOHI-DFBGVHRSSA-N 2 2 261.344 1.779 20 30 CDEDLP C[C@H]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[NH2+]1 ZINC001246329511 948109756 /nfs/dbraw/zinc/10/97/56/948109756.db2.gz PTGRBYFHMBGOSK-JSGCOSHPSA-N 2 2 259.353 1.667 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246593211 948330251 /nfs/dbraw/zinc/33/02/51/948330251.db2.gz NJZLSZCMKVCJNQ-GVDBMIGSSA-N 2 2 284.407 1.147 20 30 CDEDLP C[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001256535684 948339289 /nfs/dbraw/zinc/33/92/89/948339289.db2.gz ADLZOTSQTXXJIM-KBAYOESNSA-N 2 2 298.434 1.837 20 30 CDEDLP C[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256535684 948339294 /nfs/dbraw/zinc/33/92/94/948339294.db2.gz ADLZOTSQTXXJIM-KBAYOESNSA-N 2 2 298.434 1.837 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246704255 948411428 /nfs/dbraw/zinc/41/14/28/948411428.db2.gz PXFWSGCXEFTQIM-VYDXJSESSA-N 2 2 291.439 1.627 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246704255 948411430 /nfs/dbraw/zinc/41/14/30/948411430.db2.gz PXFWSGCXEFTQIM-VYDXJSESSA-N 2 2 291.439 1.627 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246887411 948503300 /nfs/dbraw/zinc/50/33/00/948503300.db2.gz NJZLSZCMKVCJNQ-ZACQAIPSSA-N 2 2 284.407 1.147 20 30 CDEDLP C=C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001253598683 951986250 /nfs/dbraw/zinc/98/62/50/951986250.db2.gz WKSBBWFYGKIMDD-INIZCTEOSA-N 2 2 276.380 1.155 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001441941220 964798629 /nfs/dbraw/zinc/79/86/29/964798629.db2.gz UYIPRXUFGIRHFG-NSHDSACASA-N 2 2 270.764 1.120 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001448802070 967262340 /nfs/dbraw/zinc/26/23/40/967262340.db2.gz ZMCFJFIUAFHCFF-ZDUSSCGKSA-N 2 2 298.818 1.852 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001373823612 973656955 /nfs/dbraw/zinc/65/69/55/973656955.db2.gz YODFAEVQULIILB-NSHDSACASA-N 2 2 284.791 1.498 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376350380 974636166 /nfs/dbraw/zinc/63/61/66/974636166.db2.gz RYIYNINLNIXYOV-RYUDHWBXSA-N 2 2 296.802 1.531 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001382346287 977259864 /nfs/dbraw/zinc/25/98/64/977259864.db2.gz JDHFFTFVBAAYEY-VXGBXAGGSA-N 2 2 296.802 1.579 20 30 CDEDLP C#CC[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001574637224 1170997367 /nfs/dbraw/zinc/99/73/67/1170997367.db2.gz KEISAYSSWXJWPO-INIZCTEOSA-N 2 2 294.345 1.685 20 30 CDEDLP C#CC[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001574637224 1170997370 /nfs/dbraw/zinc/99/73/70/1170997370.db2.gz KEISAYSSWXJWPO-INIZCTEOSA-N 2 2 294.345 1.685 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000591764819 342645868 /nfs/dbraw/zinc/64/58/68/342645868.db2.gz KOBPIIMTNXQJPT-NVXWUHKLSA-N 2 2 285.391 1.590 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000591764819 342645869 /nfs/dbraw/zinc/64/58/69/342645869.db2.gz KOBPIIMTNXQJPT-NVXWUHKLSA-N 2 2 285.391 1.590 20 30 CDEDLP CC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1cccc(C#N)c1 ZINC000311973622 342166095 /nfs/dbraw/zinc/16/60/95/342166095.db2.gz PJOPQQHMSLAXJV-OAHLLOKOSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1cccc(C#N)c1 ZINC000311973622 342166096 /nfs/dbraw/zinc/16/60/96/342166096.db2.gz PJOPQQHMSLAXJV-OAHLLOKOSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000311973622 342166097 /nfs/dbraw/zinc/16/60/97/342166097.db2.gz PJOPQQHMSLAXJV-OAHLLOKOSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000311973622 342166098 /nfs/dbraw/zinc/16/60/98/342166098.db2.gz PJOPQQHMSLAXJV-OAHLLOKOSA-N 2 2 261.369 1.303 20 30 CDEDLP C=CCCSCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000594960899 342984254 /nfs/dbraw/zinc/98/42/54/342984254.db2.gz ZXZIYSJSIHJWQY-UHFFFAOYSA-N 2 2 268.430 1.885 20 30 CDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCC#N)c2)CC1 ZINC000601802893 344246632 /nfs/dbraw/zinc/24/66/32/344246632.db2.gz DKQJZAPQBSLRLL-UHFFFAOYSA-N 2 2 287.367 1.466 20 30 CDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC#N)C2)CC1 ZINC000610250274 346229811 /nfs/dbraw/zinc/22/98/11/346229811.db2.gz LKYDCYDXWYPWSO-CQSZACIVSA-N 2 2 250.390 1.000 20 30 CDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC#N)C2)CC1 ZINC000610250274 346229812 /nfs/dbraw/zinc/22/98/12/346229812.db2.gz LKYDCYDXWYPWSO-CQSZACIVSA-N 2 2 250.390 1.000 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813460 346444862 /nfs/dbraw/zinc/44/48/62/346444862.db2.gz HVENHMLVDKUNNN-DOMZBBRYSA-N 2 2 262.401 1.047 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813460 346444865 /nfs/dbraw/zinc/44/48/65/346444865.db2.gz HVENHMLVDKUNNN-DOMZBBRYSA-N 2 2 262.401 1.047 20 30 CDEDLP COc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000611235635 346704347 /nfs/dbraw/zinc/70/43/47/346704347.db2.gz ZJXIOEVBFKJAJD-KBPBESRZSA-N 2 2 257.337 1.218 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NCCn1c(C)[nH+]c2ccccc21 ZINC000264071030 362957610 /nfs/dbraw/zinc/95/76/10/362957610.db2.gz GEUMNFJRIFGGSK-LLVKDONJSA-N 2 2 289.383 1.284 20 30 CDEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000264128623 362974509 /nfs/dbraw/zinc/97/45/09/362974509.db2.gz SULXVGQUVFIRGO-HNNXBMFYSA-N 2 2 292.427 1.954 20 30 CDEDLP N#Cc1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)nc1 ZINC000182698590 357447406 /nfs/dbraw/zinc/44/74/06/357447406.db2.gz MFWVLYPBIPFNCF-UHFFFAOYSA-N 2 2 296.378 1.362 20 30 CDEDLP C[C@H](C[NH2+]Cc1ccc(C#N)s1)C[NH+]1CCOCC1 ZINC000176973520 189018101 /nfs/dbraw/zinc/01/81/01/189018101.db2.gz RIABWVGFWAFSBI-GFCCVEGCSA-N 2 2 279.409 1.678 20 30 CDEDLP N#CCC[C@@H](C#N)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000112559833 360540606 /nfs/dbraw/zinc/54/06/06/360540606.db2.gz KETGSXPKAYSBKV-INIZCTEOSA-N 2 2 290.411 1.474 20 30 CDEDLP C=CC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435690216 361430605 /nfs/dbraw/zinc/43/06/05/361430605.db2.gz BZDQTMXXFLZWTC-ZDUSSCGKSA-N 2 2 260.385 1.550 20 30 CDEDLP C=CC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435690216 361430609 /nfs/dbraw/zinc/43/06/09/361430609.db2.gz BZDQTMXXFLZWTC-ZDUSSCGKSA-N 2 2 260.385 1.550 20 30 CDEDLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000581997384 364060627 /nfs/dbraw/zinc/06/06/27/364060627.db2.gz CNDNYDJNVIXCKX-SJLPKXTDSA-N 2 2 298.434 1.819 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000638523346 370734238 /nfs/dbraw/zinc/73/42/38/370734238.db2.gz AACQIPADARRQRA-UHFFFAOYSA-N 2 2 289.379 1.593 20 30 CDEDLP CN(C)C(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000170906068 365158094 /nfs/dbraw/zinc/15/80/94/365158094.db2.gz FOFKTKVRLKOGIE-LBPRGKRZSA-N 2 2 264.373 1.683 20 30 CDEDLP CCc1ccc([C@@H](CNC(=[NH2+])N(C)C)[NH+](C)C)cc1 ZINC000170906491 365159583 /nfs/dbraw/zinc/15/95/83/365159583.db2.gz YBMPOEYTXSRVRC-CQSZACIVSA-N 2 2 262.401 1.728 20 30 CDEDLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000361554060 367614647 /nfs/dbraw/zinc/61/46/47/367614647.db2.gz RJKPQGJLXCLPSH-UHFFFAOYSA-N 2 2 295.390 1.922 20 30 CDEDLP C=CC[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC000171633080 367648303 /nfs/dbraw/zinc/64/83/03/367648303.db2.gz VQVNQZMGEGWFJR-UHFFFAOYSA-N 2 2 272.356 1.426 20 30 CDEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C#N)s1 ZINC000347782408 372331422 /nfs/dbraw/zinc/33/14/22/372331422.db2.gz WEPVEVYFSUFZFH-LBPRGKRZSA-N 2 2 279.409 1.820 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173909564 372546478 /nfs/dbraw/zinc/54/64/78/372546478.db2.gz NSJDFMOBYYFWLE-HNNXBMFYSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173909564 372546484 /nfs/dbraw/zinc/54/64/84/372546484.db2.gz NSJDFMOBYYFWLE-HNNXBMFYSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173909564 372546491 /nfs/dbraw/zinc/54/64/91/372546491.db2.gz NSJDFMOBYYFWLE-HNNXBMFYSA-N 2 2 279.428 1.461 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173909564 372546500 /nfs/dbraw/zinc/54/65/00/372546500.db2.gz NSJDFMOBYYFWLE-HNNXBMFYSA-N 2 2 279.428 1.461 20 30 CDEDLP C[N@@H+](Cc1ccc(C#N)cc1F)C1CC[NH+](CCO)CC1 ZINC000353365005 375279712 /nfs/dbraw/zinc/27/97/12/375279712.db2.gz QCDXBYVSLJFLIG-UHFFFAOYSA-N 2 2 291.370 1.586 20 30 CDEDLP C=CCOCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000293218198 378561794 /nfs/dbraw/zinc/56/17/94/378561794.db2.gz VJDXNPSYEIQPPE-UHFFFAOYSA-N 2 2 277.368 1.415 20 30 CDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1C#N ZINC000174713979 379555608 /nfs/dbraw/zinc/55/56/08/379555608.db2.gz SNOLBJXUIUICHK-UHFFFAOYSA-N 2 2 286.423 1.628 20 30 CDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1C#N ZINC000174713979 379555617 /nfs/dbraw/zinc/55/56/17/379555617.db2.gz SNOLBJXUIUICHK-UHFFFAOYSA-N 2 2 286.423 1.628 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000104153816 390484790 /nfs/dbraw/zinc/48/47/90/390484790.db2.gz OGISVTDQVOBILN-OCCSQVGLSA-N 2 2 278.400 1.229 20 30 CDEDLP CC[C@H]1CN(C(NCCn2cc[nH+]c2)=[NH+]C)CCS1 ZINC000262038113 390990471 /nfs/dbraw/zinc/99/04/71/390990471.db2.gz XXBUNQJNAGRGIA-LBPRGKRZSA-N 2 2 281.429 1.286 20 30 CDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NC(C)(C)C ZINC000263078492 391104273 /nfs/dbraw/zinc/10/42/73/391104273.db2.gz CUPHPCMORTVGSA-UHFFFAOYSA-N 2 2 263.389 1.683 20 30 CDEDLP Cc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+](C)CCC#N ZINC000414104172 391109106 /nfs/dbraw/zinc/10/91/06/391109106.db2.gz OCDMLSBQNOSKPG-ZDUSSCGKSA-N 2 2 272.352 1.551 20 30 CDEDLP Cc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+](C)CCC#N ZINC000414104172 391109108 /nfs/dbraw/zinc/10/91/08/391109108.db2.gz OCDMLSBQNOSKPG-ZDUSSCGKSA-N 2 2 272.352 1.551 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000191402497 391476093 /nfs/dbraw/zinc/47/60/93/391476093.db2.gz FLBLRVCXFAODCY-CQSZACIVSA-N 2 2 288.395 1.051 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000191402497 391476095 /nfs/dbraw/zinc/47/60/95/391476095.db2.gz FLBLRVCXFAODCY-CQSZACIVSA-N 2 2 288.395 1.051 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000192013253 391713144 /nfs/dbraw/zinc/71/31/44/391713144.db2.gz DURIYWJLJLYIOO-LJQANCHMSA-N 2 2 297.446 1.750 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000192013253 391713147 /nfs/dbraw/zinc/71/31/47/391713147.db2.gz DURIYWJLJLYIOO-LJQANCHMSA-N 2 2 297.446 1.750 20 30 CDEDLP C[C@H](NC(=O)CCc1c[nH+]cn1C)C1=CC[N@H+](C)CC1 ZINC000330003746 391808718 /nfs/dbraw/zinc/80/87/18/391808718.db2.gz AMUFKQPNDPJFPS-LBPRGKRZSA-N 2 2 276.384 1.960 20 30 CDEDLP C[C@H](NC(=O)CCc1c[nH+]cn1C)C1=CC[N@@H+](C)CC1 ZINC000330003746 391808719 /nfs/dbraw/zinc/80/87/19/391808719.db2.gz AMUFKQPNDPJFPS-LBPRGKRZSA-N 2 2 276.384 1.960 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000372754142 391863799 /nfs/dbraw/zinc/86/37/99/391863799.db2.gz XYDXQDOQNXERHW-CYBMUJFWSA-N 2 2 288.395 1.212 20 30 CDEDLP Cc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C#N)c[nH+]1 ZINC000425204693 392993446 /nfs/dbraw/zinc/99/34/46/392993446.db2.gz UTNNBFRMKKLLDI-OAHLLOKOSA-N 2 2 288.395 1.452 20 30 CDEDLP Cc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C#N)c[nH+]1 ZINC000425204693 392993450 /nfs/dbraw/zinc/99/34/50/392993450.db2.gz UTNNBFRMKKLLDI-OAHLLOKOSA-N 2 2 288.395 1.452 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000651273490 397902101 /nfs/dbraw/zinc/90/21/01/397902101.db2.gz OSSPGBXIIXXKOB-CYBMUJFWSA-N 2 2 276.384 1.601 20 30 CDEDLP C=CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000662631648 413225430 /nfs/dbraw/zinc/22/54/30/413225430.db2.gz WZIVLIDENCGGCW-OLZOCXBDSA-N 2 2 253.390 1.080 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)/C=C\c1[nH+]ccn1CC ZINC000490936772 261258109 /nfs/dbraw/zinc/25/81/09/261258109.db2.gz RPBGZIYSSCPRFR-WBTMPAOCSA-N 2 2 287.363 1.557 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)/C=C\c1[nH+]ccn1CC ZINC000490936772 261258110 /nfs/dbraw/zinc/25/81/10/261258110.db2.gz RPBGZIYSSCPRFR-WBTMPAOCSA-N 2 2 287.363 1.557 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2CC)CC1 ZINC000491043419 261308280 /nfs/dbraw/zinc/30/82/80/261308280.db2.gz BIJOYCQICKSPAD-HOTGVXAUSA-N 2 2 291.439 1.322 20 30 CDEDLP CCCNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104154568 261342795 /nfs/dbraw/zinc/34/27/95/261342795.db2.gz MWJLGZGHQLUPSG-OAHLLOKOSA-N 2 2 290.411 1.202 20 30 CDEDLP CCCNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104154568 261342799 /nfs/dbraw/zinc/34/27/99/261342799.db2.gz MWJLGZGHQLUPSG-OAHLLOKOSA-N 2 2 290.411 1.202 20 30 CDEDLP CC[C@H](C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000194688194 262241459 /nfs/dbraw/zinc/24/14/59/262241459.db2.gz FDRIEEYQDQAUEH-NSHDSACASA-N 2 2 272.356 1.470 20 30 CDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CC1)c1cccc(F)c1 ZINC000195522273 262251756 /nfs/dbraw/zinc/25/17/56/262251756.db2.gz HSYKSFQMOVLCHM-ZDUSSCGKSA-N 2 2 264.348 1.495 20 30 CDEDLP CCC[NH+]1CCC(NC(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000330694514 264004458 /nfs/dbraw/zinc/00/44/58/264004458.db2.gz CKBAUNSPMOSMQP-UHFFFAOYSA-N 2 2 293.415 1.640 20 30 CDEDLP Cc1cc(NC[C@H]2[NH2+]CCCC2(C)C)c(C#N)c[nH+]1 ZINC000398977099 267300058 /nfs/dbraw/zinc/30/00/58/267300058.db2.gz BYLRODNWXQRFKD-CQSZACIVSA-N 2 2 258.369 1.874 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377280261 268062968 /nfs/dbraw/zinc/06/29/68/268062968.db2.gz ZDTSDNIZFIICTC-AWEZNQCLSA-N 2 2 280.416 1.165 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377280261 268062972 /nfs/dbraw/zinc/06/29/72/268062972.db2.gz ZDTSDNIZFIICTC-AWEZNQCLSA-N 2 2 280.416 1.165 20 30 CDEDLP CC[N@@H+]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330278308 276366437 /nfs/dbraw/zinc/36/64/37/276366437.db2.gz PLROKNOQGCHYLN-CYBMUJFWSA-N 2 2 291.399 1.140 20 30 CDEDLP CC[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330278308 276366440 /nfs/dbraw/zinc/36/64/40/276366440.db2.gz PLROKNOQGCHYLN-CYBMUJFWSA-N 2 2 291.399 1.140 20 30 CDEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000570776944 294304897 /nfs/dbraw/zinc/30/48/97/294304897.db2.gz SUGHSRPZGRJAAE-INIZCTEOSA-N 2 2 299.422 1.560 20 30 CDEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000570776944 294304901 /nfs/dbraw/zinc/30/49/01/294304901.db2.gz SUGHSRPZGRJAAE-INIZCTEOSA-N 2 2 299.422 1.560 20 30 CDEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CCC#N ZINC000423136456 330172079 /nfs/dbraw/zinc/17/20/79/330172079.db2.gz ZGCXVVDLKFIHLT-STQMWFEESA-N 2 2 253.390 1.673 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491516177 332227633 /nfs/dbraw/zinc/22/76/33/332227633.db2.gz RMMKUWDHIUMOQY-KRWDZBQOSA-N 2 2 290.407 1.061 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)CCOC ZINC000491516177 332227634 /nfs/dbraw/zinc/22/76/34/332227634.db2.gz RMMKUWDHIUMOQY-KRWDZBQOSA-N 2 2 290.407 1.061 20 30 CDEDLP C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)CCOC ZINC000491516177 332227638 /nfs/dbraw/zinc/22/76/38/332227638.db2.gz RMMKUWDHIUMOQY-KRWDZBQOSA-N 2 2 290.407 1.061 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC2CCC2)C(C)C)CC1 ZINC000491764501 332333242 /nfs/dbraw/zinc/33/32/42/332333242.db2.gz AXQLIWMDFOARPC-UHFFFAOYSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC2CCC2)C(C)C)CC1 ZINC000491764501 332333243 /nfs/dbraw/zinc/33/32/43/332333243.db2.gz AXQLIWMDFOARPC-UHFFFAOYSA-N 2 2 291.439 1.274 20 30 CDEDLP COCC#CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000677819978 482795735 /nfs/dbraw/zinc/79/57/35/482795735.db2.gz QXGJDFXWCMLMKP-GOEBONIOSA-N 2 2 262.397 1.585 20 30 CDEDLP COCC#CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000677819978 482795740 /nfs/dbraw/zinc/79/57/40/482795740.db2.gz QXGJDFXWCMLMKP-GOEBONIOSA-N 2 2 262.397 1.585 20 30 CDEDLP COCC#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000677819978 482795745 /nfs/dbraw/zinc/79/57/45/482795745.db2.gz QXGJDFXWCMLMKP-GOEBONIOSA-N 2 2 262.397 1.585 20 30 CDEDLP COCC#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000677819978 482795747 /nfs/dbraw/zinc/79/57/47/482795747.db2.gz QXGJDFXWCMLMKP-GOEBONIOSA-N 2 2 262.397 1.585 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113638651 1162244711 /nfs/dbraw/zinc/24/47/11/1162244711.db2.gz BKTRXDFHZJBNNM-UHFFFAOYSA-N 2 2 279.428 1.583 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000340718643 527445886 /nfs/dbraw/zinc/44/58/86/527445886.db2.gz IOVMMKQRUKVDKZ-UHFFFAOYSA-N 2 2 281.363 1.614 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000764462234 575052088 /nfs/dbraw/zinc/05/20/88/575052088.db2.gz QQBFYGFWZKIQBC-LBPRGKRZSA-N 2 2 262.357 1.581 20 30 CDEDLP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000733327422 575114786 /nfs/dbraw/zinc/11/47/86/575114786.db2.gz WKYBCTCNOZYXQW-HNNXBMFYSA-N 2 2 258.365 1.882 20 30 CDEDLP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000733327422 575114788 /nfs/dbraw/zinc/11/47/88/575114788.db2.gz WKYBCTCNOZYXQW-HNNXBMFYSA-N 2 2 258.365 1.882 20 30 CDEDLP CC[N@@H+]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C1 ZINC000761859944 576598773 /nfs/dbraw/zinc/59/87/73/576598773.db2.gz DLBKDWGEKJMGEZ-LBPRGKRZSA-N 2 2 299.382 1.792 20 30 CDEDLP CC[N@H+]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C1 ZINC000761859944 576598775 /nfs/dbraw/zinc/59/87/75/576598775.db2.gz DLBKDWGEKJMGEZ-LBPRGKRZSA-N 2 2 299.382 1.792 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(CC)C2)CC1 ZINC000748823395 576928079 /nfs/dbraw/zinc/92/80/79/576928079.db2.gz SIMFGKNRMQYALJ-QGZVFWFLSA-N 2 2 291.439 1.276 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(CC)C2)CC1 ZINC000748823395 576928080 /nfs/dbraw/zinc/92/80/80/576928080.db2.gz SIMFGKNRMQYALJ-QGZVFWFLSA-N 2 2 291.439 1.276 20 30 CDEDLP N#Cc1cccn(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1=O ZINC000758221704 577084867 /nfs/dbraw/zinc/08/48/67/577084867.db2.gz HNYWZPOVWMJHSV-UHFFFAOYSA-N 2 2 283.335 1.211 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981741371 613150077 /nfs/dbraw/zinc/15/00/77/613150077.db2.gz YYBVERDRVKSJMM-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981741371 613150078 /nfs/dbraw/zinc/15/00/78/613150078.db2.gz YYBVERDRVKSJMM-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183145 613267277 /nfs/dbraw/zinc/26/72/77/613267277.db2.gz GJOHJMFVKXNZIU-JSGCOSHPSA-N 2 2 296.374 1.636 20 30 CDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183145 613267279 /nfs/dbraw/zinc/26/72/79/613267279.db2.gz GJOHJMFVKXNZIU-JSGCOSHPSA-N 2 2 296.374 1.636 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947758794 613327916 /nfs/dbraw/zinc/32/79/16/613327916.db2.gz SKLMSBWRBLWEFC-CHWSQXEVSA-N 2 2 276.384 1.497 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947758794 613327917 /nfs/dbraw/zinc/32/79/17/613327917.db2.gz SKLMSBWRBLWEFC-CHWSQXEVSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971822281 613617400 /nfs/dbraw/zinc/61/74/00/613617400.db2.gz UWUYZLFFYXLUSU-UONOGXRCSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971822281 613617401 /nfs/dbraw/zinc/61/74/01/613617401.db2.gz UWUYZLFFYXLUSU-UONOGXRCSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000951361688 613655524 /nfs/dbraw/zinc/65/55/24/613655524.db2.gz HBDNFWVMCSERPD-HNNXBMFYSA-N 2 2 293.455 1.827 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000951361688 613655525 /nfs/dbraw/zinc/65/55/25/613655525.db2.gz HBDNFWVMCSERPD-HNNXBMFYSA-N 2 2 293.455 1.827 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892880503 617856321 /nfs/dbraw/zinc/85/63/21/617856321.db2.gz BPDSJUCXSROVNO-CABCVRRESA-N 2 2 298.402 1.860 20 30 CDEDLP Cc1nc(NCC#CC[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000894876893 619114898 /nfs/dbraw/zinc/11/48/98/619114898.db2.gz XBGCPBPPHICRDE-UHFFFAOYSA-N 2 2 258.369 1.641 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903176488 625879745 /nfs/dbraw/zinc/87/97/45/625879745.db2.gz BJQQQCCUPCGZJW-ZXFUBFMLSA-N 3 2 275.440 1.689 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903176488 625879746 /nfs/dbraw/zinc/87/97/46/625879746.db2.gz BJQQQCCUPCGZJW-ZXFUBFMLSA-N 3 2 275.440 1.689 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903176488 625879751 /nfs/dbraw/zinc/87/97/51/625879751.db2.gz BJQQQCCUPCGZJW-ZXFUBFMLSA-N 3 2 275.440 1.689 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903176488 625879753 /nfs/dbraw/zinc/87/97/53/625879753.db2.gz BJQQQCCUPCGZJW-ZXFUBFMLSA-N 3 2 275.440 1.689 20 30 CDEDLP CN1CC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000903322373 625967916 /nfs/dbraw/zinc/96/79/16/625967916.db2.gz MOYUSNCHKTUZRY-SFHVURJKSA-N 2 2 298.434 1.816 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571577 694057337 /nfs/dbraw/zinc/05/73/37/694057337.db2.gz PEHJTFILDOGIRT-AVGNSLFASA-N 2 2 288.395 1.643 20 30 CDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985716885 688260456 /nfs/dbraw/zinc/26/04/56/688260456.db2.gz IBDJTXPIZMGGTF-UHFFFAOYSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985716885 688260464 /nfs/dbraw/zinc/26/04/64/688260464.db2.gz IBDJTXPIZMGGTF-UHFFFAOYSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001032557194 688384641 /nfs/dbraw/zinc/38/46/41/688384641.db2.gz ATPHUCUWCMCRGG-KBPBESRZSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001032557194 688384647 /nfs/dbraw/zinc/38/46/47/688384647.db2.gz ATPHUCUWCMCRGG-KBPBESRZSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000989039341 688397528 /nfs/dbraw/zinc/39/75/28/688397528.db2.gz HIHSTYOLRSLXHD-YPMHNXCESA-N 2 2 284.363 1.942 20 30 CDEDLP C#CCCCOc1ccc[nH+]c1NC[C@](C)(O)C[NH+](C)C ZINC000820683243 688399436 /nfs/dbraw/zinc/39/94/36/688399436.db2.gz XNPVRZIEKUBBLK-INIZCTEOSA-N 2 2 291.395 1.598 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038777340 688474750 /nfs/dbraw/zinc/47/47/50/688474750.db2.gz ZXRLUFDWKYXJFK-LSDHHAIUSA-N 2 2 277.412 1.073 20 30 CDEDLP 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ZTZDZRUFCOXVIT-NYTXWWLZSA-N 2 2 288.395 1.457 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114899790 935310850 /nfs/dbraw/zinc/31/08/50/935310850.db2.gz ZTZDZRUFCOXVIT-NYTXWWLZSA-N 2 2 288.395 1.457 20 30 CDEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016898161 935625838 /nfs/dbraw/zinc/62/58/38/935625838.db2.gz KXNRIFWTLGHUFL-GFCCVEGCSA-N 2 2 274.368 1.109 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001044749730 935869461 /nfs/dbraw/zinc/86/94/61/935869461.db2.gz LFDKKUMFBBNTKR-NWDGAFQWSA-N 2 2 262.357 1.107 20 30 CDEDLP N#CCc1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)[nH+]c1 ZINC001163080428 939193304 /nfs/dbraw/zinc/19/33/04/939193304.db2.gz GBGUHDVEBFIXIP-CYBMUJFWSA-N 2 2 272.352 1.328 20 30 CDEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)ncc1C#N ZINC001163122423 939205202 /nfs/dbraw/zinc/20/52/02/939205202.db2.gz JSBSUEGIMZSFFF-UHFFFAOYSA-N 2 2 295.778 1.280 20 30 CDEDLP C[NH+](C)C[C@]12C[C@H]1CN(c1cc(CC#N)cc[nH+]1)C2 ZINC001165185291 939521722 /nfs/dbraw/zinc/52/17/22/939521722.db2.gz RIMFCFRGARNSSK-ZFWWWQNUSA-N 2 2 256.353 1.536 20 30 CDEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206683473 940077581 /nfs/dbraw/zinc/07/75/81/940077581.db2.gz IMIXSRTWAWEMKA-UHFFFAOYSA-N 2 2 296.802 1.533 20 30 CDEDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C#N)n(C)c3)C[C@@H]2C1 ZINC001207107829 940151026 /nfs/dbraw/zinc/15/10/26/940151026.db2.gz CHTZUCCAEZMAAA-OKILXGFUSA-N 2 2 258.369 1.280 20 30 CDEDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C#N)n(C)c3)C[C@@H]2C1 ZINC001207107829 940151027 /nfs/dbraw/zinc/15/10/27/940151027.db2.gz CHTZUCCAEZMAAA-OKILXGFUSA-N 2 2 258.369 1.280 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)C[C@@H]2C1 ZINC001207107829 940151028 /nfs/dbraw/zinc/15/10/28/940151028.db2.gz CHTZUCCAEZMAAA-OKILXGFUSA-N 2 2 258.369 1.280 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C#N)n(C)c3)C[C@@H]2C1 ZINC001207107829 940151029 /nfs/dbraw/zinc/15/10/29/940151029.db2.gz CHTZUCCAEZMAAA-OKILXGFUSA-N 2 2 258.369 1.280 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215681082 940902477 /nfs/dbraw/zinc/90/24/77/940902477.db2.gz RJWSOPHXIZGLHP-VNHYZAJKSA-N 2 2 290.411 1.743 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001227655699 942200482 /nfs/dbraw/zinc/20/04/82/942200482.db2.gz RGAULZIBKGAJLC-ZIAGYGMSSA-N 2 2 290.411 1.556 20 30 CDEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001263097858 943742876 /nfs/dbraw/zinc/74/28/76/943742876.db2.gz LAIDZMQPYKAIAB-CYBMUJFWSA-N 2 2 276.384 1.799 20 30 CDEDLP N#Cc1cccc2c(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)c[nH]c21 ZINC001235987450 944351723 /nfs/dbraw/zinc/35/17/23/944351723.db2.gz FWPCLPAWQSGZDP-CJNGLKHVSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1cccc2c(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)c[nH]c21 ZINC001235987450 944351730 /nfs/dbraw/zinc/35/17/30/944351730.db2.gz FWPCLPAWQSGZDP-CJNGLKHVSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])s1 ZINC001236000240 944369001 /nfs/dbraw/zinc/36/90/01/944369001.db2.gz SGLOBBDSMNPEHI-HWYHXSKPSA-N 2 2 263.366 1.025 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])s1 ZINC001236000240 944369008 /nfs/dbraw/zinc/36/90/08/944369008.db2.gz SGLOBBDSMNPEHI-HWYHXSKPSA-N 2 2 263.366 1.025 20 30 CDEDLP C=CCOC1CCC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246654282 948387880 /nfs/dbraw/zinc/38/78/80/948387880.db2.gz JOJDZSTXCDKYEQ-VXGQWTEUSA-N 2 2 250.386 1.923 20 30 CDEDLP C=CCOC1CCC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246654282 948387882 /nfs/dbraw/zinc/38/78/82/948387882.db2.gz JOJDZSTXCDKYEQ-VXGQWTEUSA-N 2 2 250.386 1.923 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001252553137 951444269 /nfs/dbraw/zinc/44/42/69/951444269.db2.gz SBQFVIKREGIZSI-INMHGKMJSA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001253601578 951989468 /nfs/dbraw/zinc/98/94/68/951989468.db2.gz SMCPSOBZPRESBJ-INIZCTEOSA-N 2 2 290.407 1.796 20 30 CDEDLP C[C@H](C#N)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325359620 953858430 /nfs/dbraw/zinc/85/84/30/953858430.db2.gz HTXDBQPDFDZQQU-CYBMUJFWSA-N 2 2 290.386 1.827 20 30 CDEDLP C#C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308882591 956593983 /nfs/dbraw/zinc/59/39/83/956593983.db2.gz LDDRDGOETBICKE-DLBZAZTESA-N 2 2 284.403 1.767 20 30 CDEDLP C#C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308882591 956594006 /nfs/dbraw/zinc/59/40/06/956594006.db2.gz LDDRDGOETBICKE-DLBZAZTESA-N 2 2 284.403 1.767 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001367062654 957378026 /nfs/dbraw/zinc/37/80/26/957378026.db2.gz YENIRMJKMGIKSH-ZDUSSCGKSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001367062654 957378038 /nfs/dbraw/zinc/37/80/38/957378038.db2.gz YENIRMJKMGIKSH-ZDUSSCGKSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001425686047 957599065 /nfs/dbraw/zinc/59/90/65/957599065.db2.gz QOGCSPNWNBAECW-LBPRGKRZSA-N 2 2 298.818 1.542 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001318326298 958036333 /nfs/dbraw/zinc/03/63/33/958036333.db2.gz HCRPWAGQULJERW-LBPRGKRZSA-N 2 2 262.357 1.211 20 30 CDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)CC1 ZINC001451679184 967989936 /nfs/dbraw/zinc/98/99/36/967989936.db2.gz ZKHMLSDZTVZNOO-AWEZNQCLSA-N 2 2 292.427 1.165 20 30 CDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)CC1 ZINC001451679184 967989941 /nfs/dbraw/zinc/98/99/41/967989941.db2.gz ZKHMLSDZTVZNOO-AWEZNQCLSA-N 2 2 292.427 1.165 20 30 CDEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710172 968994214 /nfs/dbraw/zinc/99/42/14/968994214.db2.gz GFWIMCDBQVPVOK-HSBZDZAISA-N 2 2 290.411 1.791 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001377515810 975060318 /nfs/dbraw/zinc/06/03/18/975060318.db2.gz GQPCQPXBAKEPHC-JTQLQIEISA-N 2 2 284.791 1.498 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001506629167 975192322 /nfs/dbraw/zinc/19/23/22/975192322.db2.gz XZZYJHBVPLGXBI-GFCCVEGCSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001506629167 975192324 /nfs/dbraw/zinc/19/23/24/975192324.db2.gz XZZYJHBVPLGXBI-GFCCVEGCSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133355029 1163652523 /nfs/dbraw/zinc/65/25/23/1163652523.db2.gz UZRLQSHGLNZGPA-GJZGRUSLSA-N 2 2 290.411 1.533 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000594009337 342862964 /nfs/dbraw/zinc/86/29/64/342862964.db2.gz CULVGEXKRRKFKU-HOTGVXAUSA-N 2 2 275.396 1.761 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000594009337 342862965 /nfs/dbraw/zinc/86/29/65/342862965.db2.gz CULVGEXKRRKFKU-HOTGVXAUSA-N 2 2 275.396 1.761 20 30 CDEDLP Cc1ccc(CCC[NH2+]C2CCN(CC#N)CC2)c[nH+]1 ZINC000619426375 349699125 /nfs/dbraw/zinc/69/91/25/349699125.db2.gz ZHARJKKKPPMTRZ-UHFFFAOYSA-N 2 2 272.396 1.900 20 30 CDEDLP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000442774973 362089569 /nfs/dbraw/zinc/08/95/69/362089569.db2.gz FQBYOFUJBDXUQD-GOEBONIOSA-N 3 2 290.455 1.827 20 30 CDEDLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)C[NH+]1CCOCC1 ZINC000442796877 362092392 /nfs/dbraw/zinc/09/23/92/362092392.db2.gz WHOSMGWMUKFERO-MGPQQGTHSA-N 2 2 251.374 1.237 20 30 CDEDLP N#Cc1sccc1N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000595902070 343187042 /nfs/dbraw/zinc/18/70/42/343187042.db2.gz GAYPWNUERPOOGM-LBPRGKRZSA-N 2 2 276.409 1.351 20 30 CDEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000619720296 349870158 /nfs/dbraw/zinc/87/01/58/349870158.db2.gz WPKPDYHJJJPAKP-CQSZACIVSA-N 2 2 268.401 1.768 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598724141 343885452 /nfs/dbraw/zinc/88/54/52/343885452.db2.gz IVONPBKAJWSGRY-MRVWCRGKSA-N 2 2 265.401 1.359 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598724141 343885454 /nfs/dbraw/zinc/88/54/54/343885454.db2.gz IVONPBKAJWSGRY-MRVWCRGKSA-N 2 2 265.401 1.359 20 30 CDEDLP CC1(C#N)CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000599018171 343945177 /nfs/dbraw/zinc/94/51/77/343945177.db2.gz FZZJHNBNFVKONJ-MOKVOYLWSA-N 2 2 251.374 1.115 20 30 CDEDLP CC1(C#N)CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000599018171 343945180 /nfs/dbraw/zinc/94/51/80/343945180.db2.gz FZZJHNBNFVKONJ-MOKVOYLWSA-N 2 2 251.374 1.115 20 30 CDEDLP CC[NH+](CC)CCC[NH+]1CCN(CCC#N)CC1 ZINC000617216690 345033789 /nfs/dbraw/zinc/03/37/89/345033789.db2.gz NPPIQRAOXIZYDD-UHFFFAOYSA-N 2 2 252.406 1.250 20 30 CDEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)n3)CC[C@H]21 ZINC000602487083 350113935 /nfs/dbraw/zinc/11/39/35/350113935.db2.gz STWYRYXEQLXSLL-XJKSGUPXSA-N 2 2 270.380 1.869 20 30 CDEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)n3)CC[C@H]21 ZINC000602487083 350113938 /nfs/dbraw/zinc/11/39/38/350113938.db2.gz STWYRYXEQLXSLL-XJKSGUPXSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C#N)n3)CC[C@H]21 ZINC000602487083 350113941 /nfs/dbraw/zinc/11/39/41/350113941.db2.gz STWYRYXEQLXSLL-XJKSGUPXSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C#N)n3)CC[C@H]21 ZINC000602487083 350113943 /nfs/dbraw/zinc/11/39/43/350113943.db2.gz STWYRYXEQLXSLL-XJKSGUPXSA-N 2 2 270.380 1.869 20 30 CDEDLP CCNC(NC[C@@H](c1ccsc1)[NH+](C)C)=[NH+]CC ZINC000264117825 362971720 /nfs/dbraw/zinc/97/17/20/362971720.db2.gz TYAIKUHCXILVLY-LBPRGKRZSA-N 2 2 268.430 1.926 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569964 363022500 /nfs/dbraw/zinc/02/25/00/363022500.db2.gz ZPDIYLLONFTNQC-GARJFASQSA-N 2 2 293.333 1.136 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569964 363022504 /nfs/dbraw/zinc/02/25/04/363022504.db2.gz ZPDIYLLONFTNQC-GARJFASQSA-N 2 2 293.333 1.136 20 30 CDEDLP CCCCNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000264320964 363031308 /nfs/dbraw/zinc/03/13/08/363031308.db2.gz XLEYBYHRSORMMD-UHFFFAOYSA-N 2 2 263.389 1.978 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)o1 ZINC000135176862 357755821 /nfs/dbraw/zinc/75/58/21/357755821.db2.gz LXKBIFQHZUKTAB-BXUZGUMPSA-N 2 2 261.325 1.104 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)o1 ZINC000135176862 357755823 /nfs/dbraw/zinc/75/58/23/357755823.db2.gz LXKBIFQHZUKTAB-BXUZGUMPSA-N 2 2 261.325 1.104 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](C[N@@H+](C)CC)C2)C1=O ZINC000337187052 360030315 /nfs/dbraw/zinc/03/03/15/360030315.db2.gz PHRLECFPXUCGNB-KGLIPLIRSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](C[N@H+](C)CC)C2)C1=O ZINC000337187052 360030319 /nfs/dbraw/zinc/03/03/19/360030319.db2.gz PHRLECFPXUCGNB-KGLIPLIRSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)CC)C2)C1=O ZINC000337187052 360030323 /nfs/dbraw/zinc/03/03/23/360030323.db2.gz PHRLECFPXUCGNB-KGLIPLIRSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)CC)C2)C1=O ZINC000337187052 360030327 /nfs/dbraw/zinc/03/03/27/360030327.db2.gz PHRLECFPXUCGNB-KGLIPLIRSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000337207345 360039887 /nfs/dbraw/zinc/03/98/87/360039887.db2.gz OKRFHUFQGVFQRH-UONOGXRCSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000337207345 360039888 /nfs/dbraw/zinc/03/98/88/360039888.db2.gz OKRFHUFQGVFQRH-UONOGXRCSA-N 2 2 265.401 1.189 20 30 CDEDLP N#CCSCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000080632037 361360127 /nfs/dbraw/zinc/36/01/27/361360127.db2.gz YNKPDKFEUPGCCX-AWEZNQCLSA-N 2 2 283.441 1.287 20 30 CDEDLP N#CCSCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000080632037 361360130 /nfs/dbraw/zinc/36/01/30/361360130.db2.gz YNKPDKFEUPGCCX-AWEZNQCLSA-N 2 2 283.441 1.287 20 30 CDEDLP CC(C)CCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912344 365162398 /nfs/dbraw/zinc/16/23/98/365162398.db2.gz RHAAWTHTHJQSNV-UHFFFAOYSA-N 2 2 286.383 1.718 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000112839501 374231415 /nfs/dbraw/zinc/23/14/15/374231415.db2.gz HZUARUQTQKSRHF-CVEARBPZSA-N 2 2 271.364 1.511 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000112839501 374231422 /nfs/dbraw/zinc/23/14/22/374231422.db2.gz HZUARUQTQKSRHF-CVEARBPZSA-N 2 2 271.364 1.511 20 30 CDEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)o2)CCCO1 ZINC000277928841 374823730 /nfs/dbraw/zinc/82/37/30/374823730.db2.gz QJWUFKJIRLYKSA-CYBMUJFWSA-N 2 2 277.368 1.742 20 30 CDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C#N)o2)CCCO1 ZINC000277928841 374823734 /nfs/dbraw/zinc/82/37/34/374823734.db2.gz QJWUFKJIRLYKSA-CYBMUJFWSA-N 2 2 277.368 1.742 20 30 CDEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@@H]2C1 ZINC000193638447 375887171 /nfs/dbraw/zinc/88/71/71/375887171.db2.gz CYXAVPBKMGCBKA-OKILXGFUSA-N 2 2 259.328 1.691 20 30 CDEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@@H]2C1 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CDEDLP COC[C@@H](C)NC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000104171631 390486111 /nfs/dbraw/zinc/48/61/11/390486111.db2.gz GLYREQXHYNMSKS-LLVKDONJSA-N 2 2 289.383 1.435 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354223132 391411509 /nfs/dbraw/zinc/41/15/09/391411509.db2.gz NIRISIVYPPVVBX-GJZGRUSLSA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354223132 391411514 /nfs/dbraw/zinc/41/15/14/391411514.db2.gz NIRISIVYPPVVBX-GJZGRUSLSA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354223132 391411519 /nfs/dbraw/zinc/41/15/19/391411519.db2.gz NIRISIVYPPVVBX-GJZGRUSLSA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354223132 391411523 /nfs/dbraw/zinc/41/15/23/391411523.db2.gz NIRISIVYPPVVBX-GJZGRUSLSA-N 2 2 294.443 1.553 20 30 CDEDLP CN1CC[NH+]=C1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000262479585 391792139 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330158074 /nfs/dbraw/zinc/15/80/74/330158074.db2.gz RXPMSRJOATXXIL-DZGCQCFKSA-N 3 2 251.418 1.744 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423157173 330173471 /nfs/dbraw/zinc/17/34/71/330173471.db2.gz UTCXROLICMQMAY-RQJABVFESA-N 2 2 254.374 1.077 20 30 CDEDLP C=CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000121240838 330398398 /nfs/dbraw/zinc/39/83/98/330398398.db2.gz BYFTYKCZEQWHSQ-UHFFFAOYSA-N 2 2 293.436 1.510 20 30 CDEDLP C=CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000121240838 330398399 /nfs/dbraw/zinc/39/83/99/330398399.db2.gz BYFTYKCZEQWHSQ-UHFFFAOYSA-N 2 2 293.436 1.510 20 30 CDEDLP CO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000226411596 523688122 /nfs/dbraw/zinc/68/81/22/523688122.db2.gz KAGDMFFNMZJXBX-HUUCEWRRSA-N 2 2 259.353 1.496 20 30 CDEDLP CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000226411596 523688125 /nfs/dbraw/zinc/68/81/25/523688125.db2.gz KAGDMFFNMZJXBX-HUUCEWRRSA-N 2 2 259.353 1.496 20 30 CDEDLP C=CCc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)cc(OC)c1O ZINC000733327410 575114962 /nfs/dbraw/zinc/11/49/62/575114962.db2.gz WDVABIPEZXVIHM-AWEZNQCLSA-N 2 2 276.380 1.923 20 30 CDEDLP C=CCc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc(OC)c1O ZINC000733327410 575114963 /nfs/dbraw/zinc/11/49/63/575114963.db2.gz WDVABIPEZXVIHM-AWEZNQCLSA-N 2 2 276.380 1.923 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000950631673 612991031 /nfs/dbraw/zinc/99/10/31/612991031.db2.gz WXDFOEGCLVMZQN-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000950631673 612991029 /nfs/dbraw/zinc/99/10/29/612991029.db2.gz WXDFOEGCLVMZQN-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000950063475 613294442 /nfs/dbraw/zinc/29/44/42/613294442.db2.gz JJIYGIPWXMUCAQ-INIZCTEOSA-N 2 2 293.455 1.968 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000950063475 613294444 /nfs/dbraw/zinc/29/44/44/613294444.db2.gz JJIYGIPWXMUCAQ-INIZCTEOSA-N 2 2 293.455 1.968 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000951750005 613295595 /nfs/dbraw/zinc/29/55/95/613295595.db2.gz NALKQODSBZJQSD-HIFRSBDPSA-N 2 2 279.428 1.293 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000951750005 613295597 /nfs/dbraw/zinc/29/55/97/613295597.db2.gz NALKQODSBZJQSD-HIFRSBDPSA-N 2 2 279.428 1.293 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968533898 613325702 /nfs/dbraw/zinc/32/57/02/613325702.db2.gz NFQJXOFMSHZBQS-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968533898 613325703 /nfs/dbraw/zinc/32/57/03/613325703.db2.gz NFQJXOFMSHZBQS-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939622483 613386872 /nfs/dbraw/zinc/38/68/72/613386872.db2.gz LNJKVRWYBYGCTC-RNCFNFMXSA-N 2 2 296.802 1.450 20 30 CDEDLP 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C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028130009 695569304 /nfs/dbraw/zinc/56/93/04/695569304.db2.gz IVSKNNOWBIFVQJ-STQMWFEESA-N 2 2 286.379 1.043 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989675403 695718158 /nfs/dbraw/zinc/71/81/58/695718158.db2.gz HHLSPDAGXCLVHM-NWDGAFQWSA-N 2 2 296.802 1.294 20 30 CDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(C#N)c1 ZINC000133809362 695953846 /nfs/dbraw/zinc/95/38/46/695953846.db2.gz MAJDTDIMBCQUQF-DOMZBBRYSA-N 2 2 259.353 1.415 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009200952 695961788 /nfs/dbraw/zinc/96/17/88/695961788.db2.gz IVRYIVJUPWYCDS-ZIAGYGMSSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001009200952 695961790 /nfs/dbraw/zinc/96/17/90/695961790.db2.gz IVRYIVJUPWYCDS-ZIAGYGMSSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009200952 695961791 /nfs/dbraw/zinc/96/17/91/695961791.db2.gz IVRYIVJUPWYCDS-ZIAGYGMSSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009200952 695961792 /nfs/dbraw/zinc/96/17/92/695961792.db2.gz IVRYIVJUPWYCDS-ZIAGYGMSSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049927822 696074926 /nfs/dbraw/zinc/07/49/26/696074926.db2.gz OBMPCMGNXTZYHP-CABCVRRESA-N 2 2 288.395 1.525 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049927822 696074930 /nfs/dbraw/zinc/07/49/30/696074930.db2.gz OBMPCMGNXTZYHP-CABCVRRESA-N 2 2 288.395 1.525 20 30 CDEDLP C#CC[C@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000883124418 696112554 /nfs/dbraw/zinc/11/25/54/696112554.db2.gz GIBOZOUBCUWDSU-LLVKDONJSA-N 2 2 261.350 1.408 20 30 CDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483827 1162578996 /nfs/dbraw/zinc/57/89/96/1162578996.db2.gz QAFAJWYTLOOWML-AWEZNQCLSA-N 2 2 290.411 1.630 20 30 CDEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001752826114 1184924858 /nfs/dbraw/zinc/92/48/58/1184924858.db2.gz PKQMFFJUCRTMDS-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001752826114 1184924864 /nfs/dbraw/zinc/92/48/64/1184924864.db2.gz PKQMFFJUCRTMDS-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001753449015 1185212938 /nfs/dbraw/zinc/21/29/38/1185212938.db2.gz BGDLHUKLLVAUFF-HUUCEWRRSA-N 2 2 290.411 1.771 20 30 CDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001753449015 1185212939 /nfs/dbraw/zinc/21/29/39/1185212939.db2.gz BGDLHUKLLVAUFF-HUUCEWRRSA-N 2 2 290.411 1.771 20 30 CDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001753653918 1185289701 /nfs/dbraw/zinc/28/97/01/1185289701.db2.gz KRJIPPDIRYONAD-HUUCEWRRSA-N 2 2 297.443 1.110 20 30 CDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001753653918 1185289706 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C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001026252384 723750147 /nfs/dbraw/zinc/75/01/47/723750147.db2.gz QVXFGRKOCVEROJ-BFHYXJOUSA-N 2 2 288.395 1.355 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C ZINC000986209955 723751438 /nfs/dbraw/zinc/75/14/38/723751438.db2.gz FCVFJBUWUQFIGY-VXGBXAGGSA-N 2 2 296.802 1.674 20 30 CDEDLP CC(C)CCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303791889 723812054 /nfs/dbraw/zinc/81/20/54/723812054.db2.gz XYAOENPOAATBBD-HNNXBMFYSA-N 2 2 297.491 1.209 20 30 CDEDLP C[NH+]1CCN([NH+]=C2CC[C@@H]3CNc4cccc2c43)CC1 ZINC000814686080 723876421 /nfs/dbraw/zinc/87/64/21/723876421.db2.gz TUIPJOBELLRNBM-GFCCVEGCSA-N 2 2 270.380 1.941 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007802461 723962408 /nfs/dbraw/zinc/96/24/08/723962408.db2.gz YCNFRVGAHZNBHT-AWEZNQCLSA-N 2 2 284.363 1.715 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007802461 723962413 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CDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874741 724686113 /nfs/dbraw/zinc/68/61/13/724686113.db2.gz HLMBGOHBNYHFKS-CQSZACIVSA-N 2 2 296.374 1.733 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042249571 724707787 /nfs/dbraw/zinc/70/77/87/724707787.db2.gz NCBCSFXLTYKJOR-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042249571 724707801 /nfs/dbraw/zinc/70/78/01/724707801.db2.gz NCBCSFXLTYKJOR-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006477639 724739851 /nfs/dbraw/zinc/73/98/51/724739851.db2.gz YWHVRHOHHXUNGF-UHFFFAOYSA-N 2 2 276.384 1.382 20 30 CDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001017666528 723700756 /nfs/dbraw/zinc/70/07/56/723700756.db2.gz LLFHOXVOMBLZDB-ZNMIVQPWSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001017666528 723700760 /nfs/dbraw/zinc/70/07/60/723700760.db2.gz LLFHOXVOMBLZDB-ZNMIVQPWSA-N 2 2 277.412 1.332 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001017666528 723700762 /nfs/dbraw/zinc/70/07/62/723700762.db2.gz LLFHOXVOMBLZDB-ZNMIVQPWSA-N 2 2 277.412 1.332 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970812 723727642 /nfs/dbraw/zinc/72/76/42/723727642.db2.gz YNMWSAXXIGNPKC-HNNXBMFYSA-N 2 2 290.411 1.820 20 30 CDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970812 723727643 /nfs/dbraw/zinc/72/76/43/723727643.db2.gz YNMWSAXXIGNPKC-HNNXBMFYSA-N 2 2 290.411 1.820 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000989727841 725048118 /nfs/dbraw/zinc/04/81/18/725048118.db2.gz WESZDQIMDLMPFR-ZYHUDNBSSA-N 2 2 296.802 1.592 20 30 CDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054291715 725083505 /nfs/dbraw/zinc/08/35/05/725083505.db2.gz DFUPEYQOCMBRKU-INIZCTEOSA-N 2 2 297.402 1.203 20 30 CDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291715 725083507 /nfs/dbraw/zinc/08/35/07/725083507.db2.gz DFUPEYQOCMBRKU-INIZCTEOSA-N 2 2 297.402 1.203 20 30 CDEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054291715 725083510 /nfs/dbraw/zinc/08/35/10/725083510.db2.gz DFUPEYQOCMBRKU-INIZCTEOSA-N 2 2 297.402 1.203 20 30 CDEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054291715 725083512 /nfs/dbraw/zinc/08/35/12/725083512.db2.gz DFUPEYQOCMBRKU-INIZCTEOSA-N 2 2 297.402 1.203 20 30 CDEDLP NC(Cc1cccnc1)=[NH+]OCC[NH+]1CCCCC1 ZINC000194407522 725128137 /nfs/dbraw/zinc/12/81/37/725128137.db2.gz JPDSITAKFJFRNR-UHFFFAOYSA-N 2 2 262.357 1.399 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001018994003 725207881 /nfs/dbraw/zinc/20/78/81/725207881.db2.gz ASKVZOBTRAWIIZ-YNEHKIRRSA-N 2 2 274.368 1.280 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001018994003 725207883 /nfs/dbraw/zinc/20/78/83/725207883.db2.gz ASKVZOBTRAWIIZ-YNEHKIRRSA-N 2 2 274.368 1.280 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001044166309 725228603 /nfs/dbraw/zinc/22/86/03/725228603.db2.gz QHHVMOSBCWWZOH-UHFFFAOYSA-N 2 2 291.439 1.437 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC ZINC001037966769 725237703 /nfs/dbraw/zinc/23/77/03/725237703.db2.gz NDALYENUGONOQQ-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001036049730 725275293 /nfs/dbraw/zinc/27/52/93/725275293.db2.gz YJDKRRIZPBYMKG-GXTWGEPZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001036049730 725275295 /nfs/dbraw/zinc/27/52/95/725275295.db2.gz YJDKRRIZPBYMKG-GXTWGEPZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046612918 725321931 /nfs/dbraw/zinc/32/19/31/725321931.db2.gz WXMKVEFKJHTLOU-WBMJQRKESA-N 2 2 288.395 1.596 20 30 CDEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046612918 725321932 /nfs/dbraw/zinc/32/19/32/725321932.db2.gz WXMKVEFKJHTLOU-WBMJQRKESA-N 2 2 288.395 1.596 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001027979980 725335471 /nfs/dbraw/zinc/33/54/71/725335471.db2.gz JYXMCHYSCYREID-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001027979980 725335473 /nfs/dbraw/zinc/33/54/73/725335473.db2.gz JYXMCHYSCYREID-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015002342 725338746 /nfs/dbraw/zinc/33/87/46/725338746.db2.gz ALPWRHFCZOTHGZ-OLZOCXBDSA-N 2 2 288.395 1.200 20 30 CDEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000812764865 725398978 /nfs/dbraw/zinc/39/89/78/725398978.db2.gz KZJLMRPSCVSRAH-GFCCVEGCSA-N 2 2 252.358 1.015 20 30 CDEDLP C=CC[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001054658434 725406734 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C=CC[NH2+][C@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001019833615 725451249 /nfs/dbraw/zinc/45/12/49/725451249.db2.gz NFBVNFGDXABWBW-GJZGRUSLSA-N 2 2 288.395 1.061 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161308453 895654447 /nfs/dbraw/zinc/65/44/47/895654447.db2.gz AIOMAFSJOUFAJG-AWEZNQCLSA-N 2 2 290.411 1.508 20 30 CDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104836430 899558686 /nfs/dbraw/zinc/55/86/86/899558686.db2.gz LTWGXQJOCYGDMA-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105104791 899892705 /nfs/dbraw/zinc/89/27/05/899892705.db2.gz FYGGBPWVIANVAZ-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652954 900722928 /nfs/dbraw/zinc/72/29/28/900722928.db2.gz WRYQBXYXDHLGNH-ZDUSSCGKSA-N 2 2 276.384 1.071 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652954 900722934 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CYEDWZHALXTTJI-UHFFFAOYSA-N 2 2 290.411 1.937 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136052352 930623876 /nfs/dbraw/zinc/62/38/76/930623876.db2.gz PFCFKDDKHFBIMC-KGLIPLIRSA-N 2 2 292.427 1.802 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153344794 937440852 /nfs/dbraw/zinc/44/08/52/937440852.db2.gz KYIZORPQLSPPAA-CQSZACIVSA-N 2 2 278.400 1.724 20 30 CDEDLP Cc1cc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC001144169628 931689503 /nfs/dbraw/zinc/68/95/03/931689503.db2.gz PCZGMELYCIMMNW-UHFFFAOYSA-N 2 2 293.374 1.979 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001091107016 931824109 /nfs/dbraw/zinc/82/41/09/931824109.db2.gz ZRLXTVMYLSCYHX-MOKVOYLWSA-N 2 2 288.395 1.116 20 30 CDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154536972 937555479 /nfs/dbraw/zinc/55/54/79/937555479.db2.gz IKPSEAJUBBMQGK-CQSZACIVSA-N 2 2 278.400 1.676 20 30 CDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154536972 937555481 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CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161300351 938885664 /nfs/dbraw/zinc/88/56/64/938885664.db2.gz KMPGGJZCUIVZJY-LBPRGKRZSA-N 2 2 296.802 1.294 20 30 CDEDLP C=C(C)CNc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001163373974 939258653 /nfs/dbraw/zinc/25/86/53/939258653.db2.gz DFLUWKKIAAZOTF-UHFFFAOYSA-N 2 2 275.400 1.948 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1F ZINC001206174559 939991021 /nfs/dbraw/zinc/99/10/21/939991021.db2.gz OFVYYYKIRWFYHJ-GXTWGEPZSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1F ZINC001206174559 939991022 /nfs/dbraw/zinc/99/10/22/939991022.db2.gz OFVYYYKIRWFYHJ-GXTWGEPZSA-N 2 2 265.307 1.959 20 30 CDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208365950 940325503 /nfs/dbraw/zinc/32/55/03/940325503.db2.gz UGSXGPOWCMZVRM-BFHYXJOUSA-N 2 2 286.379 1.117 20 30 CDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365950 940325508 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C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246710471 948412736 /nfs/dbraw/zinc/41/27/36/948412736.db2.gz WSJVRHXMBAWMPA-NVXWUHKLSA-N 2 2 291.439 1.772 20 30 CDEDLP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246710471 948412742 /nfs/dbraw/zinc/41/27/42/948412742.db2.gz WSJVRHXMBAWMPA-NVXWUHKLSA-N 2 2 291.439 1.772 20 30 CDEDLP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001252579471 951471295 /nfs/dbraw/zinc/47/12/95/951471295.db2.gz MAZQQMRLBPGOLN-QGZVFWFLSA-N 2 2 290.407 1.883 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001369011938 959401727 /nfs/dbraw/zinc/40/17/27/959401727.db2.gz XUERTIJZVDAHJW-NSHDSACASA-N 2 2 284.791 1.381 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001369011938 959401731 /nfs/dbraw/zinc/40/17/31/959401731.db2.gz XUERTIJZVDAHJW-NSHDSACASA-N 2 2 284.791 1.381 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370058398 959973816 /nfs/dbraw/zinc/97/38/16/959973816.db2.gz DJLIRCIAXXOOPU-CQSZACIVSA-N 2 2 299.846 1.805 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370058398 959973832 /nfs/dbraw/zinc/97/38/32/959973832.db2.gz DJLIRCIAXXOOPU-CQSZACIVSA-N 2 2 299.846 1.805 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001406702941 976374912 /nfs/dbraw/zinc/37/49/12/976374912.db2.gz ULJUDGSNWJUEPC-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001406702941 976374921 /nfs/dbraw/zinc/37/49/21/976374921.db2.gz ULJUDGSNWJUEPC-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)CC ZINC001406702941 976374932 /nfs/dbraw/zinc/37/49/32/976374932.db2.gz ULJUDGSNWJUEPC-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)CC ZINC001406702941 976374941 /nfs/dbraw/zinc/37/49/41/976374941.db2.gz ULJUDGSNWJUEPC-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222201 1163203193 /nfs/dbraw/zinc/20/31/93/1163203193.db2.gz VFIPVPUPOZCHGL-CABCVRRESA-N 2 2 288.395 1.266 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222201 1163203201 /nfs/dbraw/zinc/20/32/01/1163203201.db2.gz VFIPVPUPOZCHGL-CABCVRRESA-N 2 2 288.395 1.266 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132874082 1163498646 /nfs/dbraw/zinc/49/86/46/1163498646.db2.gz DKRJRRKXUPTHFS-UONOGXRCSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132874082 1163498649 /nfs/dbraw/zinc/49/86/49/1163498649.db2.gz DKRJRRKXUPTHFS-UONOGXRCSA-N 2 2 290.411 1.603 20 30 CDEDLP Cc1nc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589863362 342515902 /nfs/dbraw/zinc/51/59/02/342515902.db2.gz YENPKEOVRPHKLG-OAHLLOKOSA-N 2 2 299.422 1.264 20 30 CDEDLP Cc1nc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589863362 342515903 /nfs/dbraw/zinc/51/59/03/342515903.db2.gz YENPKEOVRPHKLG-OAHLLOKOSA-N 2 2 299.422 1.264 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000593019657 342758042 /nfs/dbraw/zinc/75/80/42/342758042.db2.gz XBHLNUNJOYKFLP-JSGCOSHPSA-N 2 2 278.400 1.093 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000593019657 342758044 /nfs/dbraw/zinc/75/80/44/342758044.db2.gz XBHLNUNJOYKFLP-JSGCOSHPSA-N 2 2 278.400 1.093 20 30 CDEDLP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330246649 282182042 /nfs/dbraw/zinc/18/20/42/282182042.db2.gz FHMOQLTUZWUCCS-CHWSQXEVSA-N 2 2 291.399 1.138 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000088696680 342386881 /nfs/dbraw/zinc/38/68/81/342386881.db2.gz GEFMDQHPPIYHGQ-WBVHZDCISA-N 2 2 299.418 1.236 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000088696680 342386882 /nfs/dbraw/zinc/38/68/82/342386882.db2.gz GEFMDQHPPIYHGQ-WBVHZDCISA-N 2 2 299.418 1.236 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCn1cc[nH+]c1 ZINC000602501698 344442608 /nfs/dbraw/zinc/44/26/08/344442608.db2.gz CAOZMWNTORAKMI-CYBMUJFWSA-N 2 2 262.357 1.572 20 30 CDEDLP CC(C)[C@@H](C#N)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000611431830 346781996 /nfs/dbraw/zinc/78/19/96/346781996.db2.gz CMRUFYMJCCJLPT-OAHLLOKOSA-N 2 2 275.400 1.439 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(N(C)C)n2C)CC1 ZINC000414328438 362933898 /nfs/dbraw/zinc/93/38/98/362933898.db2.gz HCKOXCXMFHJYRV-UHFFFAOYSA-N 2 2 291.443 1.616 20 30 CDEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(C#N)n3)C2)C1 ZINC000602676592 350140328 /nfs/dbraw/zinc/14/03/28/350140328.db2.gz TXMGPPMSORXBDT-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(C#N)n3)C2)C1 ZINC000602676592 350140331 /nfs/dbraw/zinc/14/03/31/350140331.db2.gz TXMGPPMSORXBDT-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(C#N)n3)C2)C1 ZINC000602676592 350140334 /nfs/dbraw/zinc/14/03/34/350140334.db2.gz TXMGPPMSORXBDT-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(C#N)n3)C2)C1 ZINC000602676592 350140339 /nfs/dbraw/zinc/14/03/39/350140339.db2.gz TXMGPPMSORXBDT-INIZCTEOSA-N 2 2 270.380 1.871 20 30 CDEDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C#N)c(F)c1 ZINC000567490903 358689280 /nfs/dbraw/zinc/68/92/80/358689280.db2.gz XFFMBZBFEXVQJW-BXUZGUMPSA-N 2 2 277.343 1.726 20 30 CDEDLP C=CC(C)(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335230710 359073132 /nfs/dbraw/zinc/07/31/32/359073132.db2.gz QLRJOVIUCCGIGG-CQSZACIVSA-N 2 2 293.455 1.826 20 30 CDEDLP C=CC(C)(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335230710 359073135 /nfs/dbraw/zinc/07/31/35/359073135.db2.gz QLRJOVIUCCGIGG-CQSZACIVSA-N 2 2 293.455 1.826 20 30 CDEDLP CN(Cc1[nH+]ccn1C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329314422 361476467 /nfs/dbraw/zinc/47/64/67/361476467.db2.gz QFHBTDWQAZECFX-UHFFFAOYSA-N 2 2 291.399 1.393 20 30 CDEDLP CC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000581526817 363997997 /nfs/dbraw/zinc/99/79/97/363997997.db2.gz VINUKRFEMBWZFD-OAHLLOKOSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000581526817 363998005 /nfs/dbraw/zinc/99/80/05/363998005.db2.gz VINUKRFEMBWZFD-OAHLLOKOSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000581526817 363998010 /nfs/dbraw/zinc/99/80/10/363998010.db2.gz VINUKRFEMBWZFD-OAHLLOKOSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000581526817 363998015 /nfs/dbraw/zinc/99/80/15/363998015.db2.gz VINUKRFEMBWZFD-OAHLLOKOSA-N 2 2 261.369 1.303 20 30 CDEDLP C[C@@H](CNC[C@@H](O)C[N@H+](C)CCC#N)[NH+]1CCCC[C@H]1C ZINC000565703924 370511301 /nfs/dbraw/zinc/51/13/01/370511301.db2.gz GDRLVAWWKWOZRW-OWCLPIDISA-N 2 2 296.459 1.045 20 30 CDEDLP C[C@@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)[NH+]1CCCC[C@H]1C ZINC000565703924 370511304 /nfs/dbraw/zinc/51/13/04/370511304.db2.gz GDRLVAWWKWOZRW-OWCLPIDISA-N 2 2 296.459 1.045 20 30 CDEDLP C[C@@H](CNC[C@@H](O)C[NH+](C)CCC#N)[N@@H+]1CCCC[C@H]1C ZINC000565703924 370511308 /nfs/dbraw/zinc/51/13/08/370511308.db2.gz GDRLVAWWKWOZRW-OWCLPIDISA-N 2 2 296.459 1.045 20 30 CDEDLP C[C@@H](CNC[C@@H](O)C[NH+](C)CCC#N)[N@H+]1CCCC[C@H]1C ZINC000565703924 370511312 /nfs/dbraw/zinc/51/13/12/370511312.db2.gz GDRLVAWWKWOZRW-OWCLPIDISA-N 2 2 296.459 1.045 20 30 CDEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@](C)(O)C[NH2+]C ZINC000573331151 371505095 /nfs/dbraw/zinc/50/50/95/371505095.db2.gz NPRMXFUAGVWCAC-INIZCTEOSA-N 2 2 278.396 1.654 20 30 CDEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@](C)(O)C[NH2+]C ZINC000573331151 371505101 /nfs/dbraw/zinc/50/51/01/371505101.db2.gz NPRMXFUAGVWCAC-INIZCTEOSA-N 2 2 278.396 1.654 20 30 CDEDLP COc1cc(C[N@H+](C)C2(C[NH3+])CCC2)ccc1C#N ZINC000385450004 374254342 /nfs/dbraw/zinc/25/43/42/374254342.db2.gz JDAKKHPBTHDILN-UHFFFAOYSA-N 2 2 259.353 1.880 20 30 CDEDLP COc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)ccc1C#N ZINC000385450004 374254350 /nfs/dbraw/zinc/25/43/50/374254350.db2.gz JDAKKHPBTHDILN-UHFFFAOYSA-N 2 2 259.353 1.880 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000093132896 374732046 /nfs/dbraw/zinc/73/20/46/374732046.db2.gz OLFJSEUJIQIDEU-CQSZACIVSA-N 2 2 288.395 1.363 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000093132896 374732056 /nfs/dbraw/zinc/73/20/56/374732056.db2.gz OLFJSEUJIQIDEU-CQSZACIVSA-N 2 2 288.395 1.363 20 30 CDEDLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000328840946 375982295 /nfs/dbraw/zinc/98/22/95/375982295.db2.gz OLLQKYGSOQLFKA-GFCCVEGCSA-N 2 2 276.384 1.794 20 30 CDEDLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000328840946 375982303 /nfs/dbraw/zinc/98/23/03/375982303.db2.gz OLLQKYGSOQLFKA-GFCCVEGCSA-N 2 2 276.384 1.794 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC000280334043 377949016 /nfs/dbraw/zinc/94/90/16/377949016.db2.gz DILJPBQXFRFASE-UHFFFAOYSA-N 2 2 290.411 1.509 20 30 CDEDLP N#CCCOCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000339023597 391242918 /nfs/dbraw/zinc/24/29/18/391242918.db2.gz LDLBZYNQFMZLHQ-AWEZNQCLSA-N 2 2 261.325 1.465 20 30 CDEDLP N#CCCOCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000339023597 391242922 /nfs/dbraw/zinc/24/29/22/391242922.db2.gz LDLBZYNQFMZLHQ-AWEZNQCLSA-N 2 2 261.325 1.465 20 30 CDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000330414009 391419352 /nfs/dbraw/zinc/41/93/52/391419352.db2.gz AVQSOCROVGVQRD-UHFFFAOYSA-N 2 2 296.415 1.007 20 30 CDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000330414009 391419355 /nfs/dbraw/zinc/41/93/55/391419355.db2.gz AVQSOCROVGVQRD-UHFFFAOYSA-N 2 2 296.415 1.007 20 30 CDEDLP C=CCc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OC)c1O ZINC000359457978 391596723 /nfs/dbraw/zinc/59/67/23/391596723.db2.gz JTBMUKVMXWIKPE-GASCZTMLSA-N 2 2 288.391 1.781 20 30 CDEDLP C=CCc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OC)c1O ZINC000359457978 391596727 /nfs/dbraw/zinc/59/67/27/391596727.db2.gz JTBMUKVMXWIKPE-GASCZTMLSA-N 2 2 288.391 1.781 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000282108828 391672268 /nfs/dbraw/zinc/67/22/68/391672268.db2.gz WUGGEAKWCGWYEC-QLFBSQMISA-N 2 2 288.395 1.553 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000282108828 391672271 /nfs/dbraw/zinc/67/22/71/391672271.db2.gz WUGGEAKWCGWYEC-QLFBSQMISA-N 2 2 288.395 1.553 20 30 CDEDLP C#CCNC(=[NH+]CC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261968732 391744492 /nfs/dbraw/zinc/74/44/92/391744492.db2.gz MCYOFLRWMAAWLS-KBPBESRZSA-N 2 2 273.384 1.365 20 30 CDEDLP CN1CC[NH+]=C1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000262661266 391808026 /nfs/dbraw/zinc/80/80/26/391808026.db2.gz MZVQGXYXSFZTCG-UHFFFAOYSA-N 2 2 273.315 1.402 20 30 CDEDLP C[C@H]1C[NH+]=C(NC[C@@H](c2ccsc2)[NH+](C)C)N1 ZINC000262680712 391811943 /nfs/dbraw/zinc/81/19/43/391811943.db2.gz WAKNYRCKIBQIGO-ONGXEEELSA-N 2 2 252.387 1.288 20 30 CDEDLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)ccc1C#N ZINC000415037321 392849538 /nfs/dbraw/zinc/84/95/38/392849538.db2.gz KXHMDHJZBLPXLK-CQSZACIVSA-N 2 2 259.353 1.797 20 30 CDEDLP Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425198234 392992158 /nfs/dbraw/zinc/99/21/58/392992158.db2.gz DWSPTDDIQZQCKL-AWEZNQCLSA-N 2 2 270.336 1.991 20 30 CDEDLP Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)c(C#N)c[nH+]1 ZINC000425235651 393000870 /nfs/dbraw/zinc/00/08/70/393000870.db2.gz PCEBNBSBCGERFM-AWEZNQCLSA-N 2 2 276.409 1.533 20 30 CDEDLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000293113184 263137933 /nfs/dbraw/zinc/13/79/33/263137933.db2.gz OTVVILFPDCYWJZ-ZIAGYGMSSA-N 2 2 286.379 1.904 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000340506857 263178760 /nfs/dbraw/zinc/17/87/60/263178760.db2.gz UMGJGFLGBRJUBT-ZTFGCOKTSA-N 2 2 299.418 1.687 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000340506857 263178761 /nfs/dbraw/zinc/17/87/61/263178761.db2.gz UMGJGFLGBRJUBT-ZTFGCOKTSA-N 2 2 299.418 1.687 20 30 CDEDLP C=CCN(Cc1cccs1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653060528 424195958 /nfs/dbraw/zinc/19/59/58/424195958.db2.gz GYYBWCULHRUPNI-CYBMUJFWSA-N 2 2 281.425 1.542 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000577729875 317390599 /nfs/dbraw/zinc/39/05/99/317390599.db2.gz DTHWPZCUGZQTEF-IAQYHMDHSA-N 2 2 296.378 1.173 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000577729875 317390602 /nfs/dbraw/zinc/39/06/02/317390602.db2.gz DTHWPZCUGZQTEF-IAQYHMDHSA-N 2 2 296.378 1.173 20 30 CDEDLP C[NH+]=C(NCC(F)F)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262026546 328144009 /nfs/dbraw/zinc/14/40/09/328144009.db2.gz ZVGYFHNPIYOKJA-GHMZBOCLSA-N 2 2 285.342 1.607 20 30 CDEDLP CSc1ccc([C@@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)cc1 ZINC000263211884 330049479 /nfs/dbraw/zinc/04/94/79/330049479.db2.gz ZDYWHANTBMNDMP-SMDDNHRTSA-N 2 2 292.452 1.949 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000424159425 330306260 /nfs/dbraw/zinc/30/62/60/330306260.db2.gz SRKJUHHMDGBSJS-CYBMUJFWSA-N 2 2 289.383 1.411 20 30 CDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000424186397 330320962 /nfs/dbraw/zinc/32/09/62/330320962.db2.gz GWRAQBIOENCDND-CQSZACIVSA-N 2 2 297.362 1.510 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)nn1 ZINC000424295783 330335992 /nfs/dbraw/zinc/33/59/92/330335992.db2.gz NJOVPYAIQSQNOG-MBNYWOFBSA-N 2 2 263.389 1.282 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)nn1 ZINC000424295783 330335993 /nfs/dbraw/zinc/33/59/93/330335993.db2.gz NJOVPYAIQSQNOG-MBNYWOFBSA-N 2 2 263.389 1.282 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000491164669 332159300 /nfs/dbraw/zinc/15/93/00/332159300.db2.gz DIPMZHPGBWSAOO-CABCVRRESA-N 3 2 251.418 1.261 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000491164669 332159302 /nfs/dbraw/zinc/15/93/02/332159302.db2.gz DIPMZHPGBWSAOO-CABCVRRESA-N 3 2 251.418 1.261 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](CC)C[C@H]1C ZINC000491164669 332159304 /nfs/dbraw/zinc/15/93/04/332159304.db2.gz DIPMZHPGBWSAOO-CABCVRRESA-N 3 2 251.418 1.261 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](CC)C[C@H]1C ZINC000491164669 332159305 /nfs/dbraw/zinc/15/93/05/332159305.db2.gz DIPMZHPGBWSAOO-CABCVRRESA-N 3 2 251.418 1.261 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027792760 1159728483 /nfs/dbraw/zinc/72/84/83/1159728483.db2.gz VKNDAPAMTXRPRV-QWHCGFSZSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027792760 1159728487 /nfs/dbraw/zinc/72/84/87/1159728487.db2.gz VKNDAPAMTXRPRV-QWHCGFSZSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792760 1159728492 /nfs/dbraw/zinc/72/84/92/1159728492.db2.gz VKNDAPAMTXRPRV-QWHCGFSZSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792760 1159728495 /nfs/dbraw/zinc/72/84/95/1159728495.db2.gz VKNDAPAMTXRPRV-QWHCGFSZSA-N 2 2 285.819 1.414 20 30 CDEDLP CCC#C[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699411 482967165 /nfs/dbraw/zinc/96/71/65/482967165.db2.gz LFYSXPUADLNGTH-HOTGVXAUSA-N 2 2 264.413 1.833 20 30 CDEDLP CCC#C[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699411 482967171 /nfs/dbraw/zinc/96/71/71/482967171.db2.gz LFYSXPUADLNGTH-HOTGVXAUSA-N 2 2 264.413 1.833 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000685000799 483064811 /nfs/dbraw/zinc/06/48/11/483064811.db2.gz XMMJTEQHVYANLJ-ZIAGYGMSSA-N 2 2 274.368 1.307 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000685000799 483064816 /nfs/dbraw/zinc/06/48/16/483064816.db2.gz XMMJTEQHVYANLJ-ZIAGYGMSSA-N 2 2 274.368 1.307 20 30 CDEDLP C#CCOc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000113311873 527104002 /nfs/dbraw/zinc/10/40/02/527104002.db2.gz RRSUTOQXVYSXAC-UHFFFAOYSA-N 2 2 288.391 1.511 20 30 CDEDLP C=C[C@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000353566507 527592179 /nfs/dbraw/zinc/59/21/79/527592179.db2.gz DRGYYJKCMRGNBL-SNVBAGLBSA-N 2 2 266.307 1.540 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000730104591 574850482 /nfs/dbraw/zinc/85/04/82/574850482.db2.gz SARYBUQTCYHYEK-HNNXBMFYSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000730104591 574850484 /nfs/dbraw/zinc/85/04/84/574850484.db2.gz SARYBUQTCYHYEK-HNNXBMFYSA-N 2 2 291.439 1.465 20 30 CDEDLP CC(=[NH+]n1cnnc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735608652 575491637 /nfs/dbraw/zinc/49/16/37/575491637.db2.gz DXMLGCDLXAOWIH-HNNXBMFYSA-N 2 2 285.351 1.403 20 30 CDEDLP CC(=[NH+]n1cnnc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735608652 575491640 /nfs/dbraw/zinc/49/16/40/575491640.db2.gz DXMLGCDLXAOWIH-HNNXBMFYSA-N 2 2 285.351 1.403 20 30 CDEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000972448908 613090384 /nfs/dbraw/zinc/09/03/84/613090384.db2.gz FPNWCWNMLOACAB-KGLIPLIRSA-N 2 2 274.368 1.000 20 30 CDEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000972448908 613090387 /nfs/dbraw/zinc/09/03/87/613090387.db2.gz FPNWCWNMLOACAB-KGLIPLIRSA-N 2 2 274.368 1.000 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC=C)CC1(C)C ZINC000974699207 613201110 /nfs/dbraw/zinc/20/11/10/613201110.db2.gz JUTQHTIBTTYTQK-LSDHHAIUSA-N 2 2 289.423 1.097 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC=C)CC1(C)C ZINC000974699207 613201111 /nfs/dbraw/zinc/20/11/11/613201111.db2.gz JUTQHTIBTTYTQK-LSDHHAIUSA-N 2 2 289.423 1.097 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C)CC1(C)C ZINC000974699207 613201113 /nfs/dbraw/zinc/20/11/13/613201113.db2.gz JUTQHTIBTTYTQK-LSDHHAIUSA-N 2 2 289.423 1.097 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C)CC1(C)C ZINC000974699207 613201114 /nfs/dbraw/zinc/20/11/14/613201114.db2.gz JUTQHTIBTTYTQK-LSDHHAIUSA-N 2 2 289.423 1.097 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459564 613251435 /nfs/dbraw/zinc/25/14/35/613251435.db2.gz MSNLVZHPDGFNDU-JKSUJKDBSA-N 2 2 291.439 1.178 20 30 CDEDLP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459564 613251438 /nfs/dbraw/zinc/25/14/38/613251438.db2.gz MSNLVZHPDGFNDU-JKSUJKDBSA-N 2 2 291.439 1.178 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000972451473 613288722 /nfs/dbraw/zinc/28/87/22/613288722.db2.gz YWYWNMQCOLLDQN-GJZGRUSLSA-N 2 2 290.411 1.943 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000972451473 613288723 /nfs/dbraw/zinc/28/87/23/613288723.db2.gz YWYWNMQCOLLDQN-GJZGRUSLSA-N 2 2 290.411 1.943 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000949737287 613317906 /nfs/dbraw/zinc/31/79/06/613317906.db2.gz BLFZBBMAVLJRFO-AWEZNQCLSA-N 2 2 265.401 1.191 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000949737287 613317907 /nfs/dbraw/zinc/31/79/07/613317907.db2.gz BLFZBBMAVLJRFO-AWEZNQCLSA-N 2 2 265.401 1.191 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000951628670 613317988 /nfs/dbraw/zinc/31/79/88/613317988.db2.gz ZCMFLTPUCFNORA-HOTGVXAUSA-N 2 2 291.439 1.724 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000951628670 613317990 /nfs/dbraw/zinc/31/79/90/613317990.db2.gz ZCMFLTPUCFNORA-HOTGVXAUSA-N 2 2 291.439 1.724 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595668 613332520 /nfs/dbraw/zinc/33/25/20/613332520.db2.gz CMOFGNKWXCOMLR-WFASDCNBSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595668 613332522 /nfs/dbraw/zinc/33/25/22/613332522.db2.gz CMOFGNKWXCOMLR-WFASDCNBSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981455605 613347444 /nfs/dbraw/zinc/34/74/44/613347444.db2.gz DYKJCIBPOAWFTL-ZIAGYGMSSA-N 2 2 290.411 1.556 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000970131228 613348311 /nfs/dbraw/zinc/34/83/11/613348311.db2.gz ZGHCWUBMJFIWNE-UONOGXRCSA-N 2 2 276.384 1.601 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969136282 613348632 /nfs/dbraw/zinc/34/86/32/613348632.db2.gz UQRPBBWCWAUFBF-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972330107 613369944 /nfs/dbraw/zinc/36/99/44/613369944.db2.gz DNYWBFSYXSYXPU-KGLIPLIRSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000972330107 613369945 /nfs/dbraw/zinc/36/99/45/613369945.db2.gz DNYWBFSYXSYXPU-KGLIPLIRSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000972330107 613369946 /nfs/dbraw/zinc/36/99/46/613369946.db2.gz DNYWBFSYXSYXPU-KGLIPLIRSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000972330107 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1.071 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980297305 613612026 /nfs/dbraw/zinc/61/20/26/613612026.db2.gz YTURSPZNVVPYLA-CQSZACIVSA-N 2 2 276.384 1.071 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810428 613617482 /nfs/dbraw/zinc/61/74/82/613617482.db2.gz FQHDDEFVQJKLQG-UONOGXRCSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810428 613617484 /nfs/dbraw/zinc/61/74/84/613617484.db2.gz FQHDDEFVQJKLQG-UONOGXRCSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000981989445 613692871 /nfs/dbraw/zinc/69/28/71/613692871.db2.gz CZRZILCLIMJUQO-ZIAGYGMSSA-N 2 2 288.395 1.244 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000981989445 613692875 /nfs/dbraw/zinc/69/28/75/613692875.db2.gz CZRZILCLIMJUQO-ZIAGYGMSSA-N 2 2 288.395 1.244 20 30 CDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000965847601 613858158 /nfs/dbraw/zinc/85/81/58/613858158.db2.gz GFGJQJLQDJNHBO-UHFFFAOYSA-N 2 2 288.395 1.166 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000923554890 618343151 /nfs/dbraw/zinc/34/31/51/618343151.db2.gz RPVOQNFFKRGYNE-KBPBESRZSA-N 2 2 274.368 1.048 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000923554890 618343157 /nfs/dbraw/zinc/34/31/57/618343157.db2.gz RPVOQNFFKRGYNE-KBPBESRZSA-N 2 2 274.368 1.048 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132088261 1163171954 /nfs/dbraw/zinc/17/19/54/1163171954.db2.gz VWOSILCWMXRXRH-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132088261 1163171956 /nfs/dbraw/zinc/17/19/56/1163171956.db2.gz VWOSILCWMXRXRH-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132088261 1163171961 /nfs/dbraw/zinc/17/19/61/1163171961.db2.gz VWOSILCWMXRXRH-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132088261 1163171965 /nfs/dbraw/zinc/17/19/65/1163171965.db2.gz VWOSILCWMXRXRH-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001082604730 1161578563 /nfs/dbraw/zinc/57/85/63/1161578563.db2.gz ZUDAVEGDOMGPRW-UMVBOHGHSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001752942900 1161978456 /nfs/dbraw/zinc/97/84/56/1161978456.db2.gz HFWXKQQJCZESHG-ZIAGYGMSSA-N 2 2 288.395 1.070 20 30 CDEDLP Cc1c[nH+]cc(C)c1NC(=O)[C@H]([NH3+])CCCCC#N ZINC001579824477 1172273319 /nfs/dbraw/zinc/27/33/19/1172273319.db2.gz CSRBTCQEEQSRTL-GFCCVEGCSA-N 2 2 260.341 1.470 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001717341235 1180623515 /nfs/dbraw/zinc/62/35/15/1180623515.db2.gz KLPWBKSJXDSUPR-UONOGXRCSA-N 2 2 290.411 1.506 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001731646706 1182499232 /nfs/dbraw/zinc/49/92/32/1182499232.db2.gz PHDLZBQWFIRWBJ-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001752670945 1184891320 /nfs/dbraw/zinc/89/13/20/1184891320.db2.gz ACRYELJGPKIXGM-AVGNSLFASA-N 2 2 276.384 1.401 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001752670945 1184891328 /nfs/dbraw/zinc/89/13/28/1184891328.db2.gz ACRYELJGPKIXGM-AVGNSLFASA-N 2 2 276.384 1.401 20 30 CDEDLP C=CC[N@H+](CC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001753082412 1185048551 /nfs/dbraw/zinc/04/85/51/1185048551.db2.gz JIQKLFYOICZWFL-UHFFFAOYSA-N 2 2 290.411 1.386 20 30 CDEDLP C=CC[N@@H+](CC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001753082412 1185048554 /nfs/dbraw/zinc/04/85/54/1185048554.db2.gz JIQKLFYOICZWFL-UHFFFAOYSA-N 2 2 290.411 1.386 20 30 CDEDLP C=CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001753280111 1185141068 /nfs/dbraw/zinc/14/10/68/1185141068.db2.gz UFBNAYNRXJIWDZ-LBPRGKRZSA-N 2 2 276.384 1.355 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001753450142 1185212638 /nfs/dbraw/zinc/21/26/38/1185212638.db2.gz NHLGGTAWCVZFJF-HNNXBMFYSA-N 2 2 288.395 1.219 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001753450142 1185212641 /nfs/dbraw/zinc/21/26/41/1185212641.db2.gz NHLGGTAWCVZFJF-HNNXBMFYSA-N 2 2 288.395 1.219 20 30 CDEDLP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001753786696 1185334790 /nfs/dbraw/zinc/33/47/90/1185334790.db2.gz ZWJZCYXOVHZRKW-HNNXBMFYSA-N 2 2 288.395 1.336 20 30 CDEDLP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001754022095 1185429193 /nfs/dbraw/zinc/42/91/93/1185429193.db2.gz URLGQORKEPNLOT-GFCCVEGCSA-N 2 2 264.373 1.403 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001755568163 1185993733 /nfs/dbraw/zinc/99/37/33/1185993733.db2.gz FSQOLNQALIOABT-ZDUSSCGKSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001755695804 1186039116 /nfs/dbraw/zinc/03/91/16/1186039116.db2.gz ZMTRPQWJRMDHQF-OLZOCXBDSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001038319625 726170338 /nfs/dbraw/zinc/17/03/38/726170338.db2.gz BEGCZUHBQIQDDS-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001038319625 726170342 /nfs/dbraw/zinc/17/03/42/726170342.db2.gz BEGCZUHBQIQDDS-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001038319625 726170347 /nfs/dbraw/zinc/17/03/47/726170347.db2.gz BEGCZUHBQIQDDS-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001038319625 726170349 /nfs/dbraw/zinc/17/03/49/726170349.db2.gz BEGCZUHBQIQDDS-KBPBESRZSA-N 2 2 265.401 1.237 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000989734726 726316556 /nfs/dbraw/zinc/31/65/56/726316556.db2.gz AODFVCFOKDLKOM-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000989734726 726316560 /nfs/dbraw/zinc/31/65/60/726316560.db2.gz AODFVCFOKDLKOM-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000989734726 726316564 /nfs/dbraw/zinc/31/65/64/726316564.db2.gz AODFVCFOKDLKOM-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000989734726 726316566 /nfs/dbraw/zinc/31/65/66/726316566.db2.gz AODFVCFOKDLKOM-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CCN1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000886659150 726013306 /nfs/dbraw/zinc/01/33/06/726013306.db2.gz DQMNQBJWDCPRHM-QGZVFWFLSA-N 2 2 298.434 1.738 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001044336204 726311989 /nfs/dbraw/zinc/31/19/89/726311989.db2.gz JOZSFYBRUICHHS-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001044336204 726311993 /nfs/dbraw/zinc/31/19/93/726311993.db2.gz JOZSFYBRUICHHS-HNNXBMFYSA-N 2 2 277.412 1.027 20 30 CDEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483684 726372777 /nfs/dbraw/zinc/37/27/77/726372777.db2.gz CALZSIUHEGHUSS-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483684 726372778 /nfs/dbraw/zinc/37/27/78/726372778.db2.gz CALZSIUHEGHUSS-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001042308241 726390670 /nfs/dbraw/zinc/39/06/70/726390670.db2.gz FXKKVDSWGIYNQS-UKRRQHHQSA-N 2 2 288.395 1.071 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001042308241 726390673 /nfs/dbraw/zinc/39/06/73/726390673.db2.gz FXKKVDSWGIYNQS-UKRRQHHQSA-N 2 2 288.395 1.071 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038714097 726841179 /nfs/dbraw/zinc/84/11/79/726841179.db2.gz JOHIHCOUMQWKBY-MGPQQGTHSA-N 2 2 288.395 1.290 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038714097 726841181 /nfs/dbraw/zinc/84/11/81/726841181.db2.gz JOHIHCOUMQWKBY-MGPQQGTHSA-N 2 2 288.395 1.290 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036908799 726868647 /nfs/dbraw/zinc/86/86/47/726868647.db2.gz UDPGAGMRMIEHCG-CABCVRRESA-N 2 2 288.395 1.382 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036908799 726868648 /nfs/dbraw/zinc/86/86/48/726868648.db2.gz UDPGAGMRMIEHCG-CABCVRRESA-N 2 2 288.395 1.382 20 30 CDEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000817982792 726873434 /nfs/dbraw/zinc/87/34/34/726873434.db2.gz HHHZDHRSVWPCAJ-CZUORRHYSA-N 2 2 274.364 1.338 20 30 CDEDLP C=C(C)C[NH+]1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001031670928 726875403 /nfs/dbraw/zinc/87/54/03/726875403.db2.gz NDBMXDDFLPEWLG-UHFFFAOYSA-N 2 2 298.390 1.880 20 30 CDEDLP C[NH+]=C(NCC[NH+]1CCC1)NC[C@@H]1CCc2ccccc21 ZINC000261692572 726890022 /nfs/dbraw/zinc/89/00/22/726890022.db2.gz DHJOTSBTMHMPFN-HNNXBMFYSA-N 2 2 286.423 1.587 20 30 CDEDLP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001042910829 726909720 /nfs/dbraw/zinc/90/97/20/726909720.db2.gz HTEYNVYMYKTFRM-AWEZNQCLSA-N 2 2 288.395 1.479 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130374 727052029 /nfs/dbraw/zinc/05/20/29/727052029.db2.gz CEAHEHUUIQSEOP-ZIAGYGMSSA-N 2 2 288.395 1.283 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130374 727052032 /nfs/dbraw/zinc/05/20/32/727052032.db2.gz CEAHEHUUIQSEOP-ZIAGYGMSSA-N 2 2 288.395 1.283 20 30 CDEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(C#N)c1 ZINC000133808693 727060735 /nfs/dbraw/zinc/06/07/35/727060735.db2.gz MAJDTDIMBCQUQF-SWLSCSKDSA-N 2 2 259.353 1.415 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001044686449 727130814 /nfs/dbraw/zinc/13/08/14/727130814.db2.gz VSMSKCZSUNNFCN-KGLIPLIRSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC000951608687 727171262 /nfs/dbraw/zinc/17/12/62/727171262.db2.gz IPICRDKZAGJDFX-UHFFFAOYSA-N 2 2 279.428 1.437 20 30 CDEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCCO1 ZINC000261876421 727344441 /nfs/dbraw/zinc/34/44/41/727344441.db2.gz QBXRVPROZFLFKG-CQSZACIVSA-N 2 2 299.378 1.456 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccncc1Br ZINC000702882844 727358486 /nfs/dbraw/zinc/35/84/86/727358486.db2.gz AITPLFKKLHGXHX-UHFFFAOYSA-N 2 2 296.212 1.889 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccncc1Br ZINC000702882844 727358488 /nfs/dbraw/zinc/35/84/88/727358488.db2.gz AITPLFKKLHGXHX-UHFFFAOYSA-N 2 2 296.212 1.889 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989853328 727399953 /nfs/dbraw/zinc/39/99/53/727399953.db2.gz HMOPWNWMXDGYLA-NWDGAFQWSA-N 2 2 282.775 1.215 20 30 CDEDLP C#C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000775571191 727403183 /nfs/dbraw/zinc/40/31/83/727403183.db2.gz CDSLMPJZXWKZEL-HOTGVXAUSA-N 2 2 285.391 1.821 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000986217480 727427623 /nfs/dbraw/zinc/42/76/23/727427623.db2.gz XKMPAGGKVRYICE-NWDGAFQWSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869167 727429573 /nfs/dbraw/zinc/42/95/73/727429573.db2.gz BXKCOGQIURLLNP-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869167 727429574 /nfs/dbraw/zinc/42/95/74/727429574.db2.gz BXKCOGQIURLLNP-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C[NH+]1CCN(c2ncc(C=[NH+]OCC3CCC3)cn2)CC1 ZINC000853440071 727441127 /nfs/dbraw/zinc/44/11/27/727441127.db2.gz YRTFAEVCJMDINR-UHFFFAOYSA-N 2 2 289.383 1.379 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246378 727473489 /nfs/dbraw/zinc/47/34/89/727473489.db2.gz DXQVFWQWHDQZKM-JSGCOSHPSA-N 2 2 274.368 1.061 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246378 727473490 /nfs/dbraw/zinc/47/34/90/727473490.db2.gz DXQVFWQWHDQZKM-JSGCOSHPSA-N 2 2 274.368 1.061 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000883131050 727489389 /nfs/dbraw/zinc/48/93/89/727489389.db2.gz DHNWQNBTGIISKB-UHFFFAOYSA-N 2 2 258.369 1.399 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000883131050 727489401 /nfs/dbraw/zinc/48/94/01/727489401.db2.gz DHNWQNBTGIISKB-UHFFFAOYSA-N 2 2 258.369 1.399 20 30 CDEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000996735105 727792816 /nfs/dbraw/zinc/79/28/16/727792816.db2.gz YUWWSHKTTMBACG-CYBMUJFWSA-N 2 2 288.395 1.212 20 30 CDEDLP CCC1([NH+]2CCC2)CC[NH+](CCOCCC#N)CC1 ZINC000886717813 727803410 /nfs/dbraw/zinc/80/34/10/727803410.db2.gz JFAPAKJQFVMVLS-UHFFFAOYSA-N 2 2 265.401 1.867 20 30 CDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081146 727867962 /nfs/dbraw/zinc/86/79/62/727867962.db2.gz HHIPFQFUDGZMFA-LSDHHAIUSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081146 727867963 /nfs/dbraw/zinc/86/79/63/727867963.db2.gz HHIPFQFUDGZMFA-LSDHHAIUSA-N 2 2 277.412 1.075 20 30 CDEDLP C[C@@H](C#N)OCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000802731636 728003275 /nfs/dbraw/zinc/00/32/75/728003275.db2.gz VLYHCFOBGDOLBT-LBPRGKRZSA-N 2 2 290.367 1.314 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248072 728052497 /nfs/dbraw/zinc/05/24/97/728052497.db2.gz LLYYLMLTKXJIAS-BETUJISGSA-N 2 2 294.786 1.026 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248072 728052502 /nfs/dbraw/zinc/05/25/02/728052502.db2.gz LLYYLMLTKXJIAS-BETUJISGSA-N 2 2 294.786 1.026 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001038425219 728096230 /nfs/dbraw/zinc/09/62/30/728096230.db2.gz ZGYXHBMSYJWTTM-ZFWWWQNUSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001038425219 728096236 /nfs/dbraw/zinc/09/62/36/728096236.db2.gz ZGYXHBMSYJWTTM-ZFWWWQNUSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnn1CC1CCC1 ZINC000883131117 728288829 /nfs/dbraw/zinc/28/88/29/728288829.db2.gz HNFMOGWAXZAUHZ-UHFFFAOYSA-N 2 2 274.412 1.728 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnn1CC1CCC1 ZINC000883131117 728288832 /nfs/dbraw/zinc/28/88/32/728288832.db2.gz HNFMOGWAXZAUHZ-UHFFFAOYSA-N 2 2 274.412 1.728 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001095067024 912305558 /nfs/dbraw/zinc/30/55/58/912305558.db2.gz DXJYFFADTMTFLF-IHRRRGAJSA-N 2 2 274.368 1.038 20 30 CDEDLP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC001173424041 912543775 /nfs/dbraw/zinc/54/37/75/912543775.db2.gz ROSRMNDYDOLUAD-HNNXBMFYSA-N 2 2 298.390 1.196 20 30 CDEDLP N#Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC001173424041 912543790 /nfs/dbraw/zinc/54/37/90/912543790.db2.gz ROSRMNDYDOLUAD-HNNXBMFYSA-N 2 2 298.390 1.196 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175003550 913423787 /nfs/dbraw/zinc/42/37/87/913423787.db2.gz TXOXZFBSSVYUJX-UHFFFAOYSA-N 2 2 264.373 1.025 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127292873 913592921 /nfs/dbraw/zinc/59/29/21/913592921.db2.gz NXEIMQCKWOWNDD-UHFFFAOYSA-N 2 2 286.379 1.928 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001106274401 913767104 /nfs/dbraw/zinc/76/71/04/913767104.db2.gz IXUILTAZMRYGFS-AAVRWANBSA-N 2 2 288.395 1.383 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001106274401 913767119 /nfs/dbraw/zinc/76/71/19/913767119.db2.gz IXUILTAZMRYGFS-AAVRWANBSA-N 2 2 288.395 1.383 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021680206 895621049 /nfs/dbraw/zinc/62/10/49/895621049.db2.gz WOJXBBCTUSVXDL-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021680206 895621058 /nfs/dbraw/zinc/62/10/58/895621058.db2.gz WOJXBBCTUSVXDL-DZGCQCFKSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528639 896708800 /nfs/dbraw/zinc/70/88/00/896708800.db2.gz CRFJMXJJHBNLDE-UHFFFAOYSA-N 2 2 296.802 1.581 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089505413 914767997 /nfs/dbraw/zinc/76/79/97/914767997.db2.gz HHKYARAUDGMHCN-ZDUSSCGKSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089505413 914768011 /nfs/dbraw/zinc/76/80/11/914768011.db2.gz HHKYARAUDGMHCN-ZDUSSCGKSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1CC ZINC001087797544 905856273 /nfs/dbraw/zinc/85/62/73/905856273.db2.gz VFPICSZJVXLTQY-LSDHHAIUSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1CC ZINC001087797544 905856292 /nfs/dbraw/zinc/85/62/92/905856292.db2.gz VFPICSZJVXLTQY-LSDHHAIUSA-N 2 2 290.411 1.508 20 30 CDEDLP C#CCC[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363340 909577489 /nfs/dbraw/zinc/57/74/89/909577489.db2.gz DQYMNDOHORJDDV-UHFFFAOYSA-N 2 2 298.390 1.304 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC(CC)CC)C1 ZINC001030463999 911874492 /nfs/dbraw/zinc/87/44/92/911874492.db2.gz CTAXQJLFDDNRMY-INIZCTEOSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC(CC)CC)C1 ZINC001030463999 911874501 /nfs/dbraw/zinc/87/45/01/911874501.db2.gz CTAXQJLFDDNRMY-INIZCTEOSA-N 2 2 291.439 1.321 20 30 CDEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180470839 916403294 /nfs/dbraw/zinc/40/32/94/916403294.db2.gz WYSKCHXUDFFUSB-UHFFFAOYSA-N 2 2 298.818 1.902 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115161 918308768 /nfs/dbraw/zinc/30/87/68/918308768.db2.gz DEYIRZVYJGYKNM-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183115161 918308782 /nfs/dbraw/zinc/30/87/82/918308782.db2.gz DEYIRZVYJGYKNM-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001050772812 936563916 /nfs/dbraw/zinc/56/39/16/936563916.db2.gz VAEDLITUMXLGTE-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999008547 919652412 /nfs/dbraw/zinc/65/24/12/919652412.db2.gz ZYKJBYNQUURLAK-IYXRBSQSSA-N 2 2 288.395 1.211 20 30 CDEDLP N#Cc1ccc([C@H](O)C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000923397000 923804493 /nfs/dbraw/zinc/80/44/93/923804493.db2.gz ANLAAZZVKAHLOP-OAGGEKHMSA-N 2 2 271.364 1.405 20 30 CDEDLP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000923397000 923804503 /nfs/dbraw/zinc/80/45/03/923804503.db2.gz ANLAAZZVKAHLOP-OAGGEKHMSA-N 2 2 271.364 1.405 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086427551 927115095 /nfs/dbraw/zinc/11/50/95/927115095.db2.gz XGALBQLYGPNPTL-JOCQHMNTSA-N 2 2 284.363 1.618 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086481911 927189294 /nfs/dbraw/zinc/18/92/94/927189294.db2.gz FAQVWZNVHKBOGJ-AAVRWANBSA-N 2 2 288.395 1.194 20 30 CDEDLP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108834840 928659712 /nfs/dbraw/zinc/65/97/12/928659712.db2.gz BXCPMIMMOGMFIZ-KKUMJFAQSA-N 2 2 288.395 1.428 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135575773 930275064 /nfs/dbraw/zinc/27/50/64/930275064.db2.gz LHYDGUNISIXUIZ-MNOVXSKESA-N 2 2 250.346 1.011 20 30 CDEDLP CC#CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656310 930578186 /nfs/dbraw/zinc/57/81/86/930578186.db2.gz FHAWMOGDKQAGOW-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP CC#CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656310 930578195 /nfs/dbraw/zinc/57/81/95/930578195.db2.gz FHAWMOGDKQAGOW-UHFFFAOYSA-N 2 2 277.412 1.028 20 30 CDEDLP CCCCCCC[NH2+][C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246229301 931267483 /nfs/dbraw/zinc/26/74/83/931267483.db2.gz JIOINCSGMDRXKB-KGLIPLIRSA-N 2 2 299.484 1.810 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146754341 932306105 /nfs/dbraw/zinc/30/61/05/932306105.db2.gz DUUBWEDXHXKBJJ-CHWSQXEVSA-N 2 2 264.373 1.332 20 30 CDEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156017238 937694718 /nfs/dbraw/zinc/69/47/18/937694718.db2.gz ZLXFVAMZCANNAM-CYBMUJFWSA-N 2 2 278.400 1.745 20 30 CDEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156017238 937694720 /nfs/dbraw/zinc/69/47/20/937694720.db2.gz ZLXFVAMZCANNAM-CYBMUJFWSA-N 2 2 278.400 1.745 20 30 CDEDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001119631494 937741725 /nfs/dbraw/zinc/74/17/25/937741725.db2.gz WMPXMTTZLCODKI-AWEZNQCLSA-N 2 2 259.353 1.819 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037937164 935318331 /nfs/dbraw/zinc/31/83/31/935318331.db2.gz YIVHOGGRNKMGGO-JSGCOSHPSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001014995536 935556415 /nfs/dbraw/zinc/55/64/15/935556415.db2.gz JXNKODRPEKDAMF-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001014995536 935556420 /nfs/dbraw/zinc/55/64/20/935556420.db2.gz JXNKODRPEKDAMF-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001043598535 935840755 /nfs/dbraw/zinc/84/07/55/935840755.db2.gz HCGXJBQCOIWWCT-AWEZNQCLSA-N 2 2 279.428 1.437 20 30 CDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001043598535 935840758 /nfs/dbraw/zinc/84/07/58/935840758.db2.gz HCGXJBQCOIWWCT-AWEZNQCLSA-N 2 2 279.428 1.437 20 30 CDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096543316 936153265 /nfs/dbraw/zinc/15/32/65/936153265.db2.gz OOEXYIAVILLOLV-CRWXNKLISA-N 2 2 297.830 1.412 20 30 CDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001096543316 936153268 /nfs/dbraw/zinc/15/32/68/936153268.db2.gz OOEXYIAVILLOLV-CRWXNKLISA-N 2 2 297.830 1.412 20 30 CDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096543316 936153270 /nfs/dbraw/zinc/15/32/70/936153270.db2.gz OOEXYIAVILLOLV-CRWXNKLISA-N 2 2 297.830 1.412 20 30 CDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096543316 936153273 /nfs/dbraw/zinc/15/32/73/936153273.db2.gz OOEXYIAVILLOLV-CRWXNKLISA-N 2 2 297.830 1.412 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161323598 938889172 /nfs/dbraw/zinc/88/91/72/938889172.db2.gz OVZUEWOBSCTYKD-AWEZNQCLSA-N 2 2 290.411 1.508 20 30 CDEDLP C#CC[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785332 938932456 /nfs/dbraw/zinc/93/24/56/938932456.db2.gz MPQSPZZBHJYIKA-UHFFFAOYSA-N 2 2 286.379 1.032 20 30 CDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785332 938932457 /nfs/dbraw/zinc/93/24/57/938932457.db2.gz MPQSPZZBHJYIKA-UHFFFAOYSA-N 2 2 286.379 1.032 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162433666 939053397 /nfs/dbraw/zinc/05/33/97/939053397.db2.gz ZBYKZUYTVKDOMH-UHFFFAOYSA-N 2 2 272.352 1.620 20 30 CDEDLP CC(=NCc1cccc(C[NH3+])c1)Nc1cc[nH+]c(N)n1 ZINC001163473059 939274145 /nfs/dbraw/zinc/27/41/45/939274145.db2.gz KBDBMWMCTZNHEP-UHFFFAOYSA-N 2 2 270.340 1.548 20 30 CDEDLP N#Cc1ccc2cc[nH+]c(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c2c1 ZINC001165284071 939540282 /nfs/dbraw/zinc/54/02/82/939540282.db2.gz RUSXNQKJACUTSW-PBHICJAKSA-N 2 2 294.358 1.125 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(Cl)c1 ZINC001205724919 939926777 /nfs/dbraw/zinc/92/67/77/939926777.db2.gz AMAQRYBWHGYAOT-OAHLLOKOSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(Cl)c1 ZINC001205724919 939926778 /nfs/dbraw/zinc/92/67/78/939926778.db2.gz AMAQRYBWHGYAOT-OAHLLOKOSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1F ZINC001206214214 939998794 /nfs/dbraw/zinc/99/87/94/939998794.db2.gz XWJAHWQXUNGHHT-STQMWFEESA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1F ZINC001206214214 939998798 /nfs/dbraw/zinc/99/87/98/939998798.db2.gz XWJAHWQXUNGHHT-STQMWFEESA-N 2 2 265.307 1.959 20 30 CDEDLP C#CC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206968710 940119152 /nfs/dbraw/zinc/11/91/52/940119152.db2.gz VOFHZXWSFNBPGW-UHFFFAOYSA-N 2 2 288.395 1.125 20 30 CDEDLP CC#CC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001230434584 942619479 /nfs/dbraw/zinc/61/94/79/942619479.db2.gz NMIFZAFFBFYFMR-UHFFFAOYSA-N 2 2 288.395 1.267 20 30 CDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256564030 948346543 /nfs/dbraw/zinc/34/65/43/948346543.db2.gz NVWGVIXTFGFSKI-JQWIXIFHSA-N 2 2 269.389 1.075 20 30 CDEDLP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246710475 948412979 /nfs/dbraw/zinc/41/29/79/948412979.db2.gz WSJVRHXMBAWMPA-WBVHZDCISA-N 2 2 291.439 1.772 20 30 CDEDLP C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246710475 948412985 /nfs/dbraw/zinc/41/29/85/948412985.db2.gz WSJVRHXMBAWMPA-WBVHZDCISA-N 2 2 291.439 1.772 20 30 CDEDLP C=CCOC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252483006 951346920 /nfs/dbraw/zinc/34/69/20/951346920.db2.gz PYOVBSXXDQZWSI-MRXNPFEDSA-N 2 2 287.363 1.525 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001252558293 951451799 /nfs/dbraw/zinc/45/17/99/951451799.db2.gz SHDBQXYSPRSMNY-HNNXBMFYSA-N 2 2 277.368 1.149 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001366898493 957256676 /nfs/dbraw/zinc/25/66/76/957256676.db2.gz RARZVXRSCRQYDW-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001366898493 957256679 /nfs/dbraw/zinc/25/66/79/957256679.db2.gz RARZVXRSCRQYDW-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001366898493 957256686 /nfs/dbraw/zinc/25/66/86/957256686.db2.gz RARZVXRSCRQYDW-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001366898493 957256694 /nfs/dbraw/zinc/25/66/94/957256694.db2.gz RARZVXRSCRQYDW-CYBMUJFWSA-N 2 2 287.835 1.661 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570822 342637196 /nfs/dbraw/zinc/63/71/96/342637196.db2.gz TVBIGUMZKFHUIU-BXUZGUMPSA-N 2 2 277.343 1.554 20 30 CDEDLP N#CC[C@@]1(O)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000592521970 342702005 /nfs/dbraw/zinc/70/20/05/342702005.db2.gz FWLFVCRRIHQUOR-CQSZACIVSA-N 2 2 256.309 1.185 20 30 CDEDLP N#CC[C@@]1(O)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000592521970 342702006 /nfs/dbraw/zinc/70/20/06/342702006.db2.gz FWLFVCRRIHQUOR-CQSZACIVSA-N 2 2 256.309 1.185 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(OC)ncc1F ZINC000295058475 199322877 /nfs/dbraw/zinc/32/28/77/199322877.db2.gz QXMUQMOBRMAFFK-GFCCVEGCSA-N 2 2 279.359 1.835 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(OC)ncc1F ZINC000295058475 199322879 /nfs/dbraw/zinc/32/28/79/199322879.db2.gz QXMUQMOBRMAFFK-GFCCVEGCSA-N 2 2 279.359 1.835 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000598724062 343885233 /nfs/dbraw/zinc/88/52/33/343885233.db2.gz LULFGGSLSABVGA-RYUDHWBXSA-N 2 2 262.357 1.088 20 30 CDEDLP C[C@H](CCC#N)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000602563924 344481804 /nfs/dbraw/zinc/48/18/04/344481804.db2.gz IDHXGVAVIINVFX-OLZOCXBDSA-N 2 2 255.431 1.953 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000602675963 344525597 /nfs/dbraw/zinc/52/55/97/344525597.db2.gz XSHMNPCLHPXZBV-ZIAGYGMSSA-N 2 2 253.390 1.363 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000602675963 344525599 /nfs/dbraw/zinc/52/55/99/344525599.db2.gz XSHMNPCLHPXZBV-ZIAGYGMSSA-N 2 2 253.390 1.363 20 30 CDEDLP C[C@H](C[NH2+]C[C@@H](C)CCC#N)C[NH+]1CCOCC1 ZINC000618888048 345419560 /nfs/dbraw/zinc/41/95/60/345419560.db2.gz MUARKTBVUABGPW-UONOGXRCSA-N 2 2 253.390 1.484 20 30 CDEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000344240739 356968185 /nfs/dbraw/zinc/96/81/85/356968185.db2.gz SEJUQXRAERBYOM-CYBMUJFWSA-N 2 2 293.436 1.802 20 30 CDEDLP N#CCC[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000027741953 357007896 /nfs/dbraw/zinc/00/78/96/357007896.db2.gz ZOCSYKRYXLBVNC-UHFFFAOYSA-N 2 2 272.396 1.702 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000337188314 360031475 /nfs/dbraw/zinc/03/14/75/360031475.db2.gz QGVJHXLYTABSLY-KBPBESRZSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000337188314 360031482 /nfs/dbraw/zinc/03/14/82/360031482.db2.gz QGVJHXLYTABSLY-KBPBESRZSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000337188314 360031487 /nfs/dbraw/zinc/03/14/87/360031487.db2.gz QGVJHXLYTABSLY-KBPBESRZSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000337188314 360031495 /nfs/dbraw/zinc/03/14/95/360031495.db2.gz QGVJHXLYTABSLY-KBPBESRZSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000569030721 371235029 /nfs/dbraw/zinc/23/50/29/371235029.db2.gz SYOFPAKNNQRWAJ-UHFFFAOYSA-N 2 2 296.378 1.341 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000342740705 374427996 /nfs/dbraw/zinc/42/79/96/374427996.db2.gz WFGLUTHEQZUAEQ-ZDUSSCGKSA-N 2 2 253.390 1.047 20 30 CDEDLP C=CCC[N@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000342740705 374428001 /nfs/dbraw/zinc/42/80/01/374428001.db2.gz WFGLUTHEQZUAEQ-ZDUSSCGKSA-N 2 2 253.390 1.047 20 30 CDEDLP CC1=CC[N@H+](CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC000328874163 375996942 /nfs/dbraw/zinc/99/69/42/375996942.db2.gz ZBQWMCIZQBUPNR-UHFFFAOYSA-N 2 2 276.384 1.961 20 30 CDEDLP CC1=CC[N@@H+](CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC000328874163 375996949 /nfs/dbraw/zinc/99/69/49/375996949.db2.gz ZBQWMCIZQBUPNR-UHFFFAOYSA-N 2 2 276.384 1.961 20 30 CDEDLP C#CC[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284037510 378132739 /nfs/dbraw/zinc/13/27/39/378132739.db2.gz ISUCZHFQIGIIRX-KRWDZBQOSA-N 2 2 272.392 1.843 20 30 CDEDLP C#CC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284037510 378132745 /nfs/dbraw/zinc/13/27/45/378132745.db2.gz ISUCZHFQIGIIRX-KRWDZBQOSA-N 2 2 272.392 1.843 20 30 CDEDLP C#CC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284037510 378132752 /nfs/dbraw/zinc/13/27/52/378132752.db2.gz ISUCZHFQIGIIRX-KRWDZBQOSA-N 2 2 272.392 1.843 20 30 CDEDLP C#CC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284037510 378132756 /nfs/dbraw/zinc/13/27/56/378132756.db2.gz ISUCZHFQIGIIRX-KRWDZBQOSA-N 2 2 272.392 1.843 20 30 CDEDLP COCC[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174307563 379449983 /nfs/dbraw/zinc/44/99/83/379449983.db2.gz DDFVODVPQGASBK-UHFFFAOYSA-N 2 2 263.341 1.352 20 30 CDEDLP CCc1ccc([C@H](CNC(=[NH2+])NCCOC)[NH+](C)C)cc1 ZINC000072280327 390256597 /nfs/dbraw/zinc/25/65/97/390256597.db2.gz QPCONMBQZSWPQY-HNNXBMFYSA-N 2 2 292.427 1.402 20 30 CDEDLP C[C@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCc2sccc2C1 ZINC000261893534 391724392 /nfs/dbraw/zinc/72/43/92/391724392.db2.gz UIKUMLRCBXTPKS-SNVBAGLBSA-N 2 2 278.425 1.561 20 30 CDEDLP C[C@H](CNC(=[NH2+])NC1CC1)[N@H+]1CCc2sccc2C1 ZINC000261893534 391724396 /nfs/dbraw/zinc/72/43/96/391724396.db2.gz UIKUMLRCBXTPKS-SNVBAGLBSA-N 2 2 278.425 1.561 20 30 CDEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC(=O)NC1CC1 ZINC000329755027 391772095 /nfs/dbraw/zinc/77/20/95/391772095.db2.gz LFUKNWACJOVPOJ-UHFFFAOYSA-N 2 2 291.355 1.622 20 30 CDEDLP CC(C)[NH+]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000329803331 391781646 /nfs/dbraw/zinc/78/16/46/391781646.db2.gz ZOTXNUKUOZUIOW-UHFFFAOYSA-N 2 2 287.367 1.906 20 30 CDEDLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH+]1CCC1)C2 ZINC000329453048 227523789 /nfs/dbraw/zinc/52/37/89/227523789.db2.gz DCGHVIIJJBZBLU-GFCCVEGCSA-N 2 2 262.357 1.416 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000104167926 260619747 /nfs/dbraw/zinc/61/97/47/260619747.db2.gz VHSRLSZCGIVZLX-FZMZJTMJSA-N 2 2 296.390 1.368 20 30 CDEDLP CCC#C[C@H](C)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653689940 424431769 /nfs/dbraw/zinc/43/17/69/424431769.db2.gz YZHPRWBAFVANNK-LSDHHAIUSA-N 2 2 264.413 1.973 20 30 CDEDLP CCC#C[C@H](C)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653689940 424431777 /nfs/dbraw/zinc/43/17/77/424431777.db2.gz YZHPRWBAFVANNK-LSDHHAIUSA-N 2 2 264.413 1.973 20 30 CDEDLP COc1ccccc1CNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000170905033 327749186 /nfs/dbraw/zinc/74/91/86/327749186.db2.gz JSMHJFUPELOMID-UHFFFAOYSA-N 2 2 287.367 1.386 20 30 CDEDLP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262330809 328149055 /nfs/dbraw/zinc/14/90/55/328149055.db2.gz YBZRMZPBHIEXGR-JTQLQIEISA-N 2 2 284.310 1.022 20 30 CDEDLP C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262330809 328149056 /nfs/dbraw/zinc/14/90/56/328149056.db2.gz YBZRMZPBHIEXGR-JTQLQIEISA-N 2 2 284.310 1.022 20 30 CDEDLP N#CCC[C@@H](C#N)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000582900013 329283186 /nfs/dbraw/zinc/28/31/86/329283186.db2.gz YENXKFNZLLEORC-ZDUSSCGKSA-N 2 2 267.336 1.910 20 30 CDEDLP CC(C)(C)NC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000104154405 329534972 /nfs/dbraw/zinc/53/49/72/329534972.db2.gz FIIDDWJBIKNOFK-UHFFFAOYSA-N 2 2 296.459 1.724 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000424186396 330320991 /nfs/dbraw/zinc/32/09/91/330320991.db2.gz GWRAQBIOENCDND-AWEZNQCLSA-N 2 2 297.362 1.510 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492815748 332414686 /nfs/dbraw/zinc/41/46/86/332414686.db2.gz XVPDRTLARKVVAW-ONEGZZNKSA-N 2 2 260.341 1.190 20 30 CDEDLP C=CC[C@H](CC)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576220826 335172300 /nfs/dbraw/zinc/17/23/00/335172300.db2.gz AGSTZMPUHVCUCV-XGUBFFRZSA-N 2 2 270.417 1.401 20 30 CDEDLP C=CC[C@H](CC)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576220826 335172302 /nfs/dbraw/zinc/17/23/02/335172302.db2.gz AGSTZMPUHVCUCV-XGUBFFRZSA-N 2 2 270.417 1.401 20 30 CDEDLP 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30 CDEDLP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968553 929985108 /nfs/dbraw/zinc/98/51/08/929985108.db2.gz CSTAYVROVDTKAO-STQMWFEESA-N 2 2 284.363 1.454 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135773815 930406078 /nfs/dbraw/zinc/40/60/78/930406078.db2.gz BHXVAMIEFDHMPI-MNOVXSKESA-N 2 2 250.346 1.011 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(C)[nH+]c(CC)n2)C1 ZINC000884611530 930606026 /nfs/dbraw/zinc/60/60/26/930606026.db2.gz OFPHMTNSMYBNJW-ZDUSSCGKSA-N 2 2 258.369 1.857 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(C)[nH+]c(CC)n2)C1 ZINC000884611530 930606038 /nfs/dbraw/zinc/60/60/38/930606038.db2.gz OFPHMTNSMYBNJW-ZDUSSCGKSA-N 2 2 258.369 1.857 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001493222244 936028916 /nfs/dbraw/zinc/02/89/16/936028916.db2.gz GAVAUNLPTUNSED-CYBMUJFWSA-N 2 2 296.802 1.464 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001493222244 936028918 /nfs/dbraw/zinc/02/89/18/936028918.db2.gz GAVAUNLPTUNSED-CYBMUJFWSA-N 2 2 296.802 1.464 20 30 CDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096653497 936202118 /nfs/dbraw/zinc/20/21/18/936202118.db2.gz SVHJSODLMKAZJX-RDBSUJKOSA-N 2 2 274.368 1.181 20 30 CDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096653497 936202120 /nfs/dbraw/zinc/20/21/20/936202120.db2.gz SVHJSODLMKAZJX-RDBSUJKOSA-N 2 2 274.368 1.181 20 30 CDEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533617 938632853 /nfs/dbraw/zinc/63/28/53/938632853.db2.gz BFOVABWPMVGSPK-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533617 938632854 /nfs/dbraw/zinc/63/28/54/938632854.db2.gz BFOVABWPMVGSPK-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP Cc1[nH+]c2c(n1-c1cc(Cl)cc(C#N)n1)CC[NH2+]CC2 ZINC001165353941 939550510 /nfs/dbraw/zinc/55/05/10/939550510.db2.gz VESLDXASWKZQHN-UHFFFAOYSA-N 2 2 287.754 1.789 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919392 940112272 /nfs/dbraw/zinc/11/22/72/940112272.db2.gz RMOUSPILAZUSSD-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919392 940112276 /nfs/dbraw/zinc/11/22/76/940112276.db2.gz RMOUSPILAZUSSD-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C[NH3+])C1CC1 ZINC000402185834 940890602 /nfs/dbraw/zinc/89/06/02/940890602.db2.gz ZPGWBDOSFZCYDL-HUUCEWRRSA-N 2 2 259.353 1.261 20 30 CDEDLP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C[NH3+])C1CC1 ZINC000402185834 940890603 /nfs/dbraw/zinc/89/06/03/940890603.db2.gz ZPGWBDOSFZCYDL-HUUCEWRRSA-N 2 2 259.353 1.261 20 30 CDEDLP C=CC[C@@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccccc1 ZINC001221361200 941521793 /nfs/dbraw/zinc/52/17/93/941521793.db2.gz RWECQQQBFNOOKN-BFYDXBDKSA-N 2 2 285.391 1.372 20 30 CDEDLP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001266155523 944720034 /nfs/dbraw/zinc/72/00/34/944720034.db2.gz ORWWGGVGEQPZTR-QWHCGFSZSA-N 2 2 276.384 1.116 20 30 CDEDLP N#Cc1cc(-c2ccc[nH+]c2N)cc(C2C[NH2+]C2)c1 ZINC001240345346 945795092 /nfs/dbraw/zinc/79/50/92/945795092.db2.gz FTKATGURRUNTJI-UHFFFAOYSA-N 2 2 250.305 1.889 20 30 CDEDLP C=C[C@@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001253586732 951976777 /nfs/dbraw/zinc/97/67/77/951976777.db2.gz QWMAPQYGYDUXNM-OAHLLOKOSA-N 2 2 257.337 1.851 20 30 CDEDLP C=C[C@@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001253586732 951976782 /nfs/dbraw/zinc/97/67/82/951976782.db2.gz QWMAPQYGYDUXNM-OAHLLOKOSA-N 2 2 257.337 1.851 20 30 CDEDLP C=C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001253606712 951992775 /nfs/dbraw/zinc/99/27/75/951992775.db2.gz NHLCQRGZWXWRNR-OAHLLOKOSA-N 2 2 276.380 1.493 20 30 CDEDLP Cc1[nH+]c(C)n(C[C@H](O)C[N@H+](C)CCC#N)c1C ZINC001333233298 958175624 /nfs/dbraw/zinc/17/56/24/958175624.db2.gz NRGBGCWXSKCGPV-CYBMUJFWSA-N 2 2 250.346 1.015 20 30 CDEDLP Cc1[nH+]c(C)n(C[C@H](O)C[N@@H+](C)CCC#N)c1C ZINC001333233298 958175632 /nfs/dbraw/zinc/17/56/32/958175632.db2.gz NRGBGCWXSKCGPV-CYBMUJFWSA-N 2 2 250.346 1.015 20 30 CDEDLP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001434536967 961663587 /nfs/dbraw/zinc/66/35/87/961663587.db2.gz FEQPRJJSSPQQRD-UIDBIOKJSA-N 2 2 278.444 1.683 20 30 CDEDLP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001434536967 961663601 /nfs/dbraw/zinc/66/36/01/961663601.db2.gz FEQPRJJSSPQQRD-UIDBIOKJSA-N 2 2 278.444 1.683 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001439175009 963662801 /nfs/dbraw/zinc/66/28/01/963662801.db2.gz WTYRRJDLIPXETC-LLVKDONJSA-N 2 2 284.791 1.200 20 30 CDEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001353330050 967903123 /nfs/dbraw/zinc/90/31/23/967903123.db2.gz REZRTJFJRVFOMV-QWHCGFSZSA-N 2 2 267.417 1.750 20 30 CDEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001353330050 967903118 /nfs/dbraw/zinc/90/31/18/967903118.db2.gz REZRTJFJRVFOMV-QWHCGFSZSA-N 2 2 267.417 1.750 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001398452646 975991415 /nfs/dbraw/zinc/99/14/15/975991415.db2.gz WBNDJRHQOUNWNQ-NSHDSACASA-N 2 2 282.775 1.189 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001391631629 977005730 /nfs/dbraw/zinc/00/57/30/977005730.db2.gz NFPYOMNUBMEPQF-CYBMUJFWSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001391631629 977005737 /nfs/dbraw/zinc/00/57/37/977005737.db2.gz NFPYOMNUBMEPQF-CYBMUJFWSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001391631629 977005746 /nfs/dbraw/zinc/00/57/46/977005746.db2.gz NFPYOMNUBMEPQF-CYBMUJFWSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001391631629 977005752 /nfs/dbraw/zinc/00/57/52/977005752.db2.gz NFPYOMNUBMEPQF-CYBMUJFWSA-N 2 2 287.835 1.613 20 30 CDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cn3)CC[C@H]21 ZINC000565159308 365597983 /nfs/dbraw/zinc/59/79/83/365597983.db2.gz XQINBHYYUIZJHY-GDBMZVCRSA-N 2 2 270.380 1.869 20 30 CDEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cn3)CC[C@H]21 ZINC000565159308 365597989 /nfs/dbraw/zinc/59/79/89/365597989.db2.gz XQINBHYYUIZJHY-GDBMZVCRSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cn3)CC[C@H]21 ZINC000565159308 365597992 /nfs/dbraw/zinc/59/79/92/365597992.db2.gz XQINBHYYUIZJHY-GDBMZVCRSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cn3)CC[C@H]21 ZINC000565159308 365597999 /nfs/dbraw/zinc/59/79/99/365597999.db2.gz XQINBHYYUIZJHY-GDBMZVCRSA-N 2 2 270.380 1.869 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591735024 342644839 /nfs/dbraw/zinc/64/48/39/342644839.db2.gz SSGGXJQDYNNEKS-ZFWWWQNUSA-N 2 2 261.369 1.229 20 30 CDEDLP C[C@@H](C#N)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591735024 342644840 /nfs/dbraw/zinc/64/48/40/342644840.db2.gz SSGGXJQDYNNEKS-ZFWWWQNUSA-N 2 2 261.369 1.229 20 30 CDEDLP N#Cc1cccc(C[NH2+]CCC[NH+]2CCCCC2)n1 ZINC000602514283 342173992 /nfs/dbraw/zinc/17/39/92/342173992.db2.gz SHMYYMSJHYAFMT-UHFFFAOYSA-N 2 2 258.369 1.919 20 30 CDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCOCCC#N)CC1 ZINC000593988528 342860903 /nfs/dbraw/zinc/86/09/03/342860903.db2.gz OKMDQNKYIYRJQD-AWEZNQCLSA-N 2 2 281.400 1.102 20 30 CDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCOCCC#N)CC1 ZINC000593988528 342860904 /nfs/dbraw/zinc/86/09/04/342860904.db2.gz OKMDQNKYIYRJQD-AWEZNQCLSA-N 2 2 281.400 1.102 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000593956580 342857318 /nfs/dbraw/zinc/85/73/18/342857318.db2.gz CDUMNEZXSQROGD-OAHLLOKOSA-N 2 2 267.336 1.987 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000593956580 342857319 /nfs/dbraw/zinc/85/73/19/342857319.db2.gz CDUMNEZXSQROGD-OAHLLOKOSA-N 2 2 267.336 1.987 20 30 CDEDLP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1C[C@H]1C ZINC000083899939 342377899 /nfs/dbraw/zinc/37/78/99/342377899.db2.gz MOANXNLCGZTJDT-TZMCWYRMSA-N 2 2 285.395 1.840 20 30 CDEDLP C#CCC[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000091480472 342404398 /nfs/dbraw/zinc/40/43/98/342404398.db2.gz DZOACORAVMJACX-UHFFFAOYSA-N 2 2 254.337 1.708 20 30 CDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(C#N)n3)CC2)C1 ZINC000602471525 350113372 /nfs/dbraw/zinc/11/33/72/350113372.db2.gz AUPIWSQFUJTTEW-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(C#N)n3)CC2)C1 ZINC000602471525 350113378 /nfs/dbraw/zinc/11/33/78/350113378.db2.gz AUPIWSQFUJTTEW-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000602458851 350111746 /nfs/dbraw/zinc/11/17/46/350111746.db2.gz QLALPQDZSRSMGC-HNNXBMFYSA-N 2 2 267.336 1.987 20 30 CDEDLP N#Cc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000602458851 350111747 /nfs/dbraw/zinc/11/17/47/350111747.db2.gz QLALPQDZSRSMGC-HNNXBMFYSA-N 2 2 267.336 1.987 20 30 CDEDLP Cc1ccc([C@H](CNC(=[NH2+])NC2CC2)[NH+](C)C)cc1 ZINC000264103554 362968512 /nfs/dbraw/zinc/96/85/12/362968512.db2.gz OVIGXLWRBMRULM-AWEZNQCLSA-N 2 2 260.385 1.664 20 30 CDEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000581127343 357565013 /nfs/dbraw/zinc/56/50/13/357565013.db2.gz OTPUJLXEMHAWKZ-CQSZACIVSA-N 2 2 292.427 1.909 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341098261 366478088 /nfs/dbraw/zinc/47/80/88/366478088.db2.gz BUPDJPVIGXNUAX-HNNXBMFYSA-N 2 2 297.362 1.303 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341098261 366478097 /nfs/dbraw/zinc/47/80/97/366478097.db2.gz BUPDJPVIGXNUAX-HNNXBMFYSA-N 2 2 297.362 1.303 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000337198517 360021067 /nfs/dbraw/zinc/02/10/67/360021067.db2.gz YDGFSGIGYDCLQX-HOTGVXAUSA-N 2 2 291.439 1.581 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000337198517 360021072 /nfs/dbraw/zinc/02/10/72/360021072.db2.gz YDGFSGIGYDCLQX-HOTGVXAUSA-N 2 2 291.439 1.581 20 30 CDEDLP C=C(CC)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337419130 360116735 /nfs/dbraw/zinc/11/67/35/360116735.db2.gz SZWCBLKOHSSBLS-HNNXBMFYSA-N 2 2 252.402 1.997 20 30 CDEDLP C=C(CC)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337419130 360116736 /nfs/dbraw/zinc/11/67/36/360116736.db2.gz SZWCBLKOHSSBLS-HNNXBMFYSA-N 2 2 252.402 1.997 20 30 CDEDLP C=CC[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)CC ZINC000516532360 360609374 /nfs/dbraw/zinc/60/93/74/360609374.db2.gz RNLRLFWSHZGPDL-MRXNPFEDSA-N 2 2 262.397 1.987 20 30 CDEDLP C=CC[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)CC ZINC000516532360 360609376 /nfs/dbraw/zinc/60/93/76/360609376.db2.gz RNLRLFWSHZGPDL-MRXNPFEDSA-N 2 2 262.397 1.987 20 30 CDEDLP C=CC[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)CC ZINC000516532360 360609378 /nfs/dbraw/zinc/60/93/78/360609378.db2.gz RNLRLFWSHZGPDL-MRXNPFEDSA-N 2 2 262.397 1.987 20 30 CDEDLP C=CC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)CC ZINC000516532360 360609379 /nfs/dbraw/zinc/60/93/79/360609379.db2.gz RNLRLFWSHZGPDL-MRXNPFEDSA-N 2 2 262.397 1.987 20 30 CDEDLP C[N@H+](CCC#N)C[C@H](O)CNCC(C)(C)[NH+]1CCCCC1 ZINC000567680264 371097172 /nfs/dbraw/zinc/09/71/72/371097172.db2.gz UYPMADZTLPPREE-OAHLLOKOSA-N 2 2 296.459 1.047 20 30 CDEDLP C[N@@H+](CCC#N)C[C@H](O)CNCC(C)(C)[NH+]1CCCCC1 ZINC000567680264 371097177 /nfs/dbraw/zinc/09/71/77/371097177.db2.gz UYPMADZTLPPREE-OAHLLOKOSA-N 2 2 296.459 1.047 20 30 CDEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431941 284354267 /nfs/dbraw/zinc/35/42/67/284354267.db2.gz JKLWZYHQCRFGHZ-ZIAGYGMSSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431941 284354268 /nfs/dbraw/zinc/35/42/68/284354268.db2.gz JKLWZYHQCRFGHZ-ZIAGYGMSSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431941 284354270 /nfs/dbraw/zinc/35/42/70/284354270.db2.gz JKLWZYHQCRFGHZ-ZIAGYGMSSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346431941 284354271 /nfs/dbraw/zinc/35/42/71/284354271.db2.gz JKLWZYHQCRFGHZ-ZIAGYGMSSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(C#N)c(F)c1 ZINC000423502658 374385170 /nfs/dbraw/zinc/38/51/70/374385170.db2.gz FEYAUNVSQSZUOB-RISCZKNCSA-N 2 2 276.359 1.252 20 30 CDEDLP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328911659 376023359 /nfs/dbraw/zinc/02/33/59/376023359.db2.gz GOXLIFLCHBQVTB-OLZOCXBDSA-N 2 2 276.384 1.886 20 30 CDEDLP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328911660 376023390 /nfs/dbraw/zinc/02/33/90/376023390.db2.gz GOXLIFLCHBQVTB-STQMWFEESA-N 2 2 276.384 1.886 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(N)=O)cs2)CC1 ZINC000132322394 377725567 /nfs/dbraw/zinc/72/55/67/377725567.db2.gz MZHZKGZNZXYJBP-UHFFFAOYSA-N 2 2 293.436 1.977 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283638292 378101630 /nfs/dbraw/zinc/10/16/30/378101630.db2.gz CAUAGQVMMBMGEM-ONEGZZNKSA-N 2 2 274.368 1.580 20 30 CDEDLP CC#CC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000293307779 378556275 /nfs/dbraw/zinc/55/62/75/378556275.db2.gz WXQSSIUMYYMMHR-INIZCTEOSA-N 2 2 287.407 1.361 20 30 CDEDLP CC#CC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000293307779 378556280 /nfs/dbraw/zinc/55/62/80/378556280.db2.gz WXQSSIUMYYMMHR-INIZCTEOSA-N 2 2 287.407 1.361 20 30 CDEDLP C[C@H](C#N)C[NH+](C)CCOCC[N@@H+](C)C[C@H](C)C#N ZINC000343417860 378865527 /nfs/dbraw/zinc/86/55/27/378865527.db2.gz FMHOHDWHBULSSG-ZIAGYGMSSA-N 2 2 266.389 1.186 20 30 CDEDLP C[C@H](C#N)C[NH+](C)CCOCC[N@H+](C)C[C@H](C)C#N ZINC000343417860 378865531 /nfs/dbraw/zinc/86/55/31/378865531.db2.gz FMHOHDWHBULSSG-ZIAGYGMSSA-N 2 2 266.389 1.186 20 30 CDEDLP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000447528882 250381238 /nfs/dbraw/zinc/38/12/38/250381238.db2.gz JRFVMUFYKCJVLY-LSDHHAIUSA-N 2 2 261.369 1.521 20 30 CDEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000346924885 391380084 /nfs/dbraw/zinc/38/00/84/391380084.db2.gz RSLICEXGFAUWJM-UHFFFAOYSA-N 2 2 292.427 1.353 20 30 CDEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000346924885 391380087 /nfs/dbraw/zinc/38/00/87/391380087.db2.gz RSLICEXGFAUWJM-UHFFFAOYSA-N 2 2 292.427 1.353 20 30 CDEDLP C[N@H+](CCCC(C)(C)C#N)C1CC[NH+](CCO)CC1 ZINC000350081856 391595252 /nfs/dbraw/zinc/59/52/52/391595252.db2.gz QINAYRQMMPSUER-UHFFFAOYSA-N 2 2 267.417 1.705 20 30 CDEDLP C[N@@H+](CCCC(C)(C)C#N)C1CC[NH+](CCO)CC1 ZINC000350081856 391595253 /nfs/dbraw/zinc/59/52/53/391595253.db2.gz QINAYRQMMPSUER-UHFFFAOYSA-N 2 2 267.417 1.705 20 30 CDEDLP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000261986336 391748703 /nfs/dbraw/zinc/74/87/03/391748703.db2.gz KCNDVBAQAGRSGE-HNNXBMFYSA-N 2 2 288.395 1.233 20 30 CDEDLP C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000261986336 391748707 /nfs/dbraw/zinc/74/87/07/391748707.db2.gz KCNDVBAQAGRSGE-HNNXBMFYSA-N 2 2 288.395 1.233 20 30 CDEDLP C[C@H]1C[NH+]=C(NCc2ccccc2Cn2cc[nH+]c2)N1 ZINC000262654346 391807346 /nfs/dbraw/zinc/80/73/46/391807346.db2.gz LFVFZCWMMORTLE-LBPRGKRZSA-N 2 2 269.352 1.369 20 30 CDEDLP Cc1cc(N2CC[C@@H](OCC[NH+](C)C)C2)c(C#N)c[nH+]1 ZINC000425246995 393003678 /nfs/dbraw/zinc/00/36/78/393003678.db2.gz YXTCSRHKBCJTEA-CQSZACIVSA-N 2 2 274.368 1.419 20 30 CDEDLP C=CCCn1cc(C[NH2+]CCc2cc[nH+]cc2C)nn1 ZINC000657417832 414303273 /nfs/dbraw/zinc/30/32/73/414303273.db2.gz ZOUUDJDJNZCFID-UHFFFAOYSA-N 2 2 271.368 1.890 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599733 174350199 /nfs/dbraw/zinc/35/01/99/174350199.db2.gz CHWXJFAOBRFWMK-CQSZACIVSA-N 2 2 265.401 1.118 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599733 174350200 /nfs/dbraw/zinc/35/02/00/174350200.db2.gz CHWXJFAOBRFWMK-CQSZACIVSA-N 2 2 265.401 1.118 20 30 CDEDLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000330937853 264082173 /nfs/dbraw/zinc/08/21/73/264082173.db2.gz UVTHKVYTSPHNCZ-ZDUSSCGKSA-N 2 2 293.415 1.498 20 30 CDEDLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000330937853 264082175 /nfs/dbraw/zinc/08/21/75/264082175.db2.gz UVTHKVYTSPHNCZ-ZDUSSCGKSA-N 2 2 293.415 1.498 20 30 CDEDLP C=CCCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nn1 ZINC000653570221 424296352 /nfs/dbraw/zinc/29/63/52/424296352.db2.gz GGVGQQPZQDZGOH-GOEBONIOSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nn1 ZINC000653570221 424296358 /nfs/dbraw/zinc/29/63/58/424296358.db2.gz GGVGQQPZQDZGOH-GOEBONIOSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nn1 ZINC000653570221 424296365 /nfs/dbraw/zinc/29/63/65/424296365.db2.gz GGVGQQPZQDZGOH-GOEBONIOSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nn1 ZINC000653570221 424296375 /nfs/dbraw/zinc/29/63/75/424296375.db2.gz GGVGQQPZQDZGOH-GOEBONIOSA-N 2 2 289.427 1.770 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)nc1 ZINC000562372013 293145763 /nfs/dbraw/zinc/14/57/63/293145763.db2.gz WECSHMCQZPVZQX-HNNXBMFYSA-N 2 2 270.380 1.871 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)nc1 ZINC000562372013 293145766 /nfs/dbraw/zinc/14/57/66/293145766.db2.gz WECSHMCQZPVZQX-HNNXBMFYSA-N 2 2 270.380 1.871 20 30 CDEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCC#N)cc2)CC1 ZINC000563457186 328067847 /nfs/dbraw/zinc/06/78/47/328067847.db2.gz OQUVBAQLUAFUOY-UHFFFAOYSA-N 2 2 286.379 1.077 20 30 CDEDLP N#CCC[C@H](C#N)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000582900012 329283172 /nfs/dbraw/zinc/28/31/72/329283172.db2.gz YENXKFNZLLEORC-CYBMUJFWSA-N 2 2 267.336 1.910 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000491040506 332141874 /nfs/dbraw/zinc/14/18/74/332141874.db2.gz UJEWTEJESSSWBX-ARFHVFGLSA-N 2 2 291.439 1.178 20 30 CDEDLP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001753728120 1159895476 /nfs/dbraw/zinc/89/54/76/1159895476.db2.gz PQWIQEHTWBARPT-KBPBESRZSA-N 2 2 278.400 1.674 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001755716051 1160488801 /nfs/dbraw/zinc/48/88/01/1160488801.db2.gz INNFTENYAGQFIK-KBPBESRZSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001755716051 1160488804 /nfs/dbraw/zinc/48/88/04/1160488804.db2.gz INNFTENYAGQFIK-KBPBESRZSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCCn1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)nn1 ZINC000668172799 483105604 /nfs/dbraw/zinc/10/56/04/483105604.db2.gz UKMAHQDULNARTP-HOCLYGCPSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)nn1 ZINC000668172799 483105608 /nfs/dbraw/zinc/10/56/08/483105608.db2.gz UKMAHQDULNARTP-HOCLYGCPSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)nn1 ZINC000668172799 483105613 /nfs/dbraw/zinc/10/56/13/483105613.db2.gz UKMAHQDULNARTP-HOCLYGCPSA-N 2 2 289.427 1.770 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)nn1 ZINC000668172799 483105617 /nfs/dbraw/zinc/10/56/17/483105617.db2.gz UKMAHQDULNARTP-HOCLYGCPSA-N 2 2 289.427 1.770 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782370 1161567753 /nfs/dbraw/zinc/56/77/53/1161567753.db2.gz IEHGBXRBUDVEMS-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782370 1161567758 /nfs/dbraw/zinc/56/77/58/1161567758.db2.gz IEHGBXRBUDVEMS-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP CC[N@@H+]1CCC[C@@H]1CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330279693 529058461 /nfs/dbraw/zinc/05/84/61/529058461.db2.gz RLCIPNFQVWZGPE-CHWSQXEVSA-N 2 2 291.399 1.186 20 30 CDEDLP CC[N@H+]1CCC[C@@H]1CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330279693 529058473 /nfs/dbraw/zinc/05/84/73/529058473.db2.gz RLCIPNFQVWZGPE-CHWSQXEVSA-N 2 2 291.399 1.186 20 30 CDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330279693 529058479 /nfs/dbraw/zinc/05/84/79/529058479.db2.gz RLCIPNFQVWZGPE-CHWSQXEVSA-N 2 2 291.399 1.186 20 30 CDEDLP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330279693 529058485 /nfs/dbraw/zinc/05/84/85/529058485.db2.gz RLCIPNFQVWZGPE-CHWSQXEVSA-N 2 2 291.399 1.186 20 30 CDEDLP CC[N@@H+]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@H](C)C1 ZINC000761859943 576598467 /nfs/dbraw/zinc/59/84/67/576598467.db2.gz DLBKDWGEKJMGEZ-GFCCVEGCSA-N 2 2 299.382 1.792 20 30 CDEDLP CC[N@H+]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@H](C)C1 ZINC000761859943 576598469 /nfs/dbraw/zinc/59/84/69/576598469.db2.gz DLBKDWGEKJMGEZ-GFCCVEGCSA-N 2 2 299.382 1.792 20 30 CDEDLP CCC(CC)N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755731564 576957848 /nfs/dbraw/zinc/95/78/48/576957848.db2.gz VEVNFBHORZQISY-UHFFFAOYSA-N 2 2 290.415 1.341 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000949023275 613010735 /nfs/dbraw/zinc/01/07/35/613010735.db2.gz XFRDZMVRKULTQJ-UHFFFAOYSA-N 2 2 296.374 1.424 20 30 CDEDLP 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/nfs/dbraw/zinc/49/36/66/613493666.db2.gz BFCNRIAAAOACPU-AWEZNQCLSA-N 2 2 290.411 1.699 20 30 CDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000982142389 613493667 /nfs/dbraw/zinc/49/36/67/613493667.db2.gz BFCNRIAAAOACPU-AWEZNQCLSA-N 2 2 290.411 1.699 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886402 613499536 /nfs/dbraw/zinc/49/95/36/613499536.db2.gz NIJLSJSINBIYOL-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886402 613499539 /nfs/dbraw/zinc/49/95/39/613499539.db2.gz NIJLSJSINBIYOL-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945807448 613521605 /nfs/dbraw/zinc/52/16/05/613521605.db2.gz JQCWFZSADLEFND-UONOGXRCSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945807448 613521608 /nfs/dbraw/zinc/52/16/08/613521608.db2.gz JQCWFZSADLEFND-UONOGXRCSA-N 2 2 276.384 1.286 20 30 CDEDLP 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30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000883131219 732904727 /nfs/dbraw/zinc/90/47/27/732904727.db2.gz PFZUQJACXHBNEI-UHFFFAOYSA-N 2 2 273.380 1.690 20 30 CDEDLP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001042910831 733012415 /nfs/dbraw/zinc/01/24/15/733012415.db2.gz HTEYNVYMYKTFRM-CQSZACIVSA-N 2 2 288.395 1.479 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028642471 733142005 /nfs/dbraw/zinc/14/20/05/733142005.db2.gz WDSDYASFZSWJPP-ZIAGYGMSSA-N 2 2 288.395 1.070 20 30 CDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028642471 733142013 /nfs/dbraw/zinc/14/20/13/733142013.db2.gz WDSDYASFZSWJPP-ZIAGYGMSSA-N 2 2 288.395 1.070 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089005603 912465793 /nfs/dbraw/zinc/46/57/93/912465793.db2.gz PNYKTCGBCZMCCP-NEPJUHHUSA-N 2 2 262.357 1.026 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089005603 912465801 /nfs/dbraw/zinc/46/58/01/912465801.db2.gz PNYKTCGBCZMCCP-NEPJUHHUSA-N 2 2 262.357 1.026 20 30 CDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167901266 901866426 /nfs/dbraw/zinc/86/64/26/901866426.db2.gz RUSHRSKAJBYLQB-UHFFFAOYSA-N 2 2 290.411 1.713 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000987606407 907752563 /nfs/dbraw/zinc/75/25/63/907752563.db2.gz WKCONMYKMNJODT-CHWSQXEVSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001092820378 909521176 /nfs/dbraw/zinc/52/11/76/909521176.db2.gz FLXKJUJOFSCHBR-ZIAGYGMSSA-N 2 2 298.390 1.818 20 30 CDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001092820378 909521189 /nfs/dbraw/zinc/52/11/89/909521189.db2.gz FLXKJUJOFSCHBR-ZIAGYGMSSA-N 2 2 298.390 1.818 20 30 CDEDLP C[C@H](CCCC#N)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001172493574 911729106 /nfs/dbraw/zinc/72/91/06/911729106.db2.gz VEEVADWJJCKWHB-AGIUHOORSA-N 2 2 296.415 1.605 20 30 CDEDLP C=CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180469663 916399866 /nfs/dbraw/zinc/39/98/66/916399866.db2.gz BZUMWDGONMKOQA-UHFFFAOYSA-N 2 2 264.373 1.335 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183403847 918475024 /nfs/dbraw/zinc/47/50/24/918475024.db2.gz ZEIPEFGUDTYMDR-JHJVBQTASA-N 2 2 274.368 1.280 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001183403847 918475039 /nfs/dbraw/zinc/47/50/39/918475039.db2.gz ZEIPEFGUDTYMDR-JHJVBQTASA-N 2 2 274.368 1.280 20 30 CDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001072029306 936696935 /nfs/dbraw/zinc/69/69/35/936696935.db2.gz HLYUCQFHSGHKEC-TZMCWYRMSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001072029306 936696939 /nfs/dbraw/zinc/69/69/39/936696939.db2.gz HLYUCQFHSGHKEC-TZMCWYRMSA-N 2 2 290.411 1.806 20 30 CDEDLP Cc1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)c1C#N ZINC001168737377 921896530 /nfs/dbraw/zinc/89/65/30/921896530.db2.gz SUYZZHBTWAKZPB-UHFFFAOYSA-N 2 2 257.341 1.461 20 30 CDEDLP COc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(C#N)c1 ZINC001205671945 924297849 /nfs/dbraw/zinc/29/78/49/924297849.db2.gz FUPJDIXGPLJVRP-MRXNPFEDSA-N 2 2 289.379 1.243 20 30 CDEDLP COc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(C#N)c1 ZINC001205671945 924297858 /nfs/dbraw/zinc/29/78/58/924297858.db2.gz FUPJDIXGPLJVRP-MRXNPFEDSA-N 2 2 289.379 1.243 20 30 CDEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001205842413 925439056 /nfs/dbraw/zinc/43/90/56/925439056.db2.gz NJOBBGFCIHKRMB-RISCZKNCSA-N 2 2 259.353 1.823 20 30 CDEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001205842413 925439058 /nfs/dbraw/zinc/43/90/58/925439058.db2.gz NJOBBGFCIHKRMB-RISCZKNCSA-N 2 2 259.353 1.823 20 30 CDEDLP C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2C1CC[NH+](C)CC1 ZINC001273828102 926051949 /nfs/dbraw/zinc/05/19/49/926051949.db2.gz YMOOLMJCQLNJHL-QGZVFWFLSA-N 2 2 291.439 1.724 20 30 CDEDLP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C1CC[NH+](C)CC1 ZINC001273828102 926051959 /nfs/dbraw/zinc/05/19/59/926051959.db2.gz YMOOLMJCQLNJHL-QGZVFWFLSA-N 2 2 291.439 1.724 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001170060793 929255958 /nfs/dbraw/zinc/25/59/58/929255958.db2.gz RTXNGSANOUSYPQ-UHFFFAOYSA-N 2 2 299.378 1.553 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544744 929781190 /nfs/dbraw/zinc/78/11/90/929781190.db2.gz IGKKYXKEFZIGJZ-RYUDHWBXSA-N 2 2 264.373 1.401 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544744 929781202 /nfs/dbraw/zinc/78/12/02/929781202.db2.gz IGKKYXKEFZIGJZ-RYUDHWBXSA-N 2 2 264.373 1.401 20 30 CDEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134731957 929884420 /nfs/dbraw/zinc/88/44/20/929884420.db2.gz ARWXOCMZZMPPGS-NWDGAFQWSA-N 2 2 284.363 1.683 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001253188261 929902390 /nfs/dbraw/zinc/90/23/90/929902390.db2.gz UDQDQVZSQMCFRN-KGLIPLIRSA-N 2 2 253.390 1.315 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001253188261 929902397 /nfs/dbraw/zinc/90/23/97/929902397.db2.gz UDQDQVZSQMCFRN-KGLIPLIRSA-N 2 2 253.390 1.315 20 30 CDEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135056086 930020167 /nfs/dbraw/zinc/02/01/67/930020167.db2.gz KEPWRLUWVMFAIL-ZIAGYGMSSA-N 2 2 292.427 1.802 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)nc1 ZINC000883131266 930148111 /nfs/dbraw/zinc/14/81/11/930148111.db2.gz SMYNZVPLTITQSC-UHFFFAOYSA-N 2 2 251.761 1.780 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)nc1 ZINC000883131266 930148114 /nfs/dbraw/zinc/14/81/14/930148114.db2.gz SMYNZVPLTITQSC-UHFFFAOYSA-N 2 2 251.761 1.780 20 30 CDEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552161 930259357 /nfs/dbraw/zinc/25/93/57/930259357.db2.gz BJLVVTDXEIHPNX-QWHCGFSZSA-N 2 2 294.399 1.028 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(CCC)c1C ZINC000820846875 930975435 /nfs/dbraw/zinc/97/54/35/930975435.db2.gz MVKWUKGBVVNVPH-UHFFFAOYSA-N 2 2 276.428 1.955 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(CCC)c1C ZINC000820846875 930975444 /nfs/dbraw/zinc/97/54/44/930975444.db2.gz MVKWUKGBVVNVPH-UHFFFAOYSA-N 2 2 276.428 1.955 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760560 937466569 /nfs/dbraw/zinc/46/65/69/937466569.db2.gz PEPSRQLWULITCS-CYBMUJFWSA-N 2 2 278.400 1.745 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760560 937466571 /nfs/dbraw/zinc/46/65/71/937466571.db2.gz PEPSRQLWULITCS-CYBMUJFWSA-N 2 2 278.400 1.745 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760560 937466573 /nfs/dbraw/zinc/46/65/73/937466573.db2.gz PEPSRQLWULITCS-CYBMUJFWSA-N 2 2 278.400 1.745 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760560 937466574 /nfs/dbraw/zinc/46/65/74/937466574.db2.gz PEPSRQLWULITCS-CYBMUJFWSA-N 2 2 278.400 1.745 20 30 CDEDLP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])N2CCCCC2)C[C@H](C)O1 ZINC000104159012 931321455 /nfs/dbraw/zinc/32/14/55/931321455.db2.gz ALWPKSXPOGRAOC-KBPBESRZSA-N 2 2 296.459 1.675 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156612888 938394311 /nfs/dbraw/zinc/39/43/11/938394311.db2.gz PRVZELBRZNWHAK-LLVKDONJSA-N 2 2 264.373 1.273 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156612888 938394312 /nfs/dbraw/zinc/39/43/12/938394312.db2.gz PRVZELBRZNWHAK-LLVKDONJSA-N 2 2 264.373 1.273 20 30 CDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156618082 938394894 /nfs/dbraw/zinc/39/48/94/938394894.db2.gz XJFQVBQINXGVRT-GFCCVEGCSA-N 2 2 276.384 1.111 20 30 CDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156618082 938394897 /nfs/dbraw/zinc/39/48/97/938394897.db2.gz XJFQVBQINXGVRT-GFCCVEGCSA-N 2 2 276.384 1.111 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157255982 938470370 /nfs/dbraw/zinc/47/03/70/938470370.db2.gz GTTYEJAMUJTTIQ-UHFFFAOYSA-N 2 2 270.764 1.191 20 30 CDEDLP N#Cc1c(F)ccnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158261019 938601457 /nfs/dbraw/zinc/60/14/57/938601457.db2.gz JPHMRFCMNKSYDY-LLVKDONJSA-N 2 2 289.358 1.094 20 30 CDEDLP N#Cc1c(F)ccnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158261019 938601459 /nfs/dbraw/zinc/60/14/59/938601459.db2.gz JPHMRFCMNKSYDY-LLVKDONJSA-N 2 2 289.358 1.094 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537121 938738732 /nfs/dbraw/zinc/73/87/32/938738732.db2.gz LADVJWMBEPELIU-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537121 938738734 /nfs/dbraw/zinc/73/87/34/938738734.db2.gz LADVJWMBEPELIU-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP N#C[C@H]1CCCCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160636982 938805319 /nfs/dbraw/zinc/80/53/19/938805319.db2.gz MIVBONYEIBSBRA-ZIAGYGMSSA-N 2 2 272.352 1.163 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1F ZINC001206174562 939991097 /nfs/dbraw/zinc/99/10/97/939991097.db2.gz OFVYYYKIRWFYHJ-TZMCWYRMSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1F ZINC001206174562 939991098 /nfs/dbraw/zinc/99/10/98/939991098.db2.gz OFVYYYKIRWFYHJ-TZMCWYRMSA-N 2 2 265.307 1.959 20 30 CDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208550918 940339891 /nfs/dbraw/zinc/33/98/91/940339891.db2.gz FQVJUNDDRHTZKK-AWEZNQCLSA-N 2 2 296.374 1.552 20 30 CDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210667014 940704712 /nfs/dbraw/zinc/70/47/12/940704712.db2.gz CCVJLJMWJCHAFC-ZDUSSCGKSA-N 2 2 288.395 1.291 20 30 CDEDLP Cc1cc(C#N)c(F)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219112616 941309849 /nfs/dbraw/zinc/30/98/49/941309849.db2.gz OFVSUOSZWRRCPM-UHFFFAOYSA-N 2 2 276.315 1.025 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001227826148 942232978 /nfs/dbraw/zinc/23/29/78/942232978.db2.gz WUVHHLNBXIOUFV-UHFFFAOYSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001227826148 942232981 /nfs/dbraw/zinc/23/29/81/942232981.db2.gz WUVHHLNBXIOUFV-UHFFFAOYSA-N 2 2 299.846 1.804 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229327519 942453773 /nfs/dbraw/zinc/45/37/73/942453773.db2.gz RXDWTZHOWSFTPM-ZIAGYGMSSA-N 2 2 290.411 1.935 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642023 943924539 /nfs/dbraw/zinc/92/45/39/943924539.db2.gz GJWPHOKHVZJKJE-CABCVRRESA-N 2 2 297.418 1.222 20 30 CDEDLP N#CCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001277952155 944193435 /nfs/dbraw/zinc/19/34/35/944193435.db2.gz VEOKKQWPICEQNT-HOTGVXAUSA-N 2 2 287.411 1.726 20 30 CDEDLP N#CCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001277952155 944193445 /nfs/dbraw/zinc/19/34/45/944193445.db2.gz VEOKKQWPICEQNT-HOTGVXAUSA-N 2 2 287.411 1.726 20 30 CDEDLP C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001262608583 946764055 /nfs/dbraw/zinc/76/40/55/946764055.db2.gz MHRGBQKQPXJDHS-CQSZACIVSA-N 2 2 279.428 1.627 20 30 CDEDLP C=C(C)CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001262608583 946764062 /nfs/dbraw/zinc/76/40/62/946764062.db2.gz MHRGBQKQPXJDHS-CQSZACIVSA-N 2 2 279.428 1.627 20 30 CDEDLP C#CC[NH+]1CCN(C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256575502 948352485 /nfs/dbraw/zinc/35/24/85/948352485.db2.gz OUFYBFHYWLSUPT-UHFFFAOYSA-N 2 2 263.429 1.500 20 30 CDEDLP C[C@@H]1C[C@@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC[NH2+]1 ZINC001246831211 948463658 /nfs/dbraw/zinc/46/36/58/948463658.db2.gz CQPDYLPJFHGBDG-HIFRSBDPSA-N 2 2 285.395 1.216 20 30 CDEDLP C=CCOC[C@H](O)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001252471735 951319822 /nfs/dbraw/zinc/31/98/22/951319822.db2.gz HESQNSRJWMUXSU-QGZVFWFLSA-N 2 2 296.455 1.889 20 30 CDEDLP C=CCOC[C@H](O)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001252471735 951319835 /nfs/dbraw/zinc/31/98/35/951319835.db2.gz HESQNSRJWMUXSU-QGZVFWFLSA-N 2 2 296.455 1.889 20 30 CDEDLP C=C[C@](C)(O)C[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001252571291 951464614 /nfs/dbraw/zinc/46/46/14/951464614.db2.gz HIUZPVUANMIZPC-INIZCTEOSA-N 2 2 260.381 1.645 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001317461308 957492982 /nfs/dbraw/zinc/49/29/82/957492982.db2.gz LCUDZJYDPZJKJG-NSHDSACASA-N 2 2 261.797 1.127 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001317461308 957492980 /nfs/dbraw/zinc/49/29/80/957492980.db2.gz LCUDZJYDPZJKJG-NSHDSACASA-N 2 2 261.797 1.127 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001367844986 958424523 /nfs/dbraw/zinc/42/45/23/958424523.db2.gz HZZBQUVVPMHVDC-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001367844986 958424533 /nfs/dbraw/zinc/42/45/33/958424533.db2.gz HZZBQUVVPMHVDC-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CCC ZINC001367844986 958424540 /nfs/dbraw/zinc/42/45/40/958424540.db2.gz HZZBQUVVPMHVDC-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CCC ZINC001367844986 958424546 /nfs/dbraw/zinc/42/45/46/958424546.db2.gz HZZBQUVVPMHVDC-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC(C)(C)C#N)C2)CC1 ZINC001361818415 970564114 /nfs/dbraw/zinc/56/41/14/970564114.db2.gz IJIFVAYFVRAINA-CYBMUJFWSA-N 2 2 292.427 1.211 20 30 CDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC(C)(C)C#N)C2)CC1 ZINC001361818415 970564125 /nfs/dbraw/zinc/56/41/25/970564125.db2.gz IJIFVAYFVRAINA-CYBMUJFWSA-N 2 2 292.427 1.211 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001375833519 974489499 /nfs/dbraw/zinc/48/94/99/974489499.db2.gz BWJVZOGKACQSDH-AWEZNQCLSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001375833519 974489504 /nfs/dbraw/zinc/48/95/04/974489504.db2.gz BWJVZOGKACQSDH-AWEZNQCLSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001377224134 974934425 /nfs/dbraw/zinc/93/44/25/974934425.db2.gz RHWCMYCGVDWIGL-NSHDSACASA-N 2 2 273.808 1.129 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001377224134 974934427 /nfs/dbraw/zinc/93/44/27/974934427.db2.gz RHWCMYCGVDWIGL-NSHDSACASA-N 2 2 273.808 1.129 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001377224134 974934432 /nfs/dbraw/zinc/93/44/32/974934432.db2.gz RHWCMYCGVDWIGL-NSHDSACASA-N 2 2 273.808 1.129 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001377224134 974934436 /nfs/dbraw/zinc/93/44/36/974934436.db2.gz RHWCMYCGVDWIGL-NSHDSACASA-N 2 2 273.808 1.129 20 30 CDEDLP C#CCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221148 1163202946 /nfs/dbraw/zinc/20/29/46/1163202946.db2.gz CLBFSKPEDHWQFA-LSDHHAIUSA-N 2 2 288.395 1.266 20 30 CDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221148 1163202953 /nfs/dbraw/zinc/20/29/53/1163202953.db2.gz CLBFSKPEDHWQFA-LSDHHAIUSA-N 2 2 288.395 1.266 20 30 CDEDLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H](O)c1cccc(C#N)c1 ZINC001576487338 1171436071 /nfs/dbraw/zinc/43/60/71/1171436071.db2.gz KOMNNMWBCMETTG-ZIAGYGMSSA-N 2 2 259.353 1.322 20 30 CDEDLP N#CC1(CCC[N@@H+]2CCn3c[nH+]cc3C2)CCOCC1 ZINC000590599050 342579742 /nfs/dbraw/zinc/57/97/42/342579742.db2.gz FLKOLNMUMWYNJL-UHFFFAOYSA-N 2 2 274.368 1.799 20 30 CDEDLP N#CC1(CCC[N@H+]2CCn3c[nH+]cc3C2)CCOCC1 ZINC000590599050 342579743 /nfs/dbraw/zinc/57/97/43/342579743.db2.gz FLKOLNMUMWYNJL-UHFFFAOYSA-N 2 2 274.368 1.799 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000351618180 361807226 /nfs/dbraw/zinc/80/72/26/361807226.db2.gz HINSOGXZGPYSHU-UONOGXRCSA-N 2 2 265.401 1.864 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000351618180 361807229 /nfs/dbraw/zinc/80/72/29/361807229.db2.gz HINSOGXZGPYSHU-UONOGXRCSA-N 2 2 265.401 1.864 20 30 CDEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595472107 343072899 /nfs/dbraw/zinc/07/28/99/343072899.db2.gz HYMMLMGUVIEABY-LSDHHAIUSA-N 2 2 265.401 1.865 20 30 CDEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595472107 343072901 /nfs/dbraw/zinc/07/29/01/343072901.db2.gz HYMMLMGUVIEABY-LSDHHAIUSA-N 2 2 265.401 1.865 20 30 CDEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330236834 362186849 /nfs/dbraw/zinc/18/68/49/362186849.db2.gz UNYFPKISCIKGJQ-YPMHNXCESA-N 2 2 274.368 1.781 20 30 CDEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330236834 362186857 /nfs/dbraw/zinc/18/68/57/362186857.db2.gz UNYFPKISCIKGJQ-YPMHNXCESA-N 2 2 274.368 1.781 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[NH+]1CCC(O)CC1 ZINC000602680884 344528334 /nfs/dbraw/zinc/52/83/34/344528334.db2.gz MGODZCIDOQKIDT-CQSZACIVSA-N 2 2 295.427 1.132 20 30 CDEDLP C=CCNC(NCCn1c(C)[nH+]c2ccccc21)=[NH+]C ZINC000263266670 362411651 /nfs/dbraw/zinc/41/16/51/362411651.db2.gz VIWGUXSZSWCCRU-UHFFFAOYSA-N 2 2 271.368 1.696 20 30 CDEDLP N#Cc1ccc(-c2nnc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000610367965 346265061 /nfs/dbraw/zinc/26/50/61/346265061.db2.gz SCGVDXPAQJKQTG-ZIAGYGMSSA-N 2 2 295.346 1.259 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000264084332 362961820 /nfs/dbraw/zinc/96/18/20/362961820.db2.gz JEWHALYTLFLIEW-AWEZNQCLSA-N 2 2 276.384 1.388 20 30 CDEDLP C[NH+]=C(NC[C@@H](c1ccc(C)cc1)[NH+](C)C)NC1CC1 ZINC000264077014 362959251 /nfs/dbraw/zinc/95/92/51/362959251.db2.gz TWMYKVXLKRNKIQ-HNNXBMFYSA-N 2 2 274.412 1.925 20 30 CDEDLP CCCNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000264095892 362965863 /nfs/dbraw/zinc/96/58/63/362965863.db2.gz MNTLFQJNSLVKGM-AWEZNQCLSA-N 2 2 262.401 1.912 20 30 CDEDLP CC1CCN(C(=[NH2+])NCCc2cn3ccccc3[nH+]2)CC1 ZINC000264122924 362973142 /nfs/dbraw/zinc/97/31/42/362973142.db2.gz RIUTUTXBJYFRCE-UHFFFAOYSA-N 2 2 285.395 1.923 20 30 CDEDLP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1C#N ZINC000440805377 366223327 /nfs/dbraw/zinc/22/33/27/366223327.db2.gz XPULJMLAMCBATQ-UHFFFAOYSA-N 2 2 270.336 1.943 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000267175652 358993494 /nfs/dbraw/zinc/99/34/94/358993494.db2.gz JBWKZXCZSNHQDB-LLVKDONJSA-N 2 2 265.382 1.166 20 30 CDEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000338992320 361181483 /nfs/dbraw/zinc/18/14/83/361181483.db2.gz ICJQMVUTGCJHGZ-PMPSAXMXSA-N 2 2 277.412 1.723 20 30 CDEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000338992320 361181484 /nfs/dbraw/zinc/18/14/84/361181484.db2.gz ICJQMVUTGCJHGZ-PMPSAXMXSA-N 2 2 277.412 1.723 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000562300118 361236030 /nfs/dbraw/zinc/23/60/30/361236030.db2.gz FWXLBSNHJLUZQW-ZIAGYGMSSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000562300118 361236032 /nfs/dbraw/zinc/23/60/32/361236032.db2.gz FWXLBSNHJLUZQW-ZIAGYGMSSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000562300118 361236036 /nfs/dbraw/zinc/23/60/36/361236036.db2.gz FWXLBSNHJLUZQW-ZIAGYGMSSA-N 2 2 292.427 1.211 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000562300118 361236037 /nfs/dbraw/zinc/23/60/37/361236037.db2.gz FWXLBSNHJLUZQW-ZIAGYGMSSA-N 2 2 292.427 1.211 20 30 CDEDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C#N ZINC000174307064 364175947 /nfs/dbraw/zinc/17/59/47/364175947.db2.gz MAZNLLUYYWCTID-CQSZACIVSA-N 2 2 259.353 1.751 20 30 CDEDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1C#N ZINC000174307064 364175951 /nfs/dbraw/zinc/17/59/51/364175951.db2.gz MAZNLLUYYWCTID-CQSZACIVSA-N 2 2 259.353 1.751 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2c(Cl)cnn2C)CC1 ZINC000189168950 373269441 /nfs/dbraw/zinc/26/94/41/373269441.db2.gz MOZKWEOKTDKQRB-UHFFFAOYSA-N 2 2 268.792 1.814 20 30 CDEDLP C=CC[C@@H](CO)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000341297935 373487915 /nfs/dbraw/zinc/48/79/15/373487915.db2.gz KITITRTZHPDNAL-CYBMUJFWSA-N 2 2 259.353 1.917 20 30 CDEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000076002599 377218791 /nfs/dbraw/zinc/21/87/91/377218791.db2.gz KWBMSADNUVVETH-GJZGRUSLSA-N 2 2 294.443 1.411 20 30 CDEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000076002599 377218798 /nfs/dbraw/zinc/21/87/98/377218798.db2.gz KWBMSADNUVVETH-GJZGRUSLSA-N 2 2 294.443 1.411 20 30 CDEDLP C#CC[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285377918 378175857 /nfs/dbraw/zinc/17/58/57/378175857.db2.gz RTBQPAHPINANIQ-UHFFFAOYSA-N 2 2 271.408 1.764 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285377918 378175862 /nfs/dbraw/zinc/17/58/62/378175862.db2.gz RTBQPAHPINANIQ-UHFFFAOYSA-N 2 2 271.408 1.764 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293110812 378538333 /nfs/dbraw/zinc/53/83/33/378538333.db2.gz YMSYWUNBRYKEBL-QGZVFWFLSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293110812 378538337 /nfs/dbraw/zinc/53/83/37/378538337.db2.gz YMSYWUNBRYKEBL-QGZVFWFLSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293110812 378538341 /nfs/dbraw/zinc/53/83/41/378538341.db2.gz YMSYWUNBRYKEBL-QGZVFWFLSA-N 2 2 291.439 1.605 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293110812 378538347 /nfs/dbraw/zinc/53/83/47/378538347.db2.gz YMSYWUNBRYKEBL-QGZVFWFLSA-N 2 2 291.439 1.605 20 30 CDEDLP N#Cc1cnn2cc(C[NH2+]CCCCn3cc[nH+]c3)cnc12 ZINC000550859342 390495333 /nfs/dbraw/zinc/49/53/33/390495333.db2.gz RVTMXWCQHDSHRU-UHFFFAOYSA-N 2 2 295.350 1.367 20 30 CDEDLP C[NH+]=C(NCc1cn[nH]c1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261952057 391739718 /nfs/dbraw/zinc/73/97/18/391739718.db2.gz HRJFGEKUKOSHDQ-BXUZGUMPSA-N 2 2 292.431 1.112 20 30 CDEDLP C[NH+]=C(NCc1cn[nH]c1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261952057 391739722 /nfs/dbraw/zinc/73/97/22/391739722.db2.gz HRJFGEKUKOSHDQ-BXUZGUMPSA-N 2 2 292.431 1.112 20 30 CDEDLP C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310870 391760267 /nfs/dbraw/zinc/76/02/67/391760267.db2.gz VTONKWKQWBUEPO-OAHLLOKOSA-N 2 2 293.455 1.826 20 30 CDEDLP C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310870 391760271 /nfs/dbraw/zinc/76/02/71/391760271.db2.gz VTONKWKQWBUEPO-OAHLLOKOSA-N 2 2 293.455 1.826 20 30 CDEDLP C#CCNC(NCC[N@@H+]1CCc2sccc2C1)=[NH+]CC ZINC000262625611 391801516 /nfs/dbraw/zinc/80/15/16/391801516.db2.gz SJCOWDRKFZDPHT-UHFFFAOYSA-N 2 2 290.436 1.295 20 30 CDEDLP C#CCNC(NCC[N@H+]1CCc2sccc2C1)=[NH+]CC ZINC000262625611 391801522 /nfs/dbraw/zinc/80/15/22/391801522.db2.gz SJCOWDRKFZDPHT-UHFFFAOYSA-N 2 2 290.436 1.295 20 30 CDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]1C ZINC000262686350 391812690 /nfs/dbraw/zinc/81/26/90/391812690.db2.gz AQRKBNSUMSGHQM-PWSUYJOCSA-N 2 2 261.373 1.293 20 30 CDEDLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329847869 286830098 /nfs/dbraw/zinc/83/00/98/286830098.db2.gz PLRZZWNRHUPJML-ZDUSSCGKSA-N 2 2 291.399 1.487 20 30 CDEDLP CCN/C(=[NH+]/CC)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261966609 262758701 /nfs/dbraw/zinc/75/87/01/262758701.db2.gz LQAJBDWULYILQW-CHWSQXEVSA-N 2 2 263.389 1.751 20 30 CDEDLP CN(C(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000273358905 263016068 /nfs/dbraw/zinc/01/60/68/263016068.db2.gz SDICQYLRAFGIJR-UHFFFAOYSA-N 2 2 271.368 1.904 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000563365271 328059276 /nfs/dbraw/zinc/05/92/76/328059276.db2.gz PWCAWSNBCLKGLE-UONOGXRCSA-N 2 2 265.401 1.864 20 30 CDEDLP C[C@@H](CCC#N)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000563365271 328059277 /nfs/dbraw/zinc/05/92/77/328059277.db2.gz PWCAWSNBCLKGLE-UONOGXRCSA-N 2 2 265.401 1.864 20 30 CDEDLP CC#CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188299066 329367675 /nfs/dbraw/zinc/36/76/75/329367675.db2.gz HKZNVCLMUJMXCF-QGZVFWFLSA-N 2 2 272.392 1.579 20 30 CDEDLP CC#CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188299066 329367676 /nfs/dbraw/zinc/36/76/76/329367676.db2.gz HKZNVCLMUJMXCF-QGZVFWFLSA-N 2 2 272.392 1.579 20 30 CDEDLP CC#CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188299066 329367678 /nfs/dbraw/zinc/36/76/78/329367678.db2.gz HKZNVCLMUJMXCF-QGZVFWFLSA-N 2 2 272.392 1.579 20 30 CDEDLP CC#CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188299066 329367680 /nfs/dbraw/zinc/36/76/80/329367680.db2.gz HKZNVCLMUJMXCF-QGZVFWFLSA-N 2 2 272.392 1.579 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422861799 330158212 /nfs/dbraw/zinc/15/82/12/330158212.db2.gz OZRPNIFITHOFSS-LSDHHAIUSA-N 3 2 251.418 1.886 20 30 CDEDLP C=CCn1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)nn1 ZINC000424385990 330349490 /nfs/dbraw/zinc/34/94/90/330349490.db2.gz XBMFRUDNSVHAMI-KGLIPLIRSA-N 2 2 277.416 1.865 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)nn1 ZINC000424385992 330349565 /nfs/dbraw/zinc/34/95/65/330349565.db2.gz XBMFRUDNSVHAMI-UONOGXRCSA-N 2 2 277.416 1.865 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000791061338 1162188724 /nfs/dbraw/zinc/18/87/24/1162188724.db2.gz OEMBSKYYEJALBL-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000791061338 1162188729 /nfs/dbraw/zinc/18/87/29/1162188729.db2.gz OEMBSKYYEJALBL-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000791061338 1162188732 /nfs/dbraw/zinc/18/87/32/1162188732.db2.gz OEMBSKYYEJALBL-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000791061338 1162188736 /nfs/dbraw/zinc/18/87/36/1162188736.db2.gz OEMBSKYYEJALBL-GJZGRUSLSA-N 2 2 291.439 1.321 20 30 CDEDLP CC#CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352706773 526357607 /nfs/dbraw/zinc/35/76/07/526357607.db2.gz YIBZJBVJQAOEAN-UHFFFAOYSA-N 2 2 285.435 1.759 20 30 CDEDLP CC#CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352706773 526357618 /nfs/dbraw/zinc/35/76/18/526357618.db2.gz YIBZJBVJQAOEAN-UHFFFAOYSA-N 2 2 285.435 1.759 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516540 526524408 /nfs/dbraw/zinc/52/44/08/526524408.db2.gz LKJRJTPPHSFTSC-AWEZNQCLSA-N 2 2 267.417 1.295 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516540 526524409 /nfs/dbraw/zinc/52/44/09/526524409.db2.gz LKJRJTPPHSFTSC-AWEZNQCLSA-N 2 2 267.417 1.295 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796627 526622911 /nfs/dbraw/zinc/62/29/11/526622911.db2.gz VDKASFGPDFZKSO-GFCCVEGCSA-N 2 2 262.357 1.211 20 30 CDEDLP CC(=[NH+]NC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(N)cc1 ZINC000753935717 576866913 /nfs/dbraw/zinc/86/69/13/576866913.db2.gz PECWFOSFYMTYMK-OKILXGFUSA-N 2 2 271.368 1.853 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000950469657 612990076 /nfs/dbraw/zinc/99/00/76/612990076.db2.gz NMCWNLGATXPLRM-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000950469657 612990077 /nfs/dbraw/zinc/99/00/77/612990077.db2.gz NMCWNLGATXPLRM-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C=C(C)CC[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000957334920 613257248 /nfs/dbraw/zinc/25/72/48/613257248.db2.gz FFBQMIFSNQIVNU-UHFFFAOYSA-N 2 2 290.411 1.798 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000957424192 613295004 /nfs/dbraw/zinc/29/50/04/613295004.db2.gz IOFKXGPHTPDSKJ-MRXNPFEDSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000957424192 613295006 /nfs/dbraw/zinc/29/50/06/613295006.db2.gz IOFKXGPHTPDSKJ-MRXNPFEDSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929136 613335184 /nfs/dbraw/zinc/33/51/84/613335184.db2.gz IWRDRTCNMDCSNE-KGLIPLIRSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929136 613335185 /nfs/dbraw/zinc/33/51/85/613335185.db2.gz IWRDRTCNMDCSNE-KGLIPLIRSA-N 2 2 290.411 1.508 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969974586 613371669 /nfs/dbraw/zinc/37/16/69/613371669.db2.gz CECJLUSDUUIUEL-OCCSQVGLSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969974586 613371670 /nfs/dbraw/zinc/37/16/70/613371670.db2.gz CECJLUSDUUIUEL-OCCSQVGLSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970868965 613372267 /nfs/dbraw/zinc/37/22/67/613372267.db2.gz OTMNIXZOFVQYMI-NWDGAFQWSA-N 2 2 285.819 1.127 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970868965 613372268 /nfs/dbraw/zinc/37/22/68/613372268.db2.gz OTMNIXZOFVQYMI-NWDGAFQWSA-N 2 2 285.819 1.127 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655296 613593543 /nfs/dbraw/zinc/59/35/43/613593543.db2.gz NSTNNOQWPOJJRG-DZGCQCFKSA-N 2 2 288.395 1.041 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655296 613593544 /nfs/dbraw/zinc/59/35/44/613593544.db2.gz NSTNNOQWPOJJRG-DZGCQCFKSA-N 2 2 288.395 1.041 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000972515753 613614587 /nfs/dbraw/zinc/61/45/87/613614587.db2.gz BQHKVCOABYEFHL-GXTWGEPZSA-N 2 2 276.384 1.307 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000972515753 613614589 /nfs/dbraw/zinc/61/45/89/613614589.db2.gz BQHKVCOABYEFHL-GXTWGEPZSA-N 2 2 276.384 1.307 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000972515753 613614592 /nfs/dbraw/zinc/61/45/92/613614592.db2.gz BQHKVCOABYEFHL-GXTWGEPZSA-N 2 2 276.384 1.307 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000972515753 613614594 /nfs/dbraw/zinc/61/45/94/613614594.db2.gz BQHKVCOABYEFHL-GXTWGEPZSA-N 2 2 276.384 1.307 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000950089564 613654963 /nfs/dbraw/zinc/65/49/63/613654963.db2.gz HJNCPKZQNKCACA-CABCVRRESA-N 2 2 291.439 1.580 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000950089564 613654964 /nfs/dbraw/zinc/65/49/64/613654964.db2.gz HJNCPKZQNKCACA-CABCVRRESA-N 2 2 291.439 1.580 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000970402357 613865881 /nfs/dbraw/zinc/86/58/81/613865881.db2.gz MOJXJIUZQUIRNZ-CYBMUJFWSA-N 2 2 297.362 1.257 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892880504 617856186 /nfs/dbraw/zinc/85/61/86/617856186.db2.gz BPDSJUCXSROVNO-GJZGRUSLSA-N 2 2 298.402 1.860 20 30 CDEDLP C=C(Br)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129815317 620561290 /nfs/dbraw/zinc/56/12/90/620561290.db2.gz NRVQLEANYOYBQR-UHFFFAOYSA-N 2 2 290.249 1.464 20 30 CDEDLP C=C(Br)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129815317 620561291 /nfs/dbraw/zinc/56/12/91/620561291.db2.gz NRVQLEANYOYBQR-UHFFFAOYSA-N 2 2 290.249 1.464 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000923598468 631977472 /nfs/dbraw/zinc/97/74/72/631977472.db2.gz UQZNCYCJBVVPDX-OAHLLOKOSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000923598468 631977476 /nfs/dbraw/zinc/97/74/76/631977476.db2.gz UQZNCYCJBVVPDX-OAHLLOKOSA-N 2 2 291.439 1.465 20 30 CDEDLP N#CCc1cc[nH+]c(NCc2ncn3c2C[NH2+]CCC3)c1 ZINC001158362745 1162918566 /nfs/dbraw/zinc/91/85/66/1162918566.db2.gz OECDVJVYRVEUIU-UHFFFAOYSA-N 2 2 282.351 1.450 20 30 CDEDLP C=CCCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001113172416 1162122887 /nfs/dbraw/zinc/12/28/87/1162122887.db2.gz GQQVXSVPXKNLID-UHFFFAOYSA-N 2 2 276.384 1.384 20 30 CDEDLP C[C@@H]1CNC(NN=C2CC[N@H+](Cc3ccccc3)[C@H]2C)=[NH+]1 ZINC000811646909 1163510532 /nfs/dbraw/zinc/51/05/32/1163510532.db2.gz QBUYQKGVKANMJW-OLZOCXBDSA-N 2 2 285.395 1.574 20 30 CDEDLP C[C@@H]1CNC(NN=C2CC[N@@H+](Cc3ccccc3)[C@H]2C)=[NH+]1 ZINC000811646909 1163510536 /nfs/dbraw/zinc/51/05/36/1163510536.db2.gz QBUYQKGVKANMJW-OLZOCXBDSA-N 2 2 285.395 1.574 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC001574674255 1170999118 /nfs/dbraw/zinc/99/91/18/1170999118.db2.gz XHMUMAWRSOXBLR-NVXWUHKLSA-N 2 2 297.402 1.087 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC001574674255 1170999122 /nfs/dbraw/zinc/99/91/22/1170999122.db2.gz XHMUMAWRSOXBLR-NVXWUHKLSA-N 2 2 297.402 1.087 20 30 CDEDLP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001753015423 1184995880 /nfs/dbraw/zinc/99/58/80/1184995880.db2.gz JIFKGFZWEIPBPB-QWHCGFSZSA-N 2 2 276.384 1.096 20 30 CDEDLP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001753015423 1184995885 /nfs/dbraw/zinc/99/58/85/1184995885.db2.gz JIFKGFZWEIPBPB-QWHCGFSZSA-N 2 2 276.384 1.096 20 30 CDEDLP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001753477123 1185228340 /nfs/dbraw/zinc/22/83/40/1185228340.db2.gz LUWOECIPBBROMA-OLZOCXBDSA-N 2 2 276.384 1.116 20 30 CDEDLP C#CC[NH2+]C[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753626909 1185275862 /nfs/dbraw/zinc/27/58/62/1185275862.db2.gz VKCGDDMMDKLVNP-NSHDSACASA-N 2 2 273.380 1.596 20 30 CDEDLP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001753722781 1185317628 /nfs/dbraw/zinc/31/76/28/1185317628.db2.gz YAXCJLNMPLMJPL-AWEZNQCLSA-N 2 2 292.427 1.755 20 30 CDEDLP C=CCC[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001754003607 1185423206 /nfs/dbraw/zinc/42/32/06/1185423206.db2.gz KKMVEBVPSQUOHF-LLVKDONJSA-N 2 2 250.346 1.013 20 30 CDEDLP C=CC[NH+]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001165033337 721863503 /nfs/dbraw/zinc/86/35/03/721863503.db2.gz KHZRZRGGMSNKNR-UHFFFAOYSA-N 2 2 297.406 1.297 20 30 CDEDLP N#Cc1cc(F)ccc1N1CC[NH+](CCC[NH3+])CC1 ZINC000866703379 735137176 /nfs/dbraw/zinc/13/71/76/735137176.db2.gz LWWIGBLUFSCHIF-UHFFFAOYSA-N 2 2 262.332 1.168 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001019212961 735137303 /nfs/dbraw/zinc/13/73/03/735137303.db2.gz WIJGCDPWCOSAPE-LBPRGKRZSA-N 2 2 282.775 1.216 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030432548 735280736 /nfs/dbraw/zinc/28/07/36/735280736.db2.gz KCTRGAXEUKTTJM-CQSZACIVSA-N 2 2 279.428 1.341 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030432548 735280741 /nfs/dbraw/zinc/28/07/41/735280741.db2.gz KCTRGAXEUKTTJM-CQSZACIVSA-N 2 2 279.428 1.341 20 30 CDEDLP C=C(Cl)C[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989475543 735422655 /nfs/dbraw/zinc/42/26/55/735422655.db2.gz ZSFIPVYADNQZPF-AWEZNQCLSA-N 2 2 299.846 1.615 20 30 CDEDLP C=C(Cl)C[NH+]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989475543 735422657 /nfs/dbraw/zinc/42/26/57/735422657.db2.gz ZSFIPVYADNQZPF-AWEZNQCLSA-N 2 2 299.846 1.615 20 30 CDEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989475543 735422659 /nfs/dbraw/zinc/42/26/59/735422659.db2.gz ZSFIPVYADNQZPF-AWEZNQCLSA-N 2 2 299.846 1.615 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989475543 735422662 /nfs/dbraw/zinc/42/26/62/735422662.db2.gz ZSFIPVYADNQZPF-AWEZNQCLSA-N 2 2 299.846 1.615 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749857 735869131 /nfs/dbraw/zinc/86/91/31/735869131.db2.gz GJGPNGQKWSYRJJ-LSDHHAIUSA-N 2 2 286.379 1.041 20 30 CDEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000819283740 733287723 /nfs/dbraw/zinc/28/77/23/733287723.db2.gz ITAPRVVJZPNUPK-SJORKVTESA-N 2 2 274.408 1.727 20 30 CDEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000819283740 733287731 /nfs/dbraw/zinc/28/77/31/733287731.db2.gz ITAPRVVJZPNUPK-SJORKVTESA-N 2 2 274.408 1.727 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030432547 733308007 /nfs/dbraw/zinc/30/80/07/733308007.db2.gz KCTRGAXEUKTTJM-AWEZNQCLSA-N 2 2 279.428 1.341 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030432547 733308008 /nfs/dbraw/zinc/30/80/08/733308008.db2.gz KCTRGAXEUKTTJM-AWEZNQCLSA-N 2 2 279.428 1.341 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376423687 733388827 /nfs/dbraw/zinc/38/88/27/733388827.db2.gz CYYMNOMUEPCHJZ-OLZOCXBDSA-N 2 2 276.384 1.290 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376423687 733388835 /nfs/dbraw/zinc/38/88/35/733388835.db2.gz CYYMNOMUEPCHJZ-OLZOCXBDSA-N 2 2 276.384 1.290 20 30 CDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001017664671 733439388 /nfs/dbraw/zinc/43/93/88/733439388.db2.gz YFZIMQLHFXZVAU-OWCLPIDISA-N 2 2 289.423 1.169 20 30 CDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001017664671 733439393 /nfs/dbraw/zinc/43/93/93/733439393.db2.gz YFZIMQLHFXZVAU-OWCLPIDISA-N 2 2 289.423 1.169 20 30 CDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001017664671 733439399 /nfs/dbraw/zinc/43/93/99/733439399.db2.gz YFZIMQLHFXZVAU-OWCLPIDISA-N 2 2 289.423 1.169 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C=CC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538793 937064378 /nfs/dbraw/zinc/06/43/78/937064378.db2.gz VFZIJKYENWMMIE-ZIAGYGMSSA-N 2 2 290.411 1.223 20 30 CDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538793 937064381 /nfs/dbraw/zinc/06/43/81/937064381.db2.gz VFZIJKYENWMMIE-ZIAGYGMSSA-N 2 2 290.411 1.223 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695278 926287648 /nfs/dbraw/zinc/28/76/48/926287648.db2.gz FNBDEDAYNZITMG-OAHLLOKOSA-N 2 2 289.423 1.171 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695278 926287655 /nfs/dbraw/zinc/28/76/55/926287655.db2.gz FNBDEDAYNZITMG-OAHLLOKOSA-N 2 2 289.423 1.171 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086121433 926729583 /nfs/dbraw/zinc/72/95/83/926729583.db2.gz SMBKVNKIJAGVSV-BJHJDKERSA-N 2 2 282.347 1.294 20 30 CDEDLP N#CCc1cc(-n2ncc3c2cccc3C[NH3+])cc[nH+]1 ZINC001169192097 927801752 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C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945200 930553030 /nfs/dbraw/zinc/55/30/30/930553030.db2.gz WJLLSHZKMOLBLG-QWHCGFSZSA-N 2 2 278.400 1.412 20 30 CDEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944768 930553172 /nfs/dbraw/zinc/55/31/72/930553172.db2.gz PFLAIAFDMBWKFN-UONOGXRCSA-N 2 2 292.427 1.802 20 30 CDEDLP CC(C)N(CCC[NH3+])c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001156124075 938322187 /nfs/dbraw/zinc/32/21/87/938322187.db2.gz KRCABZSCQNGGPO-UHFFFAOYSA-N 2 2 257.341 1.998 20 30 CDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676893 938405001 /nfs/dbraw/zinc/40/50/01/938405001.db2.gz LMKZNAWPXXFVJQ-CQSZACIVSA-N 2 2 290.411 1.203 20 30 CDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676893 938405004 /nfs/dbraw/zinc/40/50/04/938405004.db2.gz LMKZNAWPXXFVJQ-CQSZACIVSA-N 2 2 290.411 1.203 20 30 CDEDLP N#CCc1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)[nH+]c1 ZINC001163270610 939236815 /nfs/dbraw/zinc/23/68/15/939236815.db2.gz ODOVURLBFOUSNM-HOCLYGCPSA-N 2 2 286.379 1.718 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001207620861 940222021 /nfs/dbraw/zinc/22/20/21/940222021.db2.gz AIFSXHMCQBZIAB-RDBSUJKOSA-N 2 2 252.406 1.150 20 30 CDEDLP C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001207620861 940222023 /nfs/dbraw/zinc/22/20/23/940222023.db2.gz AIFSXHMCQBZIAB-RDBSUJKOSA-N 2 2 252.406 1.150 20 30 CDEDLP CC(C)C[C@](C)(C#N)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001221292238 941513488 /nfs/dbraw/zinc/51/34/88/941513488.db2.gz HZKZFZGSVSLBRR-GDBMZVCRSA-N 2 2 288.395 1.703 20 30 CDEDLP C=CCCC[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224673027 941781994 /nfs/dbraw/zinc/78/19/94/941781994.db2.gz QKICBRQWWBNPRJ-UHFFFAOYSA-N 2 2 290.411 1.747 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227137596 942139137 /nfs/dbraw/zinc/13/91/37/942139137.db2.gz BFMNACQIRHGHLP-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228800902 942378588 /nfs/dbraw/zinc/37/85/88/942378588.db2.gz QUKGFPXBNGKSJH-ZIAGYGMSSA-N 2 2 276.384 1.545 20 30 CDEDLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3O)C[C@H]2C1 ZINC001233388218 943572672 /nfs/dbraw/zinc/57/26/72/943572672.db2.gz QKZLVTKGZIFDLI-HUUCEWRRSA-N 2 2 271.364 1.647 20 30 CDEDLP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976261 943705423 /nfs/dbraw/zinc/70/54/23/943705423.db2.gz DFLPRBQYVRBPFG-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976261 943705425 /nfs/dbraw/zinc/70/54/25/943705425.db2.gz DFLPRBQYVRBPFG-AWEZNQCLSA-N 2 2 290.411 1.841 20 30 CDEDLP C#CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234068268 943732723 /nfs/dbraw/zinc/73/27/23/943732723.db2.gz ZTOSILZSGNCHOC-UHFFFAOYSA-N 2 2 255.321 1.946 20 30 CDEDLP C#CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234068268 943732728 /nfs/dbraw/zinc/73/27/28/943732728.db2.gz ZTOSILZSGNCHOC-UHFFFAOYSA-N 2 2 255.321 1.946 20 30 CDEDLP COCCOC[N@@H+]1CCCC2(CC[NH+](CCC#N)CC2)C1 ZINC001277938794 944130514 /nfs/dbraw/zinc/13/05/14/944130514.db2.gz FCYUDCFWRMBLBW-UHFFFAOYSA-N 2 2 295.427 1.699 20 30 CDEDLP COCCOC[N@H+]1CCCC2(CC[NH+](CCC#N)CC2)C1 ZINC001277938794 944130518 /nfs/dbraw/zinc/13/05/18/944130518.db2.gz FCYUDCFWRMBLBW-UHFFFAOYSA-N 2 2 295.427 1.699 20 30 CDEDLP N#CCCC[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277944841 944153082 /nfs/dbraw/zinc/15/30/82/944153082.db2.gz BVDNYEJYPFEQFL-UHFFFAOYSA-N 2 2 287.411 1.585 20 30 CDEDLP N#CCCC[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277944841 944153087 /nfs/dbraw/zinc/15/30/87/944153087.db2.gz BVDNYEJYPFEQFL-UHFFFAOYSA-N 2 2 287.411 1.585 20 30 CDEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccnc(C#N)c1)CC2 ZINC001237462759 944794449 /nfs/dbraw/zinc/79/44/49/944794449.db2.gz KCJRYYNDCJQTRY-UHFFFAOYSA-N 2 2 299.378 1.583 20 30 CDEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246029868 947911009 /nfs/dbraw/zinc/91/10/09/947911009.db2.gz DDOFQFBYLHHDGA-CABCVRRESA-N 2 2 272.433 1.364 20 30 CDEDLP CCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246029868 947911014 /nfs/dbraw/zinc/91/10/14/947911014.db2.gz DDOFQFBYLHHDGA-CABCVRRESA-N 2 2 272.433 1.364 20 30 CDEDLP N#Cc1cccc(OCCC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246330766 948110476 /nfs/dbraw/zinc/11/04/76/948110476.db2.gz UQSMERHISLHTNU-CQSZACIVSA-N 2 2 259.353 1.669 20 30 CDEDLP C=CCCCNC(=S)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001247776037 948766476 /nfs/dbraw/zinc/76/64/76/948766476.db2.gz ODFSCYPETOWTRF-UHFFFAOYSA-N 2 2 298.500 1.443 20 30 CDEDLP C#CCOC[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001251881147 950911540 /nfs/dbraw/zinc/91/15/40/950911540.db2.gz OPEMGDTZOKSNJE-SJORKVTESA-N 2 2 290.407 1.280 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001480767134 971871142 /nfs/dbraw/zinc/87/11/42/971871142.db2.gz HVHLAZBQZXURJO-NSHDSACASA-N 2 2 284.791 1.579 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001480767134 971871144 /nfs/dbraw/zinc/87/11/44/971871144.db2.gz HVHLAZBQZXURJO-NSHDSACASA-N 2 2 284.791 1.579 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419995907 962345419 /nfs/dbraw/zinc/34/54/19/962345419.db2.gz GCQKGPDWRPYRMK-LLVKDONJSA-N 2 2 282.775 1.143 20 30 CDEDLP C=CCC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001100716716 969004100 /nfs/dbraw/zinc/00/41/00/969004100.db2.gz NFYRXUKXQQBIRN-NFOMZHRRSA-N 2 2 290.411 1.895 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132274016 1163225272 /nfs/dbraw/zinc/22/52/72/1163225272.db2.gz NCFXLOGKUGXXPO-QWHCGFSZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132274016 1163225275 /nfs/dbraw/zinc/22/52/75/1163225275.db2.gz NCFXLOGKUGXXPO-QWHCGFSZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868368 342650731 /nfs/dbraw/zinc/65/07/31/342650731.db2.gz YDBGCOVPUZHAQG-HNNXBMFYSA-N 2 2 288.395 1.721 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868368 342650732 /nfs/dbraw/zinc/65/07/32/342650732.db2.gz YDBGCOVPUZHAQG-HNNXBMFYSA-N 2 2 288.395 1.721 20 30 CDEDLP C=CC[N@@H+](C[C@H](C)[NH3+])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000442650520 362077076 /nfs/dbraw/zinc/07/70/76/362077076.db2.gz PMRMTCJGARGUSQ-STQMWFEESA-N 2 2 286.383 1.559 20 30 CDEDLP C=CC[N@H+](C[C@H](C)[NH3+])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000442650520 362077079 /nfs/dbraw/zinc/07/70/79/362077079.db2.gz PMRMTCJGARGUSQ-STQMWFEESA-N 2 2 286.383 1.559 20 30 CDEDLP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1C[C@@H]1C ZINC000083899937 342377879 /nfs/dbraw/zinc/37/78/79/342377879.db2.gz MOANXNLCGZTJDT-GXTWGEPZSA-N 2 2 285.395 1.840 20 30 CDEDLP C[NH+]1CCN(c2ccc(N[C@H]3CC[C@H](C#N)C3)[nH+]c2)CC1 ZINC000333144125 529777434 /nfs/dbraw/zinc/77/74/34/529777434.db2.gz ZJQOXTYBMBLVIG-KBPBESRZSA-N 2 2 285.395 1.938 20 30 CDEDLP C[NH+]1CCN(c2ccc(N[C@@H]3CC[C@@H](C#N)C3)[nH+]c2)CC1 ZINC000333144669 529777610 /nfs/dbraw/zinc/77/76/10/529777610.db2.gz ZJQOXTYBMBLVIG-ZIAGYGMSSA-N 2 2 285.395 1.938 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602537641 344471409 /nfs/dbraw/zinc/47/14/09/344471409.db2.gz ANVLFASDVOZPTJ-UHFFFAOYSA-N 2 2 256.353 1.693 20 30 CDEDLP [NH2+]=C(NCCn1cc[nH+]c1)Nc1ccc2c(c1)CCC2 ZINC000263275830 362427292 /nfs/dbraw/zinc/42/72/92/362427292.db2.gz YKJNXGGYFDXHLD-UHFFFAOYSA-N 2 2 269.352 1.799 20 30 CDEDLP CC#CC[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000641768709 365835601 /nfs/dbraw/zinc/83/56/01/365835601.db2.gz GLGYIUBGGVCMRR-KBAYOESNSA-N 2 2 286.419 1.871 20 30 CDEDLP CC#CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000641768709 365835606 /nfs/dbraw/zinc/83/56/06/365835606.db2.gz GLGYIUBGGVCMRR-KBAYOESNSA-N 2 2 286.419 1.871 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000619718395 348184169 /nfs/dbraw/zinc/18/41/69/348184169.db2.gz LJGYBVKDNHWCPX-UONOGXRCSA-N 2 2 284.400 1.147 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000619718395 348184171 /nfs/dbraw/zinc/18/41/71/348184171.db2.gz LJGYBVKDNHWCPX-UONOGXRCSA-N 2 2 284.400 1.147 20 30 CDEDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602523666 350119775 /nfs/dbraw/zinc/11/97/75/350119775.db2.gz FBWUGLKDSUWVDS-ZDUSSCGKSA-N 2 2 258.369 1.775 20 30 CDEDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602523666 350119779 /nfs/dbraw/zinc/11/97/79/350119779.db2.gz FBWUGLKDSUWVDS-ZDUSSCGKSA-N 2 2 258.369 1.775 20 30 CDEDLP CC[C@H](C)NC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000264153773 362981354 /nfs/dbraw/zinc/98/13/54/362981354.db2.gz ADQPYNWVSDGTDR-LBPRGKRZSA-N 2 2 263.389 1.977 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000337188315 360031438 /nfs/dbraw/zinc/03/14/38/360031438.db2.gz QGVJHXLYTABSLY-KGLIPLIRSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000337188315 360031442 /nfs/dbraw/zinc/03/14/42/360031442.db2.gz QGVJHXLYTABSLY-KGLIPLIRSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000337188315 360031447 /nfs/dbraw/zinc/03/14/47/360031447.db2.gz QGVJHXLYTABSLY-KGLIPLIRSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000337188315 360031453 /nfs/dbraw/zinc/03/14/53/360031453.db2.gz QGVJHXLYTABSLY-KGLIPLIRSA-N 2 2 265.401 1.047 20 30 CDEDLP C=CCOCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337415605 360103238 /nfs/dbraw/zinc/10/32/38/360103238.db2.gz RFTBMYBXYJDNMB-MRXNPFEDSA-N 2 2 282.428 1.623 20 30 CDEDLP C=CCOCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337415605 360103243 /nfs/dbraw/zinc/10/32/43/360103243.db2.gz RFTBMYBXYJDNMB-MRXNPFEDSA-N 2 2 282.428 1.623 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCSCC#N)C1 ZINC000536066861 361241186 /nfs/dbraw/zinc/24/11/86/361241186.db2.gz KKQYXFRNBVLZBS-GFCCVEGCSA-N 2 2 264.398 1.856 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000536066861 361241191 /nfs/dbraw/zinc/24/11/91/361241191.db2.gz KKQYXFRNBVLZBS-GFCCVEGCSA-N 2 2 264.398 1.856 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000491309256 364950970 /nfs/dbraw/zinc/95/09/70/364950970.db2.gz YEDKVVULTXEBGK-HNNXBMFYSA-N 2 2 291.439 1.322 20 30 CDEDLP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)NCc1ccco1 ZINC000171412257 365276043 /nfs/dbraw/zinc/27/60/43/365276043.db2.gz WRANQEPTNJLERX-UHFFFAOYSA-N 2 2 294.399 1.055 20 30 CDEDLP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)NCc1ccco1 ZINC000171412257 365276048 /nfs/dbraw/zinc/27/60/48/365276048.db2.gz WRANQEPTNJLERX-UHFFFAOYSA-N 2 2 294.399 1.055 20 30 CDEDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000270849839 366938396 /nfs/dbraw/zinc/93/83/96/366938396.db2.gz POIMIUCXRNFVKK-UHFFFAOYSA-N 2 2 296.378 1.280 20 30 CDEDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271913875 367035228 /nfs/dbraw/zinc/03/52/28/367035228.db2.gz FTLMLUNNOWQHIG-SWLSCSKDSA-N 2 2 291.370 1.805 20 30 CDEDLP N#Cc1ccc(OCCC[N@H+]2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC001580071322 1172341932 /nfs/dbraw/zinc/34/19/32/1172341932.db2.gz DPHUBAPQJWEBQD-INIZCTEOSA-N 2 2 289.379 1.113 20 30 CDEDLP N#Cc1ccc(OCCC[N@@H+]2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC001580071322 1172341938 /nfs/dbraw/zinc/34/19/38/1172341938.db2.gz DPHUBAPQJWEBQD-INIZCTEOSA-N 2 2 289.379 1.113 20 30 CDEDLP CC[C@](C)(C#N)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375738401 370946250 /nfs/dbraw/zinc/94/62/50/370946250.db2.gz NSHDGOSBIACCGY-XJKSGUPXSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[C@](C)(C#N)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375738401 370946256 /nfs/dbraw/zinc/94/62/56/370946256.db2.gz NSHDGOSBIACCGY-XJKSGUPXSA-N 2 2 292.427 1.211 20 30 CDEDLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000232314331 372961119 /nfs/dbraw/zinc/96/11/19/372961119.db2.gz UFWSRZJDSRSHBW-CABCVRRESA-N 2 2 258.369 1.613 20 30 CDEDLP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000232314331 372961126 /nfs/dbraw/zinc/96/11/26/372961126.db2.gz UFWSRZJDSRSHBW-CABCVRRESA-N 2 2 258.369 1.613 20 30 CDEDLP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC000443992449 250069402 /nfs/dbraw/zinc/06/94/02/250069402.db2.gz YMUGHXMFCTUEDE-AWEZNQCLSA-N 2 2 287.407 1.925 20 30 CDEDLP C#Cc1ccc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000278837144 194176753 /nfs/dbraw/zinc/17/67/53/194176753.db2.gz CZJBCGCVXTVLJQ-UHFFFAOYSA-N 2 2 299.418 1.310 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243651 390671281 /nfs/dbraw/zinc/67/12/81/390671281.db2.gz YDBOWCRNVUMIAV-UHFFFAOYSA-N 2 2 289.383 1.282 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266915705 391183844 /nfs/dbraw/zinc/18/38/44/391183844.db2.gz KKTOWTXXVRVSRK-QWHCGFSZSA-N 2 2 289.383 1.350 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266915705 391183846 /nfs/dbraw/zinc/18/38/46/391183846.db2.gz KKTOWTXXVRVSRK-QWHCGFSZSA-N 2 2 289.383 1.350 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428807 391299206 /nfs/dbraw/zinc/29/92/06/391299206.db2.gz PDXGCPOYQXQKKE-UKRRQHHQSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428807 391299207 /nfs/dbraw/zinc/29/92/07/391299207.db2.gz PDXGCPOYQXQKKE-UKRRQHHQSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428807 391299208 /nfs/dbraw/zinc/29/92/08/391299208.db2.gz PDXGCPOYQXQKKE-UKRRQHHQSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428807 391299209 /nfs/dbraw/zinc/29/92/09/391299209.db2.gz PDXGCPOYQXQKKE-UKRRQHHQSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=[NH2+])NCCn1c(C)[nH+]c2ccccc21 ZINC000261687742 391678605 /nfs/dbraw/zinc/67/86/05/391678605.db2.gz AUXGQQREAUNHPJ-UHFFFAOYSA-N 2 2 257.341 1.435 20 30 CDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C#N)n(C)c1 ZINC000191438506 130235473 /nfs/dbraw/zinc/23/54/73/130235473.db2.gz WAMZTPQIGPRJIJ-CABCVRRESA-N 2 2 272.396 1.955 20 30 CDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C#N)n(C)c1 ZINC000191438506 130235475 /nfs/dbraw/zinc/23/54/75/130235475.db2.gz WAMZTPQIGPRJIJ-CABCVRRESA-N 2 2 272.396 1.955 20 30 CDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC000191438506 130235476 /nfs/dbraw/zinc/23/54/76/130235476.db2.gz WAMZTPQIGPRJIJ-CABCVRRESA-N 2 2 272.396 1.955 20 30 CDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC000191438506 130235479 /nfs/dbraw/zinc/23/54/79/130235479.db2.gz WAMZTPQIGPRJIJ-CABCVRRESA-N 2 2 272.396 1.955 20 30 CDEDLP CN1CC[NH+]=C1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000262644699 391805622 /nfs/dbraw/zinc/80/56/22/391805622.db2.gz IUKXTOXYHSAJJO-LBPRGKRZSA-N 2 2 262.357 1.308 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(F)c1 ZINC000269468775 132175769 /nfs/dbraw/zinc/17/57/69/132175769.db2.gz ZPROJESPEVQAFK-AWEZNQCLSA-N 2 2 277.343 1.244 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000068800754 287033949 /nfs/dbraw/zinc/03/39/49/287033949.db2.gz QTJCCHGGYOWTNG-CZUORRHYSA-N 2 2 272.396 1.455 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000068800754 287033950 /nfs/dbraw/zinc/03/39/50/287033950.db2.gz QTJCCHGGYOWTNG-CZUORRHYSA-N 2 2 272.396 1.455 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361226383 261177704 /nfs/dbraw/zinc/17/77/04/261177704.db2.gz BAGDATFJORLFKH-GDBMZVCRSA-N 3 2 265.445 1.957 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000361226383 261177707 /nfs/dbraw/zinc/17/77/07/261177707.db2.gz BAGDATFJORLFKH-GDBMZVCRSA-N 3 2 265.445 1.957 20 30 CDEDLP CN(C)C(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000170906448 261448053 /nfs/dbraw/zinc/44/80/53/261448053.db2.gz XTUMLICYDFCJJI-GFCCVEGCSA-N 2 2 252.337 1.305 20 30 CDEDLP CNC(=[NH2+])NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287275278 328250509 /nfs/dbraw/zinc/25/05/09/328250509.db2.gz RFBAEXIDSIIFAW-AWEZNQCLSA-N 2 2 278.400 1.611 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000171690381 329078576 /nfs/dbraw/zinc/07/85/76/329078576.db2.gz ZTYXJVVWZCFFHA-GFCCVEGCSA-N 2 2 253.390 1.140 20 30 CDEDLP C#CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188293179 329367415 /nfs/dbraw/zinc/36/74/15/329367415.db2.gz MQUYDSFIEGVZDD-MRXNPFEDSA-N 2 2 258.365 1.188 20 30 CDEDLP C#CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188293179 329367417 /nfs/dbraw/zinc/36/74/17/329367417.db2.gz MQUYDSFIEGVZDD-MRXNPFEDSA-N 2 2 258.365 1.188 20 30 CDEDLP C#CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188293179 329367418 /nfs/dbraw/zinc/36/74/18/329367418.db2.gz MQUYDSFIEGVZDD-MRXNPFEDSA-N 2 2 258.365 1.188 20 30 CDEDLP C#CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188293179 329367419 /nfs/dbraw/zinc/36/74/19/329367419.db2.gz MQUYDSFIEGVZDD-MRXNPFEDSA-N 2 2 258.365 1.188 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000328127065 330322575 /nfs/dbraw/zinc/32/25/75/330322575.db2.gz UROSGSGKOUYDKR-RBSFLKMASA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000328127065 330322576 /nfs/dbraw/zinc/32/25/76/330322576.db2.gz UROSGSGKOUYDKR-RBSFLKMASA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000328127065 330322577 /nfs/dbraw/zinc/32/25/77/330322577.db2.gz UROSGSGKOUYDKR-RBSFLKMASA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000328127065 330322578 /nfs/dbraw/zinc/32/25/78/330322578.db2.gz UROSGSGKOUYDKR-RBSFLKMASA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cccc(C)c2)CC1 ZINC000490760547 332113372 /nfs/dbraw/zinc/11/33/72/332113372.db2.gz NRFAQGQAYQEVPA-UHFFFAOYSA-N 2 2 299.418 1.204 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2cccc(C)c2)CC1 ZINC000490760547 332113373 /nfs/dbraw/zinc/11/33/73/332113373.db2.gz NRFAQGQAYQEVPA-UHFFFAOYSA-N 2 2 299.418 1.204 20 30 CDEDLP CCNC(NC[C@@H](c1cccc(OC)c1)[NH+](C)C)=[NH+]CC ZINC000264132002 334676932 /nfs/dbraw/zinc/67/69/32/334676932.db2.gz UGCSZZMKAFNMDO-HNNXBMFYSA-N 2 2 292.427 1.873 20 30 CDEDLP COCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181393432 536892978 /nfs/dbraw/zinc/89/29/78/536892978.db2.gz DKJFXVRQQPTVDP-UHFFFAOYSA-N 2 2 273.380 1.759 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000731838657 575065095 /nfs/dbraw/zinc/06/50/95/575065095.db2.gz MXDPVVSHLZLOHJ-HNNXBMFYSA-N 2 2 296.374 1.357 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000731838657 575065097 /nfs/dbraw/zinc/06/50/97/575065097.db2.gz MXDPVVSHLZLOHJ-HNNXBMFYSA-N 2 2 296.374 1.357 20 30 CDEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969674883 613120576 /nfs/dbraw/zinc/12/05/76/613120576.db2.gz RFFQITWXSQLFKS-CYBMUJFWSA-N 2 2 296.374 1.326 20 30 CDEDLP C=CCC[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981069773 613492176 /nfs/dbraw/zinc/49/21/76/613492176.db2.gz BMVRVFQPOVDQOF-UHFFFAOYSA-N 2 2 276.384 1.453 20 30 CDEDLP C=CCC[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981069773 613492177 /nfs/dbraw/zinc/49/21/77/613492177.db2.gz BMVRVFQPOVDQOF-UHFFFAOYSA-N 2 2 276.384 1.453 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981409955 613861831 /nfs/dbraw/zinc/86/18/31/613861831.db2.gz JIJDXLOOAOFNEY-NEPJUHHUSA-N 2 2 262.357 1.155 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000969408493 613865703 /nfs/dbraw/zinc/86/57/03/613865703.db2.gz NTACBQAGSHOMAN-CQSZACIVSA-N 2 2 273.380 1.997 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000908436217 628198535 /nfs/dbraw/zinc/19/85/35/628198535.db2.gz DYKSGUOEOOQOJD-UHFFFAOYSA-N 2 2 273.380 1.692 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000908436217 628198537 /nfs/dbraw/zinc/19/85/37/628198537.db2.gz DYKSGUOEOOQOJD-UHFFFAOYSA-N 2 2 273.380 1.692 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219743 1160342123 /nfs/dbraw/zinc/34/21/23/1160342123.db2.gz SWXGEJFAOTUQOE-CABCVRRESA-N 2 2 288.395 1.240 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219743 1160342127 /nfs/dbraw/zinc/34/21/27/1160342127.db2.gz SWXGEJFAOTUQOE-CABCVRRESA-N 2 2 288.395 1.240 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097219149 1166966499 /nfs/dbraw/zinc/96/64/99/1166966499.db2.gz VCBZDVYQGATLON-APIJFGDWSA-N 2 2 298.390 1.115 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097219149 1166966513 /nfs/dbraw/zinc/96/65/13/1166966513.db2.gz VCBZDVYQGATLON-APIJFGDWSA-N 2 2 298.390 1.115 20 30 CDEDLP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001752679849 1184893193 /nfs/dbraw/zinc/89/31/93/1184893193.db2.gz SGFMKAJGSKSKFG-HDJSIYSDSA-N 2 2 290.411 1.556 20 30 CDEDLP C=C(C)CC[NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001753256887 1185133984 /nfs/dbraw/zinc/13/39/84/1185133984.db2.gz FZLFFZNYWHMBET-UHFFFAOYSA-N 2 2 264.373 1.275 20 30 CDEDLP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753355498 1185167296 /nfs/dbraw/zinc/16/72/96/1185167296.db2.gz JCHNFIYKDZZYKA-CYBMUJFWSA-N 2 2 276.384 1.309 20 30 CDEDLP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753355498 1185167300 /nfs/dbraw/zinc/16/73/00/1185167300.db2.gz JCHNFIYKDZZYKA-CYBMUJFWSA-N 2 2 276.384 1.309 20 30 CDEDLP C=CC[NH2+][C@H](CNC(=O)CCc1[nH+]ccn1C)C(C)C ZINC001753835165 1185351028 /nfs/dbraw/zinc/35/10/28/1185351028.db2.gz PFVUYPZHGLPOFJ-CYBMUJFWSA-N 2 2 278.400 1.269 20 30 CDEDLP C=CCC[NH2+]CCN(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC001754079022 1185451363 /nfs/dbraw/zinc/45/13/63/1185451363.db2.gz ZXOVTZBLYBWLMG-UHFFFAOYSA-N 2 2 264.373 1.275 20 30 CDEDLP C#CC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001754934736 1185765741 /nfs/dbraw/zinc/76/57/41/1185765741.db2.gz 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C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027792759 738521333 /nfs/dbraw/zinc/52/13/33/738521333.db2.gz VKNDAPAMTXRPRV-OLZOCXBDSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792759 738521338 /nfs/dbraw/zinc/52/13/38/738521338.db2.gz VKNDAPAMTXRPRV-OLZOCXBDSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792759 738521345 /nfs/dbraw/zinc/52/13/45/738521345.db2.gz VKNDAPAMTXRPRV-OLZOCXBDSA-N 2 2 285.819 1.414 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001014729016 738241486 /nfs/dbraw/zinc/24/14/86/738241486.db2.gz PEYDLQPESJTRSZ-STQMWFEESA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001014729016 738241498 /nfs/dbraw/zinc/24/14/98/738241498.db2.gz PEYDLQPESJTRSZ-STQMWFEESA-N 2 2 274.368 1.137 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC)C1 ZINC001034248803 738716941 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C=CCC[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000786102225 739007024 /nfs/dbraw/zinc/00/70/24/739007024.db2.gz UCDYAGLMIQBXHW-GFCCVEGCSA-N 2 2 262.357 1.201 20 30 CDEDLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1C#N ZINC000817914991 738909936 /nfs/dbraw/zinc/90/99/36/738909936.db2.gz FOWKKHIMGYNKMR-RISCZKNCSA-N 2 2 259.353 1.654 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453638 736525930 /nfs/dbraw/zinc/52/59/30/736525930.db2.gz YIJBNUVWVUPWKQ-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453638 736525932 /nfs/dbraw/zinc/52/59/32/736525932.db2.gz YIJBNUVWVUPWKQ-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007686416 736684212 /nfs/dbraw/zinc/68/42/12/736684212.db2.gz KJRDFOLZUMBGSG-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007686416 736684213 /nfs/dbraw/zinc/68/42/13/736684213.db2.gz KJRDFOLZUMBGSG-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033590472 736811526 /nfs/dbraw/zinc/81/15/26/736811526.db2.gz QPNURKNNMUIHPV-ZDUSSCGKSA-N 2 2 290.411 1.796 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033590472 736811528 /nfs/dbraw/zinc/81/15/28/736811528.db2.gz QPNURKNNMUIHPV-ZDUSSCGKSA-N 2 2 290.411 1.796 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC000995922009 736893209 /nfs/dbraw/zinc/89/32/09/736893209.db2.gz ILSMDOCVIIGWLY-YRGRVCCFSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC000995922009 736893211 /nfs/dbraw/zinc/89/32/11/736893211.db2.gz ILSMDOCVIIGWLY-YRGRVCCFSA-N 2 2 288.395 1.526 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989735850 738947925 /nfs/dbraw/zinc/94/79/25/738947925.db2.gz IITYCYNBNHRENP-UONOGXRCSA-N 2 2 290.411 1.508 20 30 CDEDLP N#Cc1csc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000250749462 737270645 /nfs/dbraw/zinc/27/06/45/737270645.db2.gz CGNQQRSSBYAGTJ-QWHCGFSZSA-N 2 2 277.393 1.573 20 30 CDEDLP N#Cc1csc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000250749462 737270655 /nfs/dbraw/zinc/27/06/55/737270655.db2.gz CGNQQRSSBYAGTJ-QWHCGFSZSA-N 2 2 277.393 1.573 20 30 CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001019203523 737281320 /nfs/dbraw/zinc/28/13/20/737281320.db2.gz UYIWEMMNNWTUOY-HNNXBMFYSA-N 2 2 294.358 1.310 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749438 737418671 /nfs/dbraw/zinc/41/86/71/737418671.db2.gz CLWQLUWJSMWWAN-LSDHHAIUSA-N 2 2 288.395 1.594 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049749438 737418687 /nfs/dbraw/zinc/41/86/87/737418687.db2.gz CLWQLUWJSMWWAN-LSDHHAIUSA-N 2 2 288.395 1.594 20 30 CDEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000305110886 738080737 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CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210051082 940659557 /nfs/dbraw/zinc/65/95/57/940659557.db2.gz GSOKWYZABKHDRQ-KGLIPLIRSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051082 940659561 /nfs/dbraw/zinc/65/95/61/940659561.db2.gz GSOKWYZABKHDRQ-KGLIPLIRSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305414 940681592 /nfs/dbraw/zinc/68/15/92/940681592.db2.gz XLQRCGQFZWHKHI-ZDUSSCGKSA-N 2 2 276.384 1.499 20 30 CDEDLP N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]([NH3+])CC[NH3+])nc1 ZINC001219422910 941343274 /nfs/dbraw/zinc/34/32/74/941343274.db2.gz SEBFTWJLLDNQQL-ZDUSSCGKSA-N 2 2 295.346 1.235 20 30 CDEDLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2=CC(=O)CCC2)cc1 ZINC001219885123 941393477 /nfs/dbraw/zinc/39/34/77/941393477.db2.gz IDSMUJBDBIIFKN-AWEZNQCLSA-N 2 2 273.336 1.012 20 30 CDEDLP CC#CC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001225286365 941839356 /nfs/dbraw/zinc/83/93/56/941839356.db2.gz VVYQMVKGHPUUCE-UHFFFAOYSA-N 2 2 288.395 1.112 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001230434732 942620052 /nfs/dbraw/zinc/62/00/52/942620052.db2.gz SKEFXSIYGXTNJC-UHFFFAOYSA-N 2 2 290.411 1.820 20 30 CDEDLP C=CCOc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235053444 944028257 /nfs/dbraw/zinc/02/82/57/944028257.db2.gz SQGNHPPNUJROQQ-KRWDZBQOSA-N 2 2 287.407 1.389 20 30 CDEDLP C=CCOc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235053444 944028266 /nfs/dbraw/zinc/02/82/66/944028266.db2.gz SQGNHPPNUJROQQ-KRWDZBQOSA-N 2 2 287.407 1.389 20 30 CDEDLP N#CCC[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001277939469 944134328 /nfs/dbraw/zinc/13/43/28/944134328.db2.gz TVJHGWUFDSOHKX-UHFFFAOYSA-N 2 2 273.384 1.195 20 30 CDEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CC[NH3+])C2 ZINC001235523847 944185907 /nfs/dbraw/zinc/18/59/07/944185907.db2.gz ZECLRDGMWJDKKD-ZIAGYGMSSA-N 2 2 254.374 1.019 20 30 CDEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC[NH3+])C2 ZINC001235523847 944185910 /nfs/dbraw/zinc/18/59/10/944185910.db2.gz ZECLRDGMWJDKKD-ZIAGYGMSSA-N 2 2 254.374 1.019 20 30 CDEDLP C=C/C(=[NH+]\COC)c1ccc(N2CC[NH+](C)CC2)nc1 ZINC001235968002 944338357 /nfs/dbraw/zinc/33/83/57/944338357.db2.gz KQBWJHWHLROBOG-SAPNQHFASA-N 2 2 274.368 1.412 20 30 CDEDLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001255954869 948137685 /nfs/dbraw/zinc/13/76/85/948137685.db2.gz JPKBHGOMZIUNTD-STQMWFEESA-N 2 2 273.421 1.617 20 30 CDEDLP C=CC[C@H]([NH2+]C1CCC([NH+]2CCOCC2)CC1)C(=O)OC ZINC001256686759 948396097 /nfs/dbraw/zinc/39/60/97/948396097.db2.gz UMUFPZVFSFELRM-NRXISQOPSA-N 2 2 296.411 1.337 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256915372 948455360 /nfs/dbraw/zinc/45/53/60/948455360.db2.gz VHGTYTWPRMFFAY-HUUCEWRRSA-N 2 2 262.401 1.191 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256915372 948455368 /nfs/dbraw/zinc/45/53/68/948455368.db2.gz VHGTYTWPRMFFAY-HUUCEWRRSA-N 2 2 262.401 1.191 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001253406583 951889055 /nfs/dbraw/zinc/88/90/55/951889055.db2.gz QSYQYMBLXOZYEJ-ZDUSSCGKSA-N 2 2 279.359 1.536 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CCc1[nH+]ccn1C ZINC001419223200 961521679 /nfs/dbraw/zinc/52/16/79/961521679.db2.gz RMHKUISFDBAVOY-GFCCVEGCSA-N 2 2 298.818 1.590 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001419805160 962117622 /nfs/dbraw/zinc/11/76/22/962117622.db2.gz KJXBOULQNRFUFZ-NSHDSACASA-N 2 2 284.791 1.200 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001341662780 963502081 /nfs/dbraw/zinc/50/20/81/963502081.db2.gz NMGGQZSBYFVRQW-AWEZNQCLSA-N 2 2 290.411 1.562 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001357369314 969577087 /nfs/dbraw/zinc/57/70/87/969577087.db2.gz VXHQXRJVHHICRR-STQMWFEESA-N 2 2 264.373 1.319 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001378115481 975248588 /nfs/dbraw/zinc/24/85/88/975248588.db2.gz NZFXDPWIXILVHC-VXGBXAGGSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001378115481 975248592 /nfs/dbraw/zinc/24/85/92/975248592.db2.gz NZFXDPWIXILVHC-VXGBXAGGSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001378115481 975248597 /nfs/dbraw/zinc/24/85/97/975248597.db2.gz NZFXDPWIXILVHC-VXGBXAGGSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001378115481 975248603 /nfs/dbraw/zinc/24/86/03/975248603.db2.gz NZFXDPWIXILVHC-VXGBXAGGSA-N 2 2 273.808 1.270 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001405686698 975818948 /nfs/dbraw/zinc/81/89/48/975818948.db2.gz JQTAASRMFJPDGT-NSHDSACASA-N 2 2 298.818 1.447 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001403336781 976878657 /nfs/dbraw/zinc/87/86/57/976878657.db2.gz UKEVFPWRRZSVKV-LBPRGKRZSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001403336781 976878660 /nfs/dbraw/zinc/87/86/60/976878660.db2.gz UKEVFPWRRZSVKV-LBPRGKRZSA-N 2 2 287.835 1.517 20 30 CDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133195130 1163602756 /nfs/dbraw/zinc/60/27/56/1163602756.db2.gz OMAIOLQRQFMWKH-UONOGXRCSA-N 2 2 288.395 1.050 20 30 CDEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000591764405 342645727 /nfs/dbraw/zinc/64/57/27/342645727.db2.gz MCYJHVNSWNWXGW-MRXNPFEDSA-N 2 2 287.407 1.763 20 30 CDEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000591764405 342645728 /nfs/dbraw/zinc/64/57/28/342645728.db2.gz MCYJHVNSWNWXGW-MRXNPFEDSA-N 2 2 287.407 1.763 20 30 CDEDLP N#Cc1csc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594994446 342994812 /nfs/dbraw/zinc/99/48/12/342994812.db2.gz VYDSPGYEFUICLX-CQSZACIVSA-N 2 2 291.420 1.963 20 30 CDEDLP C[C@H](CCC#N)CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000602522221 344452915 /nfs/dbraw/zinc/45/29/15/344452915.db2.gz RRUOSMMKGGIEPT-CQSZACIVSA-N 2 2 287.411 1.607 20 30 CDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264092761 362965943 /nfs/dbraw/zinc/96/59/43/362965943.db2.gz LJKQOHWDXWJTNZ-UHFFFAOYSA-N 2 2 278.400 1.608 20 30 CDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264092761 362965946 /nfs/dbraw/zinc/96/59/46/362965946.db2.gz LJKQOHWDXWJTNZ-UHFFFAOYSA-N 2 2 278.400 1.608 20 30 CDEDLP CC(C)(CNC(=[NH2+])Nc1ccccc1)[NH+]1CCOCC1 ZINC000264128629 362974086 /nfs/dbraw/zinc/97/40/86/362974086.db2.gz SUZPHWDHCSYGMO-UHFFFAOYSA-N 2 2 276.384 1.524 20 30 CDEDLP CSc1ccc(C[NH2+][C@H](C)[C@H]2C[NH2+]CCO2)cc1C#N ZINC001579387849 1172164680 /nfs/dbraw/zinc/16/46/80/1172164680.db2.gz HGXYNMJOKKQNBY-BXUZGUMPSA-N 2 2 291.420 1.747 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000337207344 360039944 /nfs/dbraw/zinc/03/99/44/360039944.db2.gz OKRFHUFQGVFQRH-KGLIPLIRSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000337207344 360039945 /nfs/dbraw/zinc/03/99/45/360039945.db2.gz OKRFHUFQGVFQRH-KGLIPLIRSA-N 2 2 265.401 1.189 20 30 CDEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)s1 ZINC000176954232 189017037 /nfs/dbraw/zinc/01/70/37/189017037.db2.gz DEOIMDDXCNRKTJ-UHFFFAOYSA-N 2 2 279.409 1.556 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000314978843 360425193 /nfs/dbraw/zinc/42/51/93/360425193.db2.gz QBUBTTCHXPVXNC-LLVKDONJSA-N 2 2 295.408 1.535 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000314978843 360425199 /nfs/dbraw/zinc/42/51/99/360425199.db2.gz QBUBTTCHXPVXNC-LLVKDONJSA-N 2 2 295.408 1.535 20 30 CDEDLP C=CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CC ZINC000516532359 360609643 /nfs/dbraw/zinc/60/96/43/360609643.db2.gz RNLRLFWSHZGPDL-INIZCTEOSA-N 2 2 262.397 1.987 20 30 CDEDLP C=CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)CC ZINC000516532359 360609648 /nfs/dbraw/zinc/60/96/48/360609648.db2.gz RNLRLFWSHZGPDL-INIZCTEOSA-N 2 2 262.397 1.987 20 30 CDEDLP C=CC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)CC ZINC000516532359 360609651 /nfs/dbraw/zinc/60/96/51/360609651.db2.gz RNLRLFWSHZGPDL-INIZCTEOSA-N 2 2 262.397 1.987 20 30 CDEDLP C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)CC ZINC000516532359 360609656 /nfs/dbraw/zinc/60/96/56/360609656.db2.gz RNLRLFWSHZGPDL-INIZCTEOSA-N 2 2 262.397 1.987 20 30 CDEDLP C=CCOCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000338992448 361182196 /nfs/dbraw/zinc/18/21/96/361182196.db2.gz JKFBNKPAACODJU-HNNXBMFYSA-N 2 2 268.401 1.233 20 30 CDEDLP C=CCOCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000338992448 361182199 /nfs/dbraw/zinc/18/21/99/361182199.db2.gz JKFBNKPAACODJU-HNNXBMFYSA-N 2 2 268.401 1.233 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nn1 ZINC000644166557 364083955 /nfs/dbraw/zinc/08/39/55/364083955.db2.gz ZYIUNMWKTNBSKD-SOUVJXGZSA-N 2 2 275.400 1.474 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860951 369470306 /nfs/dbraw/zinc/47/03/06/369470306.db2.gz LHUGMXBTYOVMPS-HNNXBMFYSA-N 2 2 294.443 1.555 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860951 369470311 /nfs/dbraw/zinc/47/03/11/369470311.db2.gz LHUGMXBTYOVMPS-HNNXBMFYSA-N 2 2 294.443 1.555 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860951 369470315 /nfs/dbraw/zinc/47/03/15/369470315.db2.gz LHUGMXBTYOVMPS-HNNXBMFYSA-N 2 2 294.443 1.555 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860951 369470323 /nfs/dbraw/zinc/47/03/23/369470323.db2.gz LHUGMXBTYOVMPS-HNNXBMFYSA-N 2 2 294.443 1.555 20 30 CDEDLP C[C@H](CNC[C@@H](O)C[N@H+](C)CCC#N)[NH+]1CCCC[C@H]1C ZINC000565703922 370511866 /nfs/dbraw/zinc/51/18/66/370511866.db2.gz GDRLVAWWKWOZRW-BZUAXINKSA-N 2 2 296.459 1.045 20 30 CDEDLP C[C@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)[NH+]1CCCC[C@H]1C ZINC000565703922 370511872 /nfs/dbraw/zinc/51/18/72/370511872.db2.gz GDRLVAWWKWOZRW-BZUAXINKSA-N 2 2 296.459 1.045 20 30 CDEDLP C[C@H](CNC[C@@H](O)C[NH+](C)CCC#N)[N@@H+]1CCCC[C@H]1C ZINC000565703922 370511878 /nfs/dbraw/zinc/51/18/78/370511878.db2.gz GDRLVAWWKWOZRW-BZUAXINKSA-N 2 2 296.459 1.045 20 30 CDEDLP C[C@H](CNC[C@@H](O)C[NH+](C)CCC#N)[N@H+]1CCCC[C@H]1C ZINC000565703922 370511883 /nfs/dbraw/zinc/51/18/83/370511883.db2.gz GDRLVAWWKWOZRW-BZUAXINKSA-N 2 2 296.459 1.045 20 30 CDEDLP COC[C@@]1(C[NH2+]Cc2cccc(C#N)c2)CCC[NH2+]1 ZINC000517033409 374191212 /nfs/dbraw/zinc/19/12/12/374191212.db2.gz JPOQBRANHKSOPL-HNNXBMFYSA-N 2 2 259.353 1.416 20 30 CDEDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(C#N)cc1F ZINC000423500893 374384950 /nfs/dbraw/zinc/38/49/50/374384950.db2.gz DFMALZMHVXCZSK-DGCLKSJQSA-N 2 2 276.359 1.252 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C#N ZINC000293735813 374550538 /nfs/dbraw/zinc/55/05/38/374550538.db2.gz VEXPHGCPUGYVKS-INIZCTEOSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C#N ZINC000293735813 374550547 /nfs/dbraw/zinc/55/05/47/374550547.db2.gz VEXPHGCPUGYVKS-INIZCTEOSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C#N ZINC000293735813 374550553 /nfs/dbraw/zinc/55/05/53/374550553.db2.gz VEXPHGCPUGYVKS-INIZCTEOSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C#N ZINC000293735813 374550560 /nfs/dbraw/zinc/55/05/60/374550560.db2.gz VEXPHGCPUGYVKS-INIZCTEOSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C#N ZINC000293735817 374557640 /nfs/dbraw/zinc/55/76/40/374557640.db2.gz VEXPHGCPUGYVKS-MRXNPFEDSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C#N ZINC000293735817 374557643 /nfs/dbraw/zinc/55/76/43/374557643.db2.gz VEXPHGCPUGYVKS-MRXNPFEDSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C#N ZINC000293735817 374557651 /nfs/dbraw/zinc/55/76/51/374557651.db2.gz VEXPHGCPUGYVKS-MRXNPFEDSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C#N ZINC000293735817 374557655 /nfs/dbraw/zinc/55/76/55/374557655.db2.gz VEXPHGCPUGYVKS-MRXNPFEDSA-N 2 2 272.396 1.814 20 30 CDEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000163587785 375743613 /nfs/dbraw/zinc/74/36/13/375743613.db2.gz LJYXISRSTIWQAC-STQMWFEESA-N 2 2 261.756 1.863 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000058404825 375752086 /nfs/dbraw/zinc/75/20/86/375752086.db2.gz JMBKMCGNKWBVHP-ZDUSSCGKSA-N 2 2 264.348 1.519 20 30 CDEDLP C[N@@H+]1CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000328609798 375893110 /nfs/dbraw/zinc/89/31/10/375893110.db2.gz NCVGTRBZYDRIQB-CYBMUJFWSA-N 2 2 291.399 1.312 20 30 CDEDLP C[N@H+]1CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000328609798 375893114 /nfs/dbraw/zinc/89/31/14/375893114.db2.gz NCVGTRBZYDRIQB-CYBMUJFWSA-N 2 2 291.399 1.312 20 30 CDEDLP CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000328809995 375961781 /nfs/dbraw/zinc/96/17/81/375961781.db2.gz FBUIHDRUAYUBFQ-LBPRGKRZSA-N 2 2 264.373 1.794 20 30 CDEDLP CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000328809995 375961789 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CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015780380 741675703 /nfs/dbraw/zinc/67/57/03/741675703.db2.gz CQYWLTGOOSWKCO-CQSZACIVSA-N 2 2 288.395 1.220 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015780380 741675706 /nfs/dbraw/zinc/67/57/06/741675706.db2.gz CQYWLTGOOSWKCO-CQSZACIVSA-N 2 2 288.395 1.220 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009200950 741790266 /nfs/dbraw/zinc/79/02/66/741790266.db2.gz IVRYIVJUPWYCDS-UONOGXRCSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009200950 741790275 /nfs/dbraw/zinc/79/02/75/741790275.db2.gz IVRYIVJUPWYCDS-UONOGXRCSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009200950 741790283 /nfs/dbraw/zinc/79/02/83/741790283.db2.gz IVRYIVJUPWYCDS-UONOGXRCSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009200950 741790293 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C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027792758 742301008 /nfs/dbraw/zinc/30/10/08/742301008.db2.gz VKNDAPAMTXRPRV-CHWSQXEVSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792758 742301015 /nfs/dbraw/zinc/30/10/15/742301015.db2.gz VKNDAPAMTXRPRV-CHWSQXEVSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792758 742301022 /nfs/dbraw/zinc/30/10/22/742301022.db2.gz VKNDAPAMTXRPRV-CHWSQXEVSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Br)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877019878 742419138 /nfs/dbraw/zinc/41/91/38/742419138.db2.gz HDRWJLAGARWHQG-UHFFFAOYSA-N 2 2 291.233 1.720 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001044686453 739383114 /nfs/dbraw/zinc/38/31/14/739383114.db2.gz VSMSKCZSUNNFCN-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCCCCC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000793522175 739428843 /nfs/dbraw/zinc/42/88/43/739428843.db2.gz 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C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027973289 740918196 /nfs/dbraw/zinc/91/81/96/740918196.db2.gz NYLRXHWIYISJPE-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001036276142 741174991 /nfs/dbraw/zinc/17/49/91/741174991.db2.gz RBXQNLSEUZNCIL-DGCLKSJQSA-N 2 2 276.384 1.273 20 30 CDEDLP C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@H]1CCC[NH2+]1 ZINC000817920055 741233833 /nfs/dbraw/zinc/23/38/33/741233833.db2.gz ZWZTWNBOVIQQKF-SWLSCSKDSA-N 2 2 259.353 1.819 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001018269166 741572586 /nfs/dbraw/zinc/57/25/86/741572586.db2.gz GMJQIJZMSJPSLI-OKILXGFUSA-N 2 2 274.368 1.053 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001018269166 741572590 /nfs/dbraw/zinc/57/25/90/741572590.db2.gz GMJQIJZMSJPSLI-OKILXGFUSA-N 2 2 274.368 1.053 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000883131112 742124732 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/nfs/dbraw/zinc/09/88/54/342098854.db2.gz GEKQJGQWPRQUQY-UONOGXRCSA-N 2 2 289.383 1.281 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257813 342098855 /nfs/dbraw/zinc/09/88/55/342098855.db2.gz GEKQJGQWPRQUQY-UONOGXRCSA-N 2 2 289.383 1.281 20 30 CDEDLP C=CCCOCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000138635739 361884979 /nfs/dbraw/zinc/88/49/79/361884979.db2.gz FTNDTLFQRUOSER-UHFFFAOYSA-N 2 2 297.443 1.064 20 30 CDEDLP C=CCCOCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000138635739 361884987 /nfs/dbraw/zinc/88/49/87/361884987.db2.gz FTNDTLFQRUOSER-UHFFFAOYSA-N 2 2 297.443 1.064 20 30 CDEDLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1)C1CC1 ZINC000290066050 361987230 /nfs/dbraw/zinc/98/72/30/361987230.db2.gz TUZCWAVWBVLXJN-INIZCTEOSA-N 2 2 273.380 1.445 20 30 CDEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290066050 361987234 /nfs/dbraw/zinc/98/72/34/361987234.db2.gz TUZCWAVWBVLXJN-INIZCTEOSA-N 2 2 273.380 1.445 20 30 CDEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290066050 361987238 /nfs/dbraw/zinc/98/72/38/361987238.db2.gz TUZCWAVWBVLXJN-INIZCTEOSA-N 2 2 273.380 1.445 20 30 CDEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000615224343 348397789 /nfs/dbraw/zinc/39/77/89/348397789.db2.gz KJTKPSBVUZUOGR-CYBMUJFWSA-N 2 2 287.367 1.082 20 30 CDEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000615224343 348397790 /nfs/dbraw/zinc/39/77/90/348397790.db2.gz KJTKPSBVUZUOGR-CYBMUJFWSA-N 2 2 287.367 1.082 20 30 CDEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001579188734 1172112354 /nfs/dbraw/zinc/11/23/54/1172112354.db2.gz ODILBCAUVDUNKX-ZIAGYGMSSA-N 2 2 259.353 1.926 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000264328866 363034226 /nfs/dbraw/zinc/03/42/26/363034226.db2.gz ZLQBOWUEOGFKLK-GFCCVEGCSA-N 2 2 279.388 1.213 20 30 CDEDLP N#Cc1csc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000344220679 356964780 /nfs/dbraw/zinc/96/47/80/356964780.db2.gz USVXSXSUTGGPFQ-CYBMUJFWSA-N 2 2 292.408 1.049 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246134093 360796982 /nfs/dbraw/zinc/79/69/82/360796982.db2.gz CEQAASNIQGZGEG-GJZGRUSLSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246134093 360796988 /nfs/dbraw/zinc/79/69/88/360796988.db2.gz CEQAASNIQGZGEG-GJZGRUSLSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000329662514 361674432 /nfs/dbraw/zinc/67/44/32/361674432.db2.gz OWYBRQSENSNXNW-VXGBXAGGSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000329662514 361674434 /nfs/dbraw/zinc/67/44/34/361674434.db2.gz OWYBRQSENSNXNW-VXGBXAGGSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@@H]1C[C@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000329662514 361674437 /nfs/dbraw/zinc/67/44/37/361674437.db2.gz OWYBRQSENSNXNW-VXGBXAGGSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@@H]1C[C@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000329662514 361674439 /nfs/dbraw/zinc/67/44/39/361674439.db2.gz OWYBRQSENSNXNW-VXGBXAGGSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000076897576 374234838 /nfs/dbraw/zinc/23/48/38/374234838.db2.gz GXIHBISLXSLLPA-CQSZACIVSA-N 2 2 273.380 1.759 20 30 CDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986515 541960998 /nfs/dbraw/zinc/96/09/98/541960998.db2.gz VKRVIORXPPNSAH-HOTGVXAUSA-N 2 2 282.428 1.500 20 30 CDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986515 541961001 /nfs/dbraw/zinc/96/10/01/541961001.db2.gz VKRVIORXPPNSAH-HOTGVXAUSA-N 2 2 282.428 1.500 20 30 CDEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000328852549 375987181 /nfs/dbraw/zinc/98/71/81/375987181.db2.gz IVKFGQDTRMWHLR-LBPRGKRZSA-N 2 2 291.399 1.218 20 30 CDEDLP C#CCOc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000065274827 378500023 /nfs/dbraw/zinc/50/00/23/378500023.db2.gz DVJDTZYGYXZKFH-MRXNPFEDSA-N 2 2 288.391 1.245 20 30 CDEDLP C#CC[NH+](C)Cc1cc(C[N@H+](C)CC#C)ccc1F ZINC000296063598 378716001 /nfs/dbraw/zinc/71/60/01/378716001.db2.gz RHTUIOYOMNDASX-UHFFFAOYSA-N 2 2 258.340 1.956 20 30 CDEDLP C#CC[NH+](C)Cc1cc(C[N@@H+](C)CC#C)ccc1F ZINC000296063598 378716006 /nfs/dbraw/zinc/71/60/06/378716006.db2.gz RHTUIOYOMNDASX-UHFFFAOYSA-N 2 2 258.340 1.956 20 30 CDEDLP C#CC[NH+](C)Cc1ccc(F)c(C[N@H+](C)CC#C)c1 ZINC000296063598 378716013 /nfs/dbraw/zinc/71/60/13/378716013.db2.gz RHTUIOYOMNDASX-UHFFFAOYSA-N 2 2 258.340 1.956 20 30 CDEDLP C#CC[NH+](C)Cc1ccc(F)c(C[N@@H+](C)CC#C)c1 ZINC000296063598 378716020 /nfs/dbraw/zinc/71/60/20/378716020.db2.gz RHTUIOYOMNDASX-UHFFFAOYSA-N 2 2 258.340 1.956 20 30 CDEDLP C[N@H+]([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](CCO)CC1 ZINC000338975467 391236876 /nfs/dbraw/zinc/23/68/76/391236876.db2.gz SRFLVZDYHQGKOW-OCCSQVGLSA-N 2 2 251.374 1.067 20 30 CDEDLP C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](CCO)CC1 ZINC000338975467 391236878 /nfs/dbraw/zinc/23/68/78/391236878.db2.gz SRFLVZDYHQGKOW-OCCSQVGLSA-N 2 2 251.374 1.067 20 30 CDEDLP CN(C)c1ccc(C(N)=[NH+]OCc2c[nH+]cn2C)cc1 ZINC000267759476 391204255 /nfs/dbraw/zinc/20/42/55/391204255.db2.gz JAURJTSFOOOQBU-UHFFFAOYSA-N 2 2 273.340 1.323 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354224050 391411106 /nfs/dbraw/zinc/41/11/06/391411106.db2.gz PMTCJRNJCIQRDQ-HZPDHXFCSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354224050 391411109 /nfs/dbraw/zinc/41/11/09/391411109.db2.gz PMTCJRNJCIQRDQ-HZPDHXFCSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354224050 391411111 /nfs/dbraw/zinc/41/11/11/391411111.db2.gz PMTCJRNJCIQRDQ-HZPDHXFCSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354224050 391411113 /nfs/dbraw/zinc/41/11/13/391411113.db2.gz PMTCJRNJCIQRDQ-HZPDHXFCSA-N 2 2 293.455 1.992 20 30 CDEDLP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000328989226 391402935 /nfs/dbraw/zinc/40/29/35/391402935.db2.gz RTSDSLGGQZVHDM-LLVKDONJSA-N 2 2 282.413 1.585 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331491730 391817967 /nfs/dbraw/zinc/81/79/67/391817967.db2.gz ASMATGRKDPCMDC-ZBFHGGJFSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331491730 391817970 /nfs/dbraw/zinc/81/79/70/391817970.db2.gz ASMATGRKDPCMDC-ZBFHGGJFSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331491730 391817972 /nfs/dbraw/zinc/81/79/72/391817972.db2.gz ASMATGRKDPCMDC-ZBFHGGJFSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331491730 391817974 /nfs/dbraw/zinc/81/79/74/391817974.db2.gz ASMATGRKDPCMDC-ZBFHGGJFSA-N 2 2 292.427 1.165 20 30 CDEDLP CC[NH+]1CCN([C@@H](C)CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000425209457 392993498 /nfs/dbraw/zinc/99/34/98/392993498.db2.gz RGPFHKTZTWSPPD-AWEZNQCLSA-N 2 2 287.411 1.122 20 30 CDEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C(C)(C)C ZINC000661759973 414341525 /nfs/dbraw/zinc/34/15/25/414341525.db2.gz NKCIDHZBHJVURL-CYBMUJFWSA-N 2 2 258.406 1.212 20 30 CDEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C(C)(C)C ZINC000661759973 414341529 /nfs/dbraw/zinc/34/15/29/414341529.db2.gz NKCIDHZBHJVURL-CYBMUJFWSA-N 2 2 258.406 1.212 20 30 CDEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C(C)(C)C ZINC000661759973 414341535 /nfs/dbraw/zinc/34/15/35/414341535.db2.gz NKCIDHZBHJVURL-CYBMUJFWSA-N 2 2 258.406 1.212 20 30 CDEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C(C)(C)C ZINC000661759973 414341540 /nfs/dbraw/zinc/34/15/40/414341540.db2.gz NKCIDHZBHJVURL-CYBMUJFWSA-N 2 2 258.406 1.212 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264110472 262872956 /nfs/dbraw/zinc/87/29/56/262872956.db2.gz OTTRPYMTNZKENV-FZMZJTMJSA-N 2 2 296.390 1.368 20 30 CDEDLP CN1CC[NH+]=C1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000285207699 263091214 /nfs/dbraw/zinc/09/12/14/263091214.db2.gz WNLMBFLUXQEUBT-UHFFFAOYSA-N 2 2 257.341 1.387 20 30 CDEDLP CC[NH+](CC)CCOCCNc1cc(C)[nH+]cc1C#N ZINC000425244508 276099834 /nfs/dbraw/zinc/09/98/34/276099834.db2.gz HNROAUVBEZLNFN-UHFFFAOYSA-N 2 2 276.384 1.454 20 30 CDEDLP N#Cc1ccc(OCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000583180264 325121911 /nfs/dbraw/zinc/12/19/11/325121911.db2.gz IIMJMWOICWRFBQ-UHFFFAOYSA-N 2 2 297.362 1.482 20 30 CDEDLP C=CC[N@@H+](CC[NH3+])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262965367 330037858 /nfs/dbraw/zinc/03/78/58/330037858.db2.gz LDPCCKNTUKLBJQ-LBPRGKRZSA-N 2 2 272.356 1.170 20 30 CDEDLP C=CC[N@H+](CC[NH3+])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262965367 330037859 /nfs/dbraw/zinc/03/78/59/330037859.db2.gz LDPCCKNTUKLBJQ-LBPRGKRZSA-N 2 2 272.356 1.170 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000491209475 332166261 /nfs/dbraw/zinc/16/62/61/332166261.db2.gz HSKKXZNTDFBJTP-UHFFFAOYSA-N 3 2 277.456 1.938 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000491209475 332166262 /nfs/dbraw/zinc/16/62/62/332166262.db2.gz HSKKXZNTDFBJTP-UHFFFAOYSA-N 3 2 277.456 1.938 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000491474649 332218122 /nfs/dbraw/zinc/21/81/22/332218122.db2.gz ORHXNRKRIDIKLT-QGZVFWFLSA-N 2 2 299.418 1.380 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000491474649 332218123 /nfs/dbraw/zinc/21/81/23/332218123.db2.gz ORHXNRKRIDIKLT-QGZVFWFLSA-N 2 2 299.418 1.380 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)CCOC ZINC000491516178 332227811 /nfs/dbraw/zinc/22/78/11/332227811.db2.gz RMMKUWDHIUMOQY-QGZVFWFLSA-N 2 2 290.407 1.061 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)CCOC ZINC000491516178 332227812 /nfs/dbraw/zinc/22/78/12/332227812.db2.gz RMMKUWDHIUMOQY-QGZVFWFLSA-N 2 2 290.407 1.061 20 30 CDEDLP C#CC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)CCOC ZINC000491516178 332227816 /nfs/dbraw/zinc/22/78/16/332227816.db2.gz RMMKUWDHIUMOQY-QGZVFWFLSA-N 2 2 290.407 1.061 20 30 CDEDLP C[NH+](C)[C@@]1(C[NH2+]C[C@H](C#N)CCC#N)CCSC1 ZINC000581603040 336110255 /nfs/dbraw/zinc/11/02/55/336110255.db2.gz HOTSWWQVYFRBDR-QWHCGFSZSA-N 2 2 266.414 1.457 20 30 CDEDLP CC#CC[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113679190 1162252963 /nfs/dbraw/zinc/25/29/63/1162252963.db2.gz HBODCNCFWMMXAO-UHFFFAOYSA-N 2 2 277.412 1.030 20 30 CDEDLP C[NH+](C)c1ccc(N2CCC(=[NH+]n3cnnc3)CC2)cc1 ZINC000741450791 576559242 /nfs/dbraw/zinc/55/92/42/576559242.db2.gz BALMULZNGNMXEX-UHFFFAOYSA-N 2 2 284.367 1.849 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000749652228 576956821 /nfs/dbraw/zinc/95/68/21/576956821.db2.gz FKKKPAIUEKOGEF-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000749652228 576956822 /nfs/dbraw/zinc/95/68/22/576956822.db2.gz FKKKPAIUEKOGEF-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947981263 613017156 /nfs/dbraw/zinc/01/71/56/613017156.db2.gz UOBHFQSUESBNLQ-GXTWGEPZSA-N 2 2 288.395 1.253 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947981263 613017158 /nfs/dbraw/zinc/01/71/58/613017158.db2.gz UOBHFQSUESBNLQ-GXTWGEPZSA-N 2 2 288.395 1.253 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000982081526 613153905 /nfs/dbraw/zinc/15/39/05/613153905.db2.gz UBWNFABPSABFFQ-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000982081526 613153907 /nfs/dbraw/zinc/15/39/07/613153907.db2.gz UBWNFABPSABFFQ-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982081526 613153908 /nfs/dbraw/zinc/15/39/08/613153908.db2.gz UBWNFABPSABFFQ-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982081526 613153910 /nfs/dbraw/zinc/15/39/10/613153910.db2.gz UBWNFABPSABFFQ-INIZCTEOSA-N 2 2 291.439 1.417 20 30 CDEDLP C=C(C)CC[NH+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000957472514 613258338 /nfs/dbraw/zinc/25/83/38/613258338.db2.gz DWHGGSMFTVCJNQ-UHFFFAOYSA-N 2 2 276.384 1.371 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977588148 613380952 /nfs/dbraw/zinc/38/09/52/613380952.db2.gz LZLFJDDFZSVDEL-STQMWFEESA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977588148 613380953 /nfs/dbraw/zinc/38/09/53/613380953.db2.gz LZLFJDDFZSVDEL-STQMWFEESA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588148 613380954 /nfs/dbraw/zinc/38/09/54/613380954.db2.gz LZLFJDDFZSVDEL-STQMWFEESA-N 2 2 299.846 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588148 613380955 /nfs/dbraw/zinc/38/09/55/613380955.db2.gz LZLFJDDFZSVDEL-STQMWFEESA-N 2 2 299.846 1.517 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971718647 613632080 /nfs/dbraw/zinc/63/20/80/613632080.db2.gz GUDRPPRAHRTXJY-YNEHKIRRSA-N 2 2 274.368 1.232 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971718647 613632082 /nfs/dbraw/zinc/63/20/82/613632082.db2.gz GUDRPPRAHRTXJY-YNEHKIRRSA-N 2 2 274.368 1.232 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000971718647 613632083 /nfs/dbraw/zinc/63/20/83/613632083.db2.gz GUDRPPRAHRTXJY-YNEHKIRRSA-N 2 2 274.368 1.232 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000971718647 613632085 /nfs/dbraw/zinc/63/20/85/613632085.db2.gz GUDRPPRAHRTXJY-YNEHKIRRSA-N 2 2 274.368 1.232 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000950336789 613655916 /nfs/dbraw/zinc/65/59/16/613655916.db2.gz XRYAXIGUGXHKIS-HNNXBMFYSA-N 2 2 277.412 1.047 20 30 CDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969675310 613672448 /nfs/dbraw/zinc/67/24/48/613672448.db2.gz SCIGQYOKRGJPEF-ZDUSSCGKSA-N 2 2 298.390 1.879 20 30 CDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000926501281 617913955 /nfs/dbraw/zinc/91/39/55/617913955.db2.gz JJHJQCUGCFLGGW-KGLIPLIRSA-N 2 2 267.417 1.751 20 30 CDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000926501281 617913962 /nfs/dbraw/zinc/91/39/62/617913962.db2.gz JJHJQCUGCFLGGW-KGLIPLIRSA-N 2 2 267.417 1.751 20 30 CDEDLP C=C(CC)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370561 618055970 /nfs/dbraw/zinc/05/59/70/618055970.db2.gz CWBZPMBHVHDNCG-AWEZNQCLSA-N 2 2 294.443 1.420 20 30 CDEDLP C=C(CC)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370561 618055976 /nfs/dbraw/zinc/05/59/76/618055976.db2.gz CWBZPMBHVHDNCG-AWEZNQCLSA-N 2 2 294.443 1.420 20 30 CDEDLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000903718070 626062776 /nfs/dbraw/zinc/06/27/76/626062776.db2.gz YZLDLXWNLNOIDM-KBPBESRZSA-N 2 2 265.401 1.899 20 30 CDEDLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000903718070 626062778 /nfs/dbraw/zinc/06/27/78/626062778.db2.gz YZLDLXWNLNOIDM-KBPBESRZSA-N 2 2 265.401 1.899 20 30 CDEDLP C#CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132543237 1163354670 /nfs/dbraw/zinc/35/46/70/1163354670.db2.gz XAMSSRKRZVNZOB-CABCVRRESA-N 2 2 288.395 1.266 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132543237 1163354674 /nfs/dbraw/zinc/35/46/74/1163354674.db2.gz XAMSSRKRZVNZOB-CABCVRRESA-N 2 2 288.395 1.266 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135578 1163579790 /nfs/dbraw/zinc/57/97/90/1163579790.db2.gz UHKNGOWWGZFRHT-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(C)c1 ZINC001588349139 1173047427 /nfs/dbraw/zinc/04/74/27/1173047427.db2.gz DOXKXABDPBOBGD-UHFFFAOYSA-N 2 2 298.394 1.220 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(C)c1 ZINC001588349139 1173047432 /nfs/dbraw/zinc/04/74/32/1173047432.db2.gz DOXKXABDPBOBGD-UHFFFAOYSA-N 2 2 298.394 1.220 20 30 CDEDLP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001752979871 1184982525 /nfs/dbraw/zinc/98/25/25/1184982525.db2.gz GYJSOGLHAXYSFV-UONOGXRCSA-N 2 2 290.411 1.854 20 30 CDEDLP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001753007945 1184993673 /nfs/dbraw/zinc/99/36/73/1184993673.db2.gz HPABERBOMSJVOC-MGPQQGTHSA-N 2 2 290.411 1.964 20 30 CDEDLP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001753007945 1184993679 /nfs/dbraw/zinc/99/36/79/1184993679.db2.gz HPABERBOMSJVOC-MGPQQGTHSA-N 2 2 290.411 1.964 20 30 CDEDLP C=CC[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001753298465 1185146534 /nfs/dbraw/zinc/14/65/34/1185146534.db2.gz IDYFFTCWXXGHGZ-INIZCTEOSA-N 2 2 298.390 1.975 20 30 CDEDLP C=C(C)C[NH2+][C@H](CC)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753487880 1185233027 /nfs/dbraw/zinc/23/30/27/1185233027.db2.gz KLBFHODERLEWHA-ZIAGYGMSSA-N 2 2 278.400 1.895 20 30 CDEDLP C=C(C)C[NH2+]C[C@@](C)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001753523007 1185246670 /nfs/dbraw/zinc/24/66/70/1185246670.db2.gz WXKLOFHRLUSCNB-MRXNPFEDSA-N 2 2 290.411 1.793 20 30 CDEDLP C=C(C)C[NH2+]C[C@@](C)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001753523007 1185246676 /nfs/dbraw/zinc/24/66/76/1185246676.db2.gz WXKLOFHRLUSCNB-MRXNPFEDSA-N 2 2 290.411 1.793 20 30 CDEDLP C=CC[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001753841338 1185352842 /nfs/dbraw/zinc/35/28/42/1185352842.db2.gz XJHHBVUZHVIBGG-KGLIPLIRSA-N 2 2 278.400 1.751 20 30 CDEDLP C=CC[NH2+]C/C=C\CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001754137042 1185480586 /nfs/dbraw/zinc/48/05/86/1185480586.db2.gz BCEOIPLCISDQBF-SREVYHEPSA-N 2 2 276.384 1.375 20 30 CDEDLP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001754805516 1185736178 /nfs/dbraw/zinc/73/61/78/1185736178.db2.gz QVBYIUHAAJWQJV-OCCSQVGLSA-N 2 2 288.395 1.111 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001755668872 1186030762 /nfs/dbraw/zinc/03/07/62/1186030762.db2.gz HDGSUVSOPIDGTQ-KGLIPLIRSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001755748183 1186055865 /nfs/dbraw/zinc/05/58/65/1186055865.db2.gz RSMFHXZHGRFQBO-KBPBESRZSA-N 2 2 290.411 1.711 20 30 CDEDLP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001755826778 1186081911 /nfs/dbraw/zinc/08/19/11/1186081911.db2.gz XTGKUBYYHCDUQR-YRGRVCCFSA-N 2 2 290.411 1.820 20 30 CDEDLP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001755826778 1186081914 /nfs/dbraw/zinc/08/19/14/1186081914.db2.gz XTGKUBYYHCDUQR-YRGRVCCFSA-N 2 2 290.411 1.820 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404139814 1186509873 /nfs/dbraw/zinc/50/98/73/1186509873.db2.gz ZRQCZFHHTIOLIJ-AWEZNQCLSA-N 2 2 279.359 1.490 20 30 CDEDLP C=C(C)CC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003971452 743203584 /nfs/dbraw/zinc/20/35/84/743203584.db2.gz PKRVHKGVTIEJFZ-UHFFFAOYSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)CNC(=S)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000066007502 743330134 /nfs/dbraw/zinc/33/01/34/743330134.db2.gz XRNNTLXTYGZZRQ-UHFFFAOYSA-N 2 2 298.500 1.395 20 30 CDEDLP C=C(C)CNC(=S)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000066007502 743330145 /nfs/dbraw/zinc/33/01/45/743330145.db2.gz XRNNTLXTYGZZRQ-UHFFFAOYSA-N 2 2 298.500 1.395 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000931223441 743439985 /nfs/dbraw/zinc/43/99/85/743439985.db2.gz SMJPHHRWSQLHLO-UHFFFAOYSA-N 2 2 285.351 1.411 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000931223441 743440010 /nfs/dbraw/zinc/44/00/10/743440010.db2.gz SMJPHHRWSQLHLO-UHFFFAOYSA-N 2 2 285.351 1.411 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038252598 743565979 /nfs/dbraw/zinc/56/59/79/743565979.db2.gz JPAXQKQDQPYHOT-OAHLLOKOSA-N 2 2 296.374 1.470 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038252598 743566014 /nfs/dbraw/zinc/56/60/14/743566014.db2.gz JPAXQKQDQPYHOT-OAHLLOKOSA-N 2 2 296.374 1.470 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027970348 743597146 /nfs/dbraw/zinc/59/71/46/743597146.db2.gz ARWOGUGWWUZRFU-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027970348 743597200 /nfs/dbraw/zinc/59/72/00/743597200.db2.gz ARWOGUGWWUZRFU-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001027970348 743597211 /nfs/dbraw/zinc/59/72/11/743597211.db2.gz ARWOGUGWWUZRFU-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027970348 743597227 /nfs/dbraw/zinc/59/72/27/743597227.db2.gz ARWOGUGWWUZRFU-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000775571192 745235650 /nfs/dbraw/zinc/23/56/50/745235650.db2.gz CDSLMPJZXWKZEL-HZPDHXFCSA-N 2 2 285.391 1.821 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015994812 745462118 /nfs/dbraw/zinc/46/21/18/745462118.db2.gz MQIHMFGXYCYFKG-STQMWFEESA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015994812 745462130 /nfs/dbraw/zinc/46/21/30/745462130.db2.gz MQIHMFGXYCYFKG-STQMWFEESA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015994812 745462137 /nfs/dbraw/zinc/46/21/37/745462137.db2.gz MQIHMFGXYCYFKG-STQMWFEESA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015994812 745462147 /nfs/dbraw/zinc/46/21/47/745462147.db2.gz MQIHMFGXYCYFKG-STQMWFEESA-N 2 2 285.819 1.271 20 30 CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001036107915 745531487 /nfs/dbraw/zinc/53/14/87/745531487.db2.gz WXBBCNVFIAVHRB-KGLIPLIRSA-N 2 2 296.374 1.408 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001031440521 745588752 /nfs/dbraw/zinc/58/87/52/745588752.db2.gz ZGLUEGSERQFAPB-CQSZACIVSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001031440521 745588760 /nfs/dbraw/zinc/58/87/60/745588760.db2.gz ZGLUEGSERQFAPB-CQSZACIVSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008584168 745626327 /nfs/dbraw/zinc/62/63/27/745626327.db2.gz UMBWPCQIQMKHGG-MGPQQGTHSA-N 2 2 288.395 1.290 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008584168 745626348 /nfs/dbraw/zinc/62/63/48/745626348.db2.gz UMBWPCQIQMKHGG-MGPQQGTHSA-N 2 2 288.395 1.290 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446528 745774074 /nfs/dbraw/zinc/77/40/74/745774074.db2.gz IYVTVRUAMGKGND-UONOGXRCSA-N 2 2 288.395 1.594 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446528 745774078 /nfs/dbraw/zinc/77/40/78/745774078.db2.gz IYVTVRUAMGKGND-UONOGXRCSA-N 2 2 288.395 1.594 20 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/nfs/dbraw/zinc/84/44/66/911844466.db2.gz JRZBHLBQKLBLHD-OCCSQVGLSA-N 2 2 265.307 1.959 20 30 CDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1ccccc1C ZINC000170913525 912127109 /nfs/dbraw/zinc/12/71/09/912127109.db2.gz FPNFGXPWFXBMPU-UHFFFAOYSA-N 2 2 264.373 1.300 20 30 CDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1ccccc1C ZINC000170913525 912127130 /nfs/dbraw/zinc/12/71/30/912127130.db2.gz FPNFGXPWFXBMPU-UHFFFAOYSA-N 2 2 264.373 1.300 20 30 CDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179688549 915926669 /nfs/dbraw/zinc/92/66/69/915926669.db2.gz BKJSRDDNJHXBMQ-YDHLFZDLSA-N 2 2 288.395 1.191 20 30 CDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179688549 915926683 /nfs/dbraw/zinc/92/66/83/915926683.db2.gz BKJSRDDNJHXBMQ-YDHLFZDLSA-N 2 2 288.395 1.191 20 30 CDEDLP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001254648266 936433601 /nfs/dbraw/zinc/43/36/01/936433601.db2.gz HBAABEVTYLUTND-ARFHVFGLSA-N 2 2 277.412 1.769 20 30 CDEDLP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001254648266 936433602 /nfs/dbraw/zinc/43/36/02/936433602.db2.gz HBAABEVTYLUTND-ARFHVFGLSA-N 2 2 277.412 1.769 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078733805 920420431 /nfs/dbraw/zinc/42/04/31/920420431.db2.gz MFIMUMSWPAYONK-KBPBESRZSA-N 2 2 288.395 1.545 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188353764 921008887 /nfs/dbraw/zinc/00/88/87/921008887.db2.gz KCYVTDSLJSOHBH-CYBMUJFWSA-N 2 2 262.357 1.040 20 30 CDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190935705 922290346 /nfs/dbraw/zinc/29/03/46/922290346.db2.gz VFFLNKZHLYRDFD-AWEZNQCLSA-N 2 2 296.374 1.733 20 30 CDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190935705 922290359 /nfs/dbraw/zinc/29/03/59/922290359.db2.gz VFFLNKZHLYRDFD-AWEZNQCLSA-N 2 2 296.374 1.733 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085930054 926521877 /nfs/dbraw/zinc/52/18/77/926521877.db2.gz MSXYIKJXLWHBKR-CYBMUJFWSA-N 2 2 288.395 1.480 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085930054 926521881 /nfs/dbraw/zinc/52/18/81/926521881.db2.gz MSXYIKJXLWHBKR-CYBMUJFWSA-N 2 2 288.395 1.480 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085986867 926567400 /nfs/dbraw/zinc/56/74/00/926567400.db2.gz OOYIRDLVTRQWCG-CABCVRRESA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001085986867 926567416 /nfs/dbraw/zinc/56/74/16/926567416.db2.gz OOYIRDLVTRQWCG-CABCVRRESA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001085986867 926567427 /nfs/dbraw/zinc/56/74/27/926567427.db2.gz OOYIRDLVTRQWCG-CABCVRRESA-N 2 2 277.412 1.027 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085988267 926572306 /nfs/dbraw/zinc/57/23/06/926572306.db2.gz YIPOHWDDWQRNGQ-HZPDHXFCSA-N 2 2 291.439 1.417 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001085988267 926572310 /nfs/dbraw/zinc/57/23/10/926572310.db2.gz YIPOHWDDWQRNGQ-HZPDHXFCSA-N 2 2 291.439 1.417 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001085988267 926572324 /nfs/dbraw/zinc/57/23/24/926572324.db2.gz YIPOHWDDWQRNGQ-HZPDHXFCSA-N 2 2 291.439 1.417 20 30 CDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109208864 928838107 /nfs/dbraw/zinc/83/81/07/928838107.db2.gz DJJSWJJLRVFOFI-AGIUHOORSA-N 2 2 274.368 1.250 20 30 CDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086722231 929722328 /nfs/dbraw/zinc/72/23/28/929722328.db2.gz RIBVTDJNNPRTBS-REWJHTLYSA-N 2 2 286.379 1.021 20 30 CDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086722231 929722335 /nfs/dbraw/zinc/72/23/35/929722335.db2.gz RIBVTDJNNPRTBS-REWJHTLYSA-N 2 2 286.379 1.021 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134517438 929778711 /nfs/dbraw/zinc/77/87/11/929778711.db2.gz HGKITMJXVHCNRQ-LBPRGKRZSA-N 2 2 250.346 1.116 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545302 929780208 /nfs/dbraw/zinc/78/02/08/929780208.db2.gz NKFIUAPFTOROEP-VXGBXAGGSA-N 2 2 298.818 1.968 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545302 929780211 /nfs/dbraw/zinc/78/02/11/929780211.db2.gz NKFIUAPFTOROEP-VXGBXAGGSA-N 2 2 298.818 1.968 20 30 CDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667257 930454182 /nfs/dbraw/zinc/45/41/82/930454182.db2.gz GMTVWZUCRSMOOS-UHFFFAOYSA-N 2 2 276.384 1.499 20 30 CDEDLP C#CCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790430 937420078 /nfs/dbraw/zinc/42/00/78/937420078.db2.gz PYFBIGWTKUCFNF-UHFFFAOYSA-N 2 2 288.395 1.384 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170986785 931156769 /nfs/dbraw/zinc/15/67/69/931156769.db2.gz AKNXILUHMIYXQQ-UHFFFAOYSA-N 2 2 299.378 1.553 20 30 CDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153995354 937489782 /nfs/dbraw/zinc/48/97/82/937489782.db2.gz YSRZMLOTFIUVFO-CQSZACIVSA-N 2 2 290.411 1.386 20 30 CDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153995354 937489783 /nfs/dbraw/zinc/48/97/83/937489783.db2.gz YSRZMLOTFIUVFO-CQSZACIVSA-N 2 2 290.411 1.386 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274964667 931618257 /nfs/dbraw/zinc/61/82/57/931618257.db2.gz UABNHXZMOBBIAX-HOTGVXAUSA-N 2 2 290.411 1.234 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274964667 931618259 /nfs/dbraw/zinc/61/82/59/931618259.db2.gz UABNHXZMOBBIAX-HOTGVXAUSA-N 2 2 290.411 1.234 20 30 CDEDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)nc1 ZINC001275296209 931728603 /nfs/dbraw/zinc/72/86/03/931728603.db2.gz VLKVIPBVTDMYQW-GOOCMWNKSA-N 2 2 256.353 1.668 20 30 CDEDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)nc1 ZINC001275296209 931728608 /nfs/dbraw/zinc/72/86/08/931728608.db2.gz VLKVIPBVTDMYQW-GOOCMWNKSA-N 2 2 256.353 1.668 20 30 CDEDLP C#CCCC[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001275975461 932188640 /nfs/dbraw/zinc/18/86/40/932188640.db2.gz DYVXYBHLVCPFAC-UHFFFAOYSA-N 2 2 258.369 1.057 20 30 CDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156016387 937694671 /nfs/dbraw/zinc/69/46/71/937694671.db2.gz AJFGOPAGMWTJKQ-GFCCVEGCSA-N 2 2 264.373 1.355 20 30 CDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156016387 937694672 /nfs/dbraw/zinc/69/46/72/937694672.db2.gz AJFGOPAGMWTJKQ-GFCCVEGCSA-N 2 2 264.373 1.355 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008343568 935400842 /nfs/dbraw/zinc/40/08/42/935400842.db2.gz PBWUSTPWGZFFNG-CQSZACIVSA-N 2 2 289.379 1.169 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008343568 935400844 /nfs/dbraw/zinc/40/08/44/935400844.db2.gz PBWUSTPWGZFFNG-CQSZACIVSA-N 2 2 289.379 1.169 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001163274647 939237899 /nfs/dbraw/zinc/23/78/99/939237899.db2.gz BDXAAGGTJXSXLW-OAHLLOKOSA-N 2 2 297.443 1.159 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001163274647 939237900 /nfs/dbraw/zinc/23/79/00/939237900.db2.gz BDXAAGGTJXSXLW-OAHLLOKOSA-N 2 2 297.443 1.159 20 30 CDEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076209 939728957 /nfs/dbraw/zinc/72/89/57/939728957.db2.gz LDFVMORVLFTGIX-AWEZNQCLSA-N 2 2 290.411 1.818 20 30 CDEDLP C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1[NH3+] ZINC001206065097 939973290 /nfs/dbraw/zinc/97/32/90/939973290.db2.gz MBBUTILIRYTCBO-CZUORRHYSA-N 2 2 272.396 1.815 20 30 CDEDLP C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1[NH3+] ZINC001206065097 939973292 /nfs/dbraw/zinc/97/32/92/939973292.db2.gz MBBUTILIRYTCBO-CZUORRHYSA-N 2 2 272.396 1.815 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837640 940645789 /nfs/dbraw/zinc/64/57/89/940645789.db2.gz QJBYBXFPZAWFAB-ZIAGYGMSSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216974580 940972364 /nfs/dbraw/zinc/97/23/64/940972364.db2.gz KNBXQIZMOWCDFJ-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222088764 941562490 /nfs/dbraw/zinc/56/24/90/941562490.db2.gz XJBSSVBPEKLDDA-HNNXBMFYSA-N 2 2 290.411 1.820 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225946745 941932885 /nfs/dbraw/zinc/93/28/85/941932885.db2.gz JWLWBBCAXXKTOF-ZIAGYGMSSA-N 2 2 290.411 1.935 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229682928 942509937 /nfs/dbraw/zinc/50/99/37/942509937.db2.gz KJWDDDZHUCBQGA-HUUCEWRRSA-N 2 2 288.395 1.003 20 30 CDEDLP N#CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235981583 944343996 /nfs/dbraw/zinc/34/39/96/944343996.db2.gz RHHRPVKASQFTPJ-DZGCQCFKSA-N 2 2 257.337 1.512 20 30 CDEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235981583 944344008 /nfs/dbraw/zinc/34/40/08/944344008.db2.gz RHHRPVKASQFTPJ-DZGCQCFKSA-N 2 2 257.337 1.512 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235986996 944352206 /nfs/dbraw/zinc/35/22/06/944352206.db2.gz DAOCIHDRVUZLTD-NVXWUHKLSA-N 2 2 284.407 1.960 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235986996 944352214 /nfs/dbraw/zinc/35/22/14/944352214.db2.gz DAOCIHDRVUZLTD-NVXWUHKLSA-N 2 2 284.407 1.960 20 30 CDEDLP CC[C@@H](CC#N)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001255172369 947764089 /nfs/dbraw/zinc/76/40/89/947764089.db2.gz ODHDQCDPCZNMKZ-AWEZNQCLSA-N 2 2 264.417 1.390 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246704244 948411378 /nfs/dbraw/zinc/41/13/78/948411378.db2.gz PXFWSGCXEFTQIM-BFYDXBDKSA-N 2 2 291.439 1.627 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246704244 948411383 /nfs/dbraw/zinc/41/13/83/948411383.db2.gz PXFWSGCXEFTQIM-BFYDXBDKSA-N 2 2 291.439 1.627 20 30 CDEDLP C[N@H+](Cc1cnn2ccc(C#N)cc12)C1CC[NH+](C)CC1 ZINC001249082117 949368526 /nfs/dbraw/zinc/36/85/26/949368526.db2.gz HUCWKAKXHHAJKF-UHFFFAOYSA-N 2 2 283.379 1.732 20 30 CDEDLP C[N@@H+](Cc1cnn2ccc(C#N)cc12)C1CC[NH+](C)CC1 ZINC001249082117 949368547 /nfs/dbraw/zinc/36/85/47/949368547.db2.gz HUCWKAKXHHAJKF-UHFFFAOYSA-N 2 2 283.379 1.732 20 30 CDEDLP C=CCOC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001252470608 951316722 /nfs/dbraw/zinc/31/67/22/951316722.db2.gz MWVMAQNTDQAQJK-CHWSQXEVSA-N 2 2 265.357 1.153 20 30 CDEDLP C=CCOC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001252470608 951316742 /nfs/dbraw/zinc/31/67/42/951316742.db2.gz MWVMAQNTDQAQJK-CHWSQXEVSA-N 2 2 265.357 1.153 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001253207154 951803516 /nfs/dbraw/zinc/80/35/16/951803516.db2.gz ABOKHGITEKLHAO-AWEZNQCLSA-N 2 2 279.359 1.490 20 30 CDEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001494718403 972296623 /nfs/dbraw/zinc/29/66/23/972296623.db2.gz JDIWRLXLSMUQGX-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001494718403 972296626 /nfs/dbraw/zinc/29/66/26/972296626.db2.gz JDIWRLXLSMUQGX-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)Cn1cc[nH+]c1 ZINC001335940387 960111441 /nfs/dbraw/zinc/11/14/41/960111441.db2.gz CVSGXTCNVQOKQN-STQMWFEESA-N 2 2 264.373 1.410 20 30 CDEDLP C#CC[NH2+]CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001342475583 963747807 /nfs/dbraw/zinc/74/78/07/963747807.db2.gz QGUSFRRFBYMETR-UHFFFAOYSA-N 2 2 279.771 1.563 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001100715129 969002730 /nfs/dbraw/zinc/00/27/30/969002730.db2.gz DENKJTJWINIMTD-NFOMZHRRSA-N 2 2 290.411 1.895 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001397057179 975450991 /nfs/dbraw/zinc/45/09/91/975450991.db2.gz RPFDMEJUDRNVON-BJHJDKERSA-N 2 2 296.802 1.579 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257811 342098861 /nfs/dbraw/zinc/09/88/61/342098861.db2.gz GEKQJGQWPRQUQY-KBPBESRZSA-N 2 2 289.383 1.281 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257811 342098862 /nfs/dbraw/zinc/09/88/62/342098862.db2.gz GEKQJGQWPRQUQY-KBPBESRZSA-N 2 2 289.383 1.281 20 30 CDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000594992965 342994434 /nfs/dbraw/zinc/99/44/34/342994434.db2.gz MNGUFDKIDDWXEO-CYBMUJFWSA-N 2 2 275.352 1.494 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000295028900 199309144 /nfs/dbraw/zinc/30/91/44/199309144.db2.gz OKFFOZIMMVRTLH-AWEZNQCLSA-N 2 2 260.385 1.416 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000295028900 199309145 /nfs/dbraw/zinc/30/91/45/199309145.db2.gz OKFFOZIMMVRTLH-AWEZNQCLSA-N 2 2 260.385 1.416 20 30 CDEDLP CO[C@H]1C[N@H+](CCc2ccc(C#N)cc2)[C@@](C)(C[NH3+])C1 ZINC000600888162 349889317 /nfs/dbraw/zinc/88/93/17/349889317.db2.gz ZCMLPFWXNIJSPB-HZPDHXFCSA-N 2 2 273.380 1.539 20 30 CDEDLP CO[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@@](C)(C[NH3+])C1 ZINC000600888162 349889321 /nfs/dbraw/zinc/88/93/21/349889321.db2.gz ZCMLPFWXNIJSPB-HZPDHXFCSA-N 2 2 273.380 1.539 20 30 CDEDLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391833 346775946 /nfs/dbraw/zinc/77/59/46/346775946.db2.gz AOTZGXQAQFZNIO-GDBMZVCRSA-N 2 2 273.380 1.448 20 30 CDEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(C#N)n1 ZINC000602647131 350136549 /nfs/dbraw/zinc/13/65/49/350136549.db2.gz HCDNRULVHKLICH-UHFFFAOYSA-N 2 2 258.369 1.871 20 30 CDEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C#N)n1 ZINC000602647131 350136553 /nfs/dbraw/zinc/13/65/53/350136553.db2.gz HCDNRULVHKLICH-UHFFFAOYSA-N 2 2 258.369 1.871 20 30 CDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000602717874 350144251 /nfs/dbraw/zinc/14/42/51/350144251.db2.gz JLJVNAXBPUCGML-MRXNPFEDSA-N 2 2 286.379 1.296 20 30 CDEDLP C=CC[NH+]1CCC(Nc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077218355 350670684 /nfs/dbraw/zinc/67/06/84/350670684.db2.gz RSRINDITSBQQBZ-UHFFFAOYSA-N 2 2 284.367 1.725 20 30 CDEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000569785502 363058862 /nfs/dbraw/zinc/05/88/62/363058862.db2.gz ZGSPJFRWEXEHIY-UHFFFAOYSA-N 2 2 270.380 1.939 20 30 CDEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3F)C[C@@H]2C1 ZINC000193628229 358310349 /nfs/dbraw/zinc/31/03/49/358310349.db2.gz IBZPOQLVZJYRCA-OKILXGFUSA-N 2 2 259.328 1.691 20 30 CDEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3F)C[C@@H]2C1 ZINC000193628229 358310350 /nfs/dbraw/zinc/31/03/50/358310350.db2.gz IBZPOQLVZJYRCA-OKILXGFUSA-N 2 2 259.328 1.691 20 30 CDEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@@H]2C1 ZINC000193628229 358310352 /nfs/dbraw/zinc/31/03/52/358310352.db2.gz IBZPOQLVZJYRCA-OKILXGFUSA-N 2 2 259.328 1.691 20 30 CDEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]2C1 ZINC000193628229 358310353 /nfs/dbraw/zinc/31/03/53/358310353.db2.gz IBZPOQLVZJYRCA-OKILXGFUSA-N 2 2 259.328 1.691 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C#N)c(F)c1 ZINC000567490905 358689172 /nfs/dbraw/zinc/68/91/72/358689172.db2.gz XFFMBZBFEXVQJW-RISCZKNCSA-N 2 2 277.343 1.726 20 30 CDEDLP C[NH+](C)C1CC[NH+](CCNc2cccc(C#N)n2)CC1 ZINC000267193691 359008107 /nfs/dbraw/zinc/00/81/07/359008107.db2.gz MXPWBGLLFJEOKI-UHFFFAOYSA-N 2 2 273.384 1.391 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)CCC[NH+](CC)CC)C1=O ZINC000337172679 360009076 /nfs/dbraw/zinc/00/90/76/360009076.db2.gz GRZLBSJHTDKZKU-AWEZNQCLSA-N 2 2 267.417 1.437 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)CCC[NH+](CC)CC)C1=O ZINC000337172679 360009080 /nfs/dbraw/zinc/00/90/80/360009080.db2.gz GRZLBSJHTDKZKU-AWEZNQCLSA-N 2 2 267.417 1.437 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](C[N@@H+](C)CCC)C2)C1=O ZINC000337172359 360009573 /nfs/dbraw/zinc/00/95/73/360009573.db2.gz GNWPQWJUSMFPHZ-CABCVRRESA-N 2 2 279.428 1.437 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](C[N@H+](C)CCC)C2)C1=O ZINC000337172359 360009578 /nfs/dbraw/zinc/00/95/78/360009578.db2.gz GNWPQWJUSMFPHZ-CABCVRRESA-N 2 2 279.428 1.437 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)CCC)C2)C1=O ZINC000337172359 360009581 /nfs/dbraw/zinc/00/95/81/360009581.db2.gz GNWPQWJUSMFPHZ-CABCVRRESA-N 2 2 279.428 1.437 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)CCC)C2)C1=O ZINC000337172359 360009585 /nfs/dbraw/zinc/00/95/85/360009585.db2.gz GNWPQWJUSMFPHZ-CABCVRRESA-N 2 2 279.428 1.437 20 30 CDEDLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433295130 361229031 /nfs/dbraw/zinc/22/90/31/361229031.db2.gz OKSSKORDSYSMAQ-UHFFFAOYSA-N 2 2 280.416 1.068 20 30 CDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000433295130 361229035 /nfs/dbraw/zinc/22/90/35/361229035.db2.gz OKSSKORDSYSMAQ-UHFFFAOYSA-N 2 2 280.416 1.068 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000638523364 370734780 /nfs/dbraw/zinc/73/47/80/370734780.db2.gz APYGMXCVHCNIDS-UHFFFAOYSA-N 2 2 260.381 1.919 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354223131 365415329 /nfs/dbraw/zinc/41/53/29/365415329.db2.gz NIRISIVYPPVVBX-CABCVRRESA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354223131 365415338 /nfs/dbraw/zinc/41/53/38/365415338.db2.gz NIRISIVYPPVVBX-CABCVRRESA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354223131 365415341 /nfs/dbraw/zinc/41/53/41/365415341.db2.gz NIRISIVYPPVVBX-CABCVRRESA-N 2 2 294.443 1.553 20 30 CDEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354223131 365415344 /nfs/dbraw/zinc/41/53/44/365415344.db2.gz NIRISIVYPPVVBX-CABCVRRESA-N 2 2 294.443 1.553 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361229226 368701248 /nfs/dbraw/zinc/70/12/48/368701248.db2.gz MAIAYIZZIWLVDD-HIFRSBDPSA-N 3 2 251.418 1.567 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000361229226 368701254 /nfs/dbraw/zinc/70/12/54/368701254.db2.gz MAIAYIZZIWLVDD-HIFRSBDPSA-N 3 2 251.418 1.567 20 30 CDEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@](C)(O)C[NH2+]C ZINC000573331152 371504704 /nfs/dbraw/zinc/50/47/04/371504704.db2.gz NPRMXFUAGVWCAC-MRXNPFEDSA-N 2 2 278.396 1.654 20 30 CDEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@](C)(O)C[NH2+]C ZINC000573331152 371504709 /nfs/dbraw/zinc/50/47/09/371504709.db2.gz NPRMXFUAGVWCAC-MRXNPFEDSA-N 2 2 278.396 1.654 20 30 CDEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000358248892 373949738 /nfs/dbraw/zinc/94/97/38/373949738.db2.gz JNNPNRXODSNIHL-ABAIWWIYSA-N 2 2 277.343 1.415 20 30 CDEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000358248892 373949745 /nfs/dbraw/zinc/94/97/45/373949745.db2.gz JNNPNRXODSNIHL-ABAIWWIYSA-N 2 2 277.343 1.415 20 30 CDEDLP CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000328809994 375959817 /nfs/dbraw/zinc/95/98/17/375959817.db2.gz FBUIHDRUAYUBFQ-GFCCVEGCSA-N 2 2 264.373 1.794 20 30 CDEDLP CC[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328941054 376015261 /nfs/dbraw/zinc/01/52/61/376015261.db2.gz STINXPQZLZAOJD-GFCCVEGCSA-N 2 2 276.384 1.886 20 30 CDEDLP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)c1)C1CC1 ZINC000290037393 377616633 /nfs/dbraw/zinc/61/66/33/377616633.db2.gz QTASTPZUWQXPJL-INIZCTEOSA-N 2 2 273.380 1.445 20 30 CDEDLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1)C1CC1 ZINC000290037393 377616643 /nfs/dbraw/zinc/61/66/43/377616643.db2.gz QTASTPZUWQXPJL-INIZCTEOSA-N 2 2 273.380 1.445 20 30 CDEDLP C[NH+](Cc1cccc(C#N)c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290037393 377616653 /nfs/dbraw/zinc/61/66/53/377616653.db2.gz QTASTPZUWQXPJL-INIZCTEOSA-N 2 2 273.380 1.445 20 30 CDEDLP C[NH+](Cc1cccc(C#N)c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290037393 377616663 /nfs/dbraw/zinc/61/66/63/377616663.db2.gz QTASTPZUWQXPJL-INIZCTEOSA-N 2 2 273.380 1.445 20 30 CDEDLP C=CCOc1cccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000131548276 377667570 /nfs/dbraw/zinc/66/75/70/377667570.db2.gz OAZLIVYEQZYBGX-MRXNPFEDSA-N 2 2 278.396 1.654 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000293947023 378606300 /nfs/dbraw/zinc/60/63/00/378606300.db2.gz JQVJOBDHYGBQGE-UHFFFAOYSA-N 2 2 298.390 1.416 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000293947023 378606308 /nfs/dbraw/zinc/60/63/08/378606308.db2.gz JQVJOBDHYGBQGE-UHFFFAOYSA-N 2 2 298.390 1.416 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428808 391299149 /nfs/dbraw/zinc/29/91/49/391299149.db2.gz PDXGCPOYQXQKKE-ZFWWWQNUSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428808 391299152 /nfs/dbraw/zinc/29/91/52/391299152.db2.gz PDXGCPOYQXQKKE-ZFWWWQNUSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428808 391299154 /nfs/dbraw/zinc/29/91/54/391299154.db2.gz PDXGCPOYQXQKKE-ZFWWWQNUSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428808 391299155 /nfs/dbraw/zinc/29/91/55/391299155.db2.gz PDXGCPOYQXQKKE-ZFWWWQNUSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354224051 391410982 /nfs/dbraw/zinc/41/09/82/391410982.db2.gz PMTCJRNJCIQRDQ-JKSUJKDBSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354224051 391410985 /nfs/dbraw/zinc/41/09/85/391410985.db2.gz PMTCJRNJCIQRDQ-JKSUJKDBSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354224051 391410988 /nfs/dbraw/zinc/41/09/88/391410988.db2.gz PMTCJRNJCIQRDQ-JKSUJKDBSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354224051 391410989 /nfs/dbraw/zinc/41/09/89/391410989.db2.gz PMTCJRNJCIQRDQ-JKSUJKDBSA-N 2 2 293.455 1.992 20 30 CDEDLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353655291 391668072 /nfs/dbraw/zinc/66/80/72/391668072.db2.gz FXIOXYMFIBJAIU-HOTGVXAUSA-N 2 2 271.364 1.202 20 30 CDEDLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353655291 391668075 /nfs/dbraw/zinc/66/80/75/391668075.db2.gz FXIOXYMFIBJAIU-HOTGVXAUSA-N 2 2 271.364 1.202 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451537167 391798426 /nfs/dbraw/zinc/79/84/26/391798426.db2.gz QRLPQRGPUBYZAC-QGZVFWFLSA-N 2 2 291.439 1.276 20 30 CDEDLP CC#CC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451537167 391798428 /nfs/dbraw/zinc/79/84/28/391798428.db2.gz QRLPQRGPUBYZAC-QGZVFWFLSA-N 2 2 291.439 1.276 20 30 CDEDLP CC#CC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451537167 391798429 /nfs/dbraw/zinc/79/84/29/391798429.db2.gz QRLPQRGPUBYZAC-QGZVFWFLSA-N 2 2 291.439 1.276 20 30 CDEDLP CC#CC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451537167 391798430 /nfs/dbraw/zinc/79/84/30/391798430.db2.gz QRLPQRGPUBYZAC-QGZVFWFLSA-N 2 2 291.439 1.276 20 30 CDEDLP C[C@H]1C[NH+]=C(NCC[N@@H+]2CCc3sccc3C2)N1 ZINC000262675588 391809674 /nfs/dbraw/zinc/80/96/74/391809674.db2.gz TWHCNKAPZCKURU-JTQLQIEISA-N 2 2 264.398 1.044 20 30 CDEDLP C[C@H]1C[NH+]=C(NCC[N@H+]2CCc3sccc3C2)N1 ZINC000262675588 391809679 /nfs/dbraw/zinc/80/96/79/391809679.db2.gz TWHCNKAPZCKURU-JTQLQIEISA-N 2 2 264.398 1.044 20 30 CDEDLP CN1CC[NH+]=C1NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000262670990 391809813 /nfs/dbraw/zinc/80/98/13/391809813.db2.gz QYSYODPXIZYBCL-UHFFFAOYSA-N 2 2 264.348 1.149 20 30 CDEDLP CN1CC[NH+]=C1NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000262670990 391809816 /nfs/dbraw/zinc/80/98/16/391809816.db2.gz QYSYODPXIZYBCL-UHFFFAOYSA-N 2 2 264.348 1.149 20 30 CDEDLP Cc1ccc([C@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1 ZINC000262683885 391812859 /nfs/dbraw/zinc/81/28/59/391812859.db2.gz XRYOIBHMWXODBK-AWEZNQCLSA-N 2 2 260.385 1.489 20 30 CDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H](C)CC(N)=O)C(C)C ZINC000268802822 132068925 /nfs/dbraw/zinc/06/89/25/132068925.db2.gz IBBHLIKMKKIQPQ-KGLIPLIRSA-N 2 2 267.417 1.539 20 30 CDEDLP CNC(NCCCn1c(C)[nH+]c2ccccc21)=[NH+]C ZINC000263983446 397610061 /nfs/dbraw/zinc/61/00/61/397610061.db2.gz SARLQSWQYYAQML-UHFFFAOYSA-N 2 2 259.357 1.530 20 30 CDEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCc1nc(C)c(C)s1 ZINC000157858157 260866061 /nfs/dbraw/zinc/86/60/61/260866061.db2.gz VEODGEBGVSSSRT-UHFFFAOYSA-N 2 2 292.412 1.322 20 30 CDEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000331208765 264162070 /nfs/dbraw/zinc/16/20/70/264162070.db2.gz ZXWRQNVXQNAVBI-LSDHHAIUSA-N 2 2 292.427 1.165 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371349091 267394491 /nfs/dbraw/zinc/39/44/91/267394491.db2.gz FQFHAHVLQCVLHB-JSGCOSHPSA-N 2 2 271.836 1.697 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371349091 267394493 /nfs/dbraw/zinc/39/44/93/267394493.db2.gz FQFHAHVLQCVLHB-JSGCOSHPSA-N 2 2 271.836 1.697 20 30 CDEDLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000377263425 268060940 /nfs/dbraw/zinc/06/09/40/268060940.db2.gz XUEVPVADZXPRCY-HOCLYGCPSA-N 2 2 292.427 1.211 20 30 CDEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000377263425 268060943 /nfs/dbraw/zinc/06/09/43/268060943.db2.gz XUEVPVADZXPRCY-HOCLYGCPSA-N 2 2 292.427 1.211 20 30 CDEDLP C=C(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000181304736 329230732 /nfs/dbraw/zinc/23/07/32/329230732.db2.gz OVMSCSHRTRIOFY-UHFFFAOYSA-N 2 2 291.395 1.432 20 30 CDEDLP C=C(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000181304736 329230733 /nfs/dbraw/zinc/23/07/33/329230733.db2.gz OVMSCSHRTRIOFY-UHFFFAOYSA-N 2 2 291.395 1.432 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000490761971 332113723 /nfs/dbraw/zinc/11/37/23/332113723.db2.gz YNIYYWOMVJMILY-INIZCTEOSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000490761971 332113724 /nfs/dbraw/zinc/11/37/24/332113724.db2.gz YNIYYWOMVJMILY-INIZCTEOSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000490839792 332119292 /nfs/dbraw/zinc/11/92/92/332119292.db2.gz KJJMVLIGGNHMFA-AWEZNQCLSA-N 2 2 279.428 1.130 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000490839792 332119293 /nfs/dbraw/zinc/11/92/93/332119293.db2.gz KJJMVLIGGNHMFA-AWEZNQCLSA-N 2 2 279.428 1.130 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C(C)C)C2CCC2)CC1 ZINC000490866521 332121281 /nfs/dbraw/zinc/12/12/81/332121281.db2.gz PYOQSRFFLODYKZ-UHFFFAOYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C(C)C)C2CCC2)CC1 ZINC000490866521 332121283 /nfs/dbraw/zinc/12/12/83/332121283.db2.gz PYOQSRFFLODYKZ-UHFFFAOYSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCNC(=O)CC[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000491451338 332213656 /nfs/dbraw/zinc/21/36/56/332213656.db2.gz FKTRXMTVHVOKHA-UHFFFAOYSA-N 2 2 282.347 1.101 20 30 CDEDLP C#CC[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491554715 332236949 /nfs/dbraw/zinc/23/69/49/332236949.db2.gz LNHARSPYIYCQHY-UHFFFAOYSA-N 2 2 258.365 1.584 20 30 CDEDLP C#CC[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491554715 332236951 /nfs/dbraw/zinc/23/69/51/332236951.db2.gz LNHARSPYIYCQHY-UHFFFAOYSA-N 2 2 258.365 1.584 20 30 CDEDLP C#CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000491625274 332249116 /nfs/dbraw/zinc/24/91/16/332249116.db2.gz KHTNKTQGVDAYMG-UHFFFAOYSA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000491625274 332249118 /nfs/dbraw/zinc/24/91/18/332249118.db2.gz KHTNKTQGVDAYMG-UHFFFAOYSA-N 2 2 277.412 1.073 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+](CCOC)CC1)C(C)(C)C ZINC000491727087 332310385 /nfs/dbraw/zinc/31/03/85/332310385.db2.gz LAHLMFCQKLMWMG-AWEZNQCLSA-N 2 2 252.402 1.735 20 30 CDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000174959424 333011887 /nfs/dbraw/zinc/01/18/87/333011887.db2.gz WYFOESYYPKLPLJ-GJZGRUSLSA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000174959424 333011889 /nfs/dbraw/zinc/01/18/89/333011889.db2.gz WYFOESYYPKLPLJ-GJZGRUSLSA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000174959424 333011890 /nfs/dbraw/zinc/01/18/90/333011890.db2.gz WYFOESYYPKLPLJ-GJZGRUSLSA-N 2 2 294.443 1.411 20 30 CDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000174959424 333011892 /nfs/dbraw/zinc/01/18/92/333011892.db2.gz WYFOESYYPKLPLJ-GJZGRUSLSA-N 2 2 294.443 1.411 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nn1 ZINC000576936964 335265983 /nfs/dbraw/zinc/26/59/83/335265983.db2.gz QPKIRAJYOHKIID-ARFHVFGLSA-N 2 2 289.427 1.865 20 30 CDEDLP C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001753728122 1159896042 /nfs/dbraw/zinc/89/60/42/1159896042.db2.gz PQWIQEHTWBARPT-UONOGXRCSA-N 2 2 278.400 1.674 20 30 CDEDLP C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C[N@@H+]1C1CC1 ZINC000753937771 574982838 /nfs/dbraw/zinc/98/28/38/574982838.db2.gz GKVKJBDWQYKNNN-SWHYSGLUSA-N 2 2 275.400 1.459 20 30 CDEDLP C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C[N@H+]1C1CC1 ZINC000753937771 574982841 /nfs/dbraw/zinc/98/28/41/574982841.db2.gz GKVKJBDWQYKNNN-SWHYSGLUSA-N 2 2 275.400 1.459 20 30 CDEDLP C[C@H]1C[N@H+](C)CC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761830359 576595918 /nfs/dbraw/zinc/59/59/18/576595918.db2.gz HKNBAAJGKFADFB-JTQLQIEISA-N 2 2 271.328 1.012 20 30 CDEDLP C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761830359 576595920 /nfs/dbraw/zinc/59/59/20/576595920.db2.gz HKNBAAJGKFADFB-JTQLQIEISA-N 2 2 271.328 1.012 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971987859 613288161 /nfs/dbraw/zinc/28/81/61/613288161.db2.gz CWBXYRSERZXAOJ-AWEZNQCLSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971987859 613288162 /nfs/dbraw/zinc/28/81/62/613288162.db2.gz CWBXYRSERZXAOJ-AWEZNQCLSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000972518428 613289231 /nfs/dbraw/zinc/28/92/31/613289231.db2.gz UWZVJJAUZCWDAV-ZFWWWQNUSA-N 2 2 290.411 1.697 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000972518428 613289233 /nfs/dbraw/zinc/28/92/33/613289233.db2.gz UWZVJJAUZCWDAV-ZFWWWQNUSA-N 2 2 290.411 1.697 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000972518428 613289235 /nfs/dbraw/zinc/28/92/35/613289235.db2.gz UWZVJJAUZCWDAV-ZFWWWQNUSA-N 2 2 290.411 1.697 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000972518428 613289236 /nfs/dbraw/zinc/28/92/36/613289236.db2.gz UWZVJJAUZCWDAV-ZFWWWQNUSA-N 2 2 290.411 1.697 20 30 CDEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982087532 613305320 /nfs/dbraw/zinc/30/53/20/613305320.db2.gz VTVZKUKVOITICG-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982087532 613305321 /nfs/dbraw/zinc/30/53/21/613305321.db2.gz VTVZKUKVOITICG-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947981282 613327686 /nfs/dbraw/zinc/32/76/86/613327686.db2.gz UUABJOMJTPIWEF-TZMCWYRMSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947981282 613327688 /nfs/dbraw/zinc/32/76/88/613327688.db2.gz UUABJOMJTPIWEF-TZMCWYRMSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000970227133 613348756 /nfs/dbraw/zinc/34/87/56/613348756.db2.gz GZFPGMNPPMMYHY-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000970227133 613348757 /nfs/dbraw/zinc/34/87/57/613348757.db2.gz GZFPGMNPPMMYHY-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981353187 613350610 /nfs/dbraw/zinc/35/06/10/613350610.db2.gz HRDPUJHGFKOHDI-QWHCGFSZSA-N 2 2 276.384 1.545 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)COCCOC)CC1 ZINC000892881460 617857206 /nfs/dbraw/zinc/85/72/06/617857206.db2.gz WXUWBRAUVLPHQD-CYBMUJFWSA-N 2 2 256.390 1.278 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397563015 1158578203 /nfs/dbraw/zinc/57/82/03/1158578203.db2.gz BNJISEPEVQZHEE-KBPBESRZSA-N 2 2 253.390 1.315 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397563015 1158578205 /nfs/dbraw/zinc/57/82/05/1158578205.db2.gz BNJISEPEVQZHEE-KBPBESRZSA-N 2 2 253.390 1.315 20 30 CDEDLP C#CC(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001268944728 1160025952 /nfs/dbraw/zinc/02/59/52/1160025952.db2.gz KENJWOCXTNSTPS-CVEARBPZSA-N 2 2 286.379 1.068 20 30 CDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133134369 1163578851 /nfs/dbraw/zinc/57/88/51/1163578851.db2.gz DGGWLVDAZHDTTN-KBPBESRZSA-N 2 2 288.395 1.050 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135557142 1164154109 /nfs/dbraw/zinc/15/41/09/1164154109.db2.gz KADMCCMQDMDMNF-NEPJUHHUSA-N 2 2 264.373 1.401 20 30 CDEDLP C=C(C)CN1CC[C@]2(CCC[N@H+]2CCn2cc[nH+]c2)C1=O ZINC001273785084 1164419746 /nfs/dbraw/zinc/41/97/46/1164419746.db2.gz NVWRKCNGBSINMZ-MRXNPFEDSA-N 2 2 288.395 1.526 20 30 CDEDLP C#C[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000877514669 1166049920 /nfs/dbraw/zinc/04/99/20/1166049920.db2.gz SOIDKBIGGBRHRU-OAHLLOKOSA-N 2 2 288.391 1.509 20 30 CDEDLP N#CC1(C[C@H](O)C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC001580038728 1172330465 /nfs/dbraw/zinc/33/04/65/1172330465.db2.gz RDXXMYDAIMVNBZ-GVDBMIGSSA-N 2 2 299.418 1.776 20 30 CDEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001713981545 1178905011 /nfs/dbraw/zinc/90/50/11/1178905011.db2.gz VTAHQQTUBFJUNE-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001713981545 1178905014 /nfs/dbraw/zinc/90/50/14/1178905014.db2.gz VTAHQQTUBFJUNE-ZIAGYGMSSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001713981545 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C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001205190517 939833627 /nfs/dbraw/zinc/83/36/27/939833627.db2.gz REYMKEUWDYOUJQ-CZUORRHYSA-N 2 2 272.396 1.958 20 30 CDEDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001205190517 939833628 /nfs/dbraw/zinc/83/36/28/939833628.db2.gz REYMKEUWDYOUJQ-CZUORRHYSA-N 2 2 272.396 1.958 20 30 CDEDLP C=CCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953284 939959996 /nfs/dbraw/zinc/95/99/96/939959996.db2.gz RKXDWGKGBSHNRD-ZIAGYGMSSA-N 2 2 262.353 1.145 20 30 CDEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953284 939959997 /nfs/dbraw/zinc/95/99/97/939959997.db2.gz RKXDWGKGBSHNRD-ZIAGYGMSSA-N 2 2 262.353 1.145 20 30 CDEDLP C#CCCC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001209263460 940454097 /nfs/dbraw/zinc/45/40/97/940454097.db2.gz LMJVEKRXCAYBQQ-UHFFFAOYSA-N 2 2 272.396 1.708 20 30 CDEDLP C#CCCC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001209263460 940454099 /nfs/dbraw/zinc/45/40/99/940454099.db2.gz LMJVEKRXCAYBQQ-UHFFFAOYSA-N 2 2 272.396 1.708 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667055 940704553 /nfs/dbraw/zinc/70/45/53/940704553.db2.gz CNQINLFIPRNGPW-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680867 940902923 /nfs/dbraw/zinc/90/29/23/940902923.db2.gz MJRYQDHSPWVQJD-TZMCWYRMSA-N 2 2 276.384 1.355 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222092359 941564297 /nfs/dbraw/zinc/56/42/97/941564297.db2.gz PNQJNOGQDACFCM-OAHLLOKOSA-N 2 2 288.395 1.267 20 30 CDEDLP N#Cc1cccc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c1F ZINC001222109205 941567122 /nfs/dbraw/zinc/56/71/22/941567122.db2.gz BPPQIVPTRUMJTC-UHFFFAOYSA-N 2 2 288.370 1.225 20 30 CDEDLP C=CC[NH+]1CCC(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001225305333 941842020 /nfs/dbraw/zinc/84/20/20/941842020.db2.gz YGZSWKZVBSKVRE-UHFFFAOYSA-N 2 2 290.411 1.367 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228801010 942378613 /nfs/dbraw/zinc/37/86/13/942378613.db2.gz URYOUSHQECAOSO-HUUCEWRRSA-N 2 2 290.411 1.935 20 30 CDEDLP C=CCCC[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230124590 942585273 /nfs/dbraw/zinc/58/52/73/942585273.db2.gz IPDRGUFILHBZSL-UHFFFAOYSA-N 2 2 290.411 1.807 20 30 CDEDLP C#CC[NH+](CC#C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232151039 943150789 /nfs/dbraw/zinc/15/07/89/943150789.db2.gz JVOHAPJYSFKCPG-UHFFFAOYSA-N 2 2 258.340 1.956 20 30 CDEDLP N#Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001232922029 943434604 /nfs/dbraw/zinc/43/46/04/943434604.db2.gz LRJVRGHBUSYOLB-UHFFFAOYSA-N 2 2 279.347 1.670 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235355652 944134318 /nfs/dbraw/zinc/13/43/18/944134318.db2.gz RMSCUKLQWSOWAU-CYBMUJFWSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235355652 944134320 /nfs/dbraw/zinc/13/43/20/944134320.db2.gz RMSCUKLQWSOWAU-CYBMUJFWSA-N 2 2 265.401 1.189 20 30 CDEDLP Cc1cc(N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC001254669317 947583739 /nfs/dbraw/zinc/58/37/39/947583739.db2.gz QTDIDCUCNHUBSU-LSDHHAIUSA-N 2 2 285.395 1.908 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C3CC[NH2+]CC3)C2)C1=O ZINC001246706665 948413406 /nfs/dbraw/zinc/41/34/06/948413406.db2.gz WPBKUVWYUNMPTD-MRXNPFEDSA-N 2 2 277.412 1.239 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@H+](C3CC[NH2+]CC3)C2)C1=O ZINC001246706665 948413411 /nfs/dbraw/zinc/41/34/11/948413411.db2.gz WPBKUVWYUNMPTD-MRXNPFEDSA-N 2 2 277.412 1.239 20 30 CDEDLP CCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001248747156 949120919 /nfs/dbraw/zinc/12/09/19/949120919.db2.gz OPGKBBPQORDFCV-UHFFFAOYSA-N 2 2 265.332 1.948 20 30 CDEDLP C=CCC[C@H](O)C[NH2+]CCSCc1[nH]c[nH+]c1C ZINC001252616778 951508803 /nfs/dbraw/zinc/50/88/03/951508803.db2.gz TUEQYKMFKPZVEI-LBPRGKRZSA-N 2 2 269.414 1.868 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001253408546 951891231 /nfs/dbraw/zinc/89/12/31/951891231.db2.gz WPMRGPRTYYMEJI-HNNXBMFYSA-N 2 2 260.381 1.377 20 30 CDEDLP C=C[C@@H](O)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001253587711 951980783 /nfs/dbraw/zinc/98/07/83/951980783.db2.gz OIQQGTSHMADLOM-OAHLLOKOSA-N 2 2 252.402 1.872 20 30 CDEDLP C=C[C@@H](O)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001253587711 951980792 /nfs/dbraw/zinc/98/07/92/951980792.db2.gz OIQQGTSHMADLOM-OAHLLOKOSA-N 2 2 252.402 1.872 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422904335 956441564 /nfs/dbraw/zinc/44/15/64/956441564.db2.gz BVOXRBKZOKEHCS-CHWSQXEVSA-N 2 2 289.851 1.762 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422904335 956441574 /nfs/dbraw/zinc/44/15/74/956441574.db2.gz BVOXRBKZOKEHCS-CHWSQXEVSA-N 2 2 289.851 1.762 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001316981760 957176006 /nfs/dbraw/zinc/17/60/06/957176006.db2.gz QXGUXDFFJPAMKZ-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001316981760 957176013 /nfs/dbraw/zinc/17/60/13/957176013.db2.gz QXGUXDFFJPAMKZ-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP CN1CCC(=[NH+]N2CC[NH+](C)CC2)c2ccccc21 ZINC001322408187 960209015 /nfs/dbraw/zinc/20/90/15/960209015.db2.gz NQYWYMPEIFACDJ-UHFFFAOYSA-N 2 2 258.369 1.478 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001443821466 965622842 /nfs/dbraw/zinc/62/28/42/965622842.db2.gz LITHBOFESNQLFI-OLZOCXBDSA-N 2 2 287.835 1.612 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001443821466 965622854 /nfs/dbraw/zinc/62/28/54/965622854.db2.gz LITHBOFESNQLFI-OLZOCXBDSA-N 2 2 287.835 1.612 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001398555308 976041154 /nfs/dbraw/zinc/04/11/54/976041154.db2.gz DGDSDSMUUVROCT-HAQNSBGRSA-N 2 2 282.775 1.263 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001403176616 976787910 /nfs/dbraw/zinc/78/79/10/976787910.db2.gz XFZFACJADXAGTD-GFCCVEGCSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001403176616 976787915 /nfs/dbraw/zinc/78/79/15/976787915.db2.gz XFZFACJADXAGTD-GFCCVEGCSA-N 2 2 287.835 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001404284241 977396134 /nfs/dbraw/zinc/39/61/34/977396134.db2.gz IFQMYLFURMYZOA-ZDUSSCGKSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001404284241 977396138 /nfs/dbraw/zinc/39/61/38/977396138.db2.gz IFQMYLFURMYZOA-ZDUSSCGKSA-N 2 2 287.835 1.660 20 30 CDEDLP CC[C@@H](C#N)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000593441485 342797762 /nfs/dbraw/zinc/79/77/62/342797762.db2.gz TXKKNWKDMMBIRD-ZDUSSCGKSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000594009484 342863223 /nfs/dbraw/zinc/86/32/23/342863223.db2.gz VRQQJNKVKLUFBF-ZDUSSCGKSA-N 2 2 280.416 1.257 20 30 CDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)cn3)CC2)C1 ZINC000593965460 342858115 /nfs/dbraw/zinc/85/81/15/342858115.db2.gz BJKXQIMFPAKBGA-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)cn3)CC2)C1 ZINC000593965460 342858116 /nfs/dbraw/zinc/85/81/16/342858116.db2.gz BJKXQIMFPAKBGA-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000595513534 343082695 /nfs/dbraw/zinc/08/26/95/343082695.db2.gz VOGHHARTUULLQD-GJZGRUSLSA-N 2 2 279.428 1.751 20 30 CDEDLP Cc1ccc(C#N)nc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000596152435 343246179 /nfs/dbraw/zinc/24/61/79/343246179.db2.gz XTSLOCPRCHVTIY-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP C=CCCSCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000596650958 343371420 /nfs/dbraw/zinc/37/14/20/343371420.db2.gz MNNATPKOCFRTAC-OLZOCXBDSA-N 2 2 258.431 1.652 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000598592832 343839156 /nfs/dbraw/zinc/83/91/56/343839156.db2.gz LTZPGBFRNQMIRU-ZDUSSCGKSA-N 2 2 276.384 1.890 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000598726268 343885895 /nfs/dbraw/zinc/88/58/95/343885895.db2.gz RNFXNCJHBBJRRY-CYBMUJFWSA-N 2 2 272.352 1.725 20 30 CDEDLP N#Cc1ccc(-c2nnc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000610367964 346265036 /nfs/dbraw/zinc/26/50/36/346265036.db2.gz SCGVDXPAQJKQTG-OKILXGFUSA-N 2 2 295.346 1.259 20 30 CDEDLP N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000610367964 346265038 /nfs/dbraw/zinc/26/50/38/346265038.db2.gz SCGVDXPAQJKQTG-OKILXGFUSA-N 2 2 295.346 1.259 20 30 CDEDLP CC#CC[C@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000641767764 365831882 /nfs/dbraw/zinc/83/18/82/365831882.db2.gz QOLAUNIPPZDVDH-CYBMUJFWSA-N 2 2 257.337 1.507 20 30 CDEDLP C=C(CC)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000449737113 362769625 /nfs/dbraw/zinc/76/96/25/362769625.db2.gz YOFQNGJPNSFJJQ-UHFFFAOYSA-N 2 2 281.444 1.339 20 30 CDEDLP C=C(CC)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000449737113 362769629 /nfs/dbraw/zinc/76/96/29/362769629.db2.gz YOFQNGJPNSFJJQ-UHFFFAOYSA-N 2 2 281.444 1.339 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264075488 362959797 /nfs/dbraw/zinc/95/97/97/362959797.db2.gz FLDBWHITWFMBFC-UHFFFAOYSA-N 2 2 271.368 1.976 20 30 CDEDLP CC[NH+](CC)[C@H](CNC(NC1CC1)=[NH+]C)c1ccco1 ZINC000264079438 362960452 /nfs/dbraw/zinc/96/04/52/362960452.db2.gz UBVQRCCZDFAQDC-CYBMUJFWSA-N 2 2 278.400 1.990 20 30 CDEDLP CC(C)(C)NC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000264109120 362969300 /nfs/dbraw/zinc/96/93/00/362969300.db2.gz OHGBFHKNHPBXBE-UHFFFAOYSA-N 2 2 259.357 1.580 20 30 CDEDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1C#N ZINC000135078888 357464668 /nfs/dbraw/zinc/46/46/68/357464668.db2.gz WMOIHTJYKQIQNC-CQSZACIVSA-N 2 2 273.380 1.950 20 30 CDEDLP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C#N ZINC000135078888 357464676 /nfs/dbraw/zinc/46/46/76/357464676.db2.gz WMOIHTJYKQIQNC-CQSZACIVSA-N 2 2 273.380 1.950 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)CC[C@H]2CCCC[NH+]2C)C1=O ZINC000337184326 360029484 /nfs/dbraw/zinc/02/94/84/360029484.db2.gz NSEFYZZDAYSJJP-HUUCEWRRSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)CC[C@H]2CCCC[NH+]2C)C1=O ZINC000337184326 360029488 /nfs/dbraw/zinc/02/94/88/360029488.db2.gz NSEFYZZDAYSJJP-HUUCEWRRSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)CC[C@H]2CCCC[N@@H+]2C)C1=O ZINC000337184326 360029490 /nfs/dbraw/zinc/02/94/90/360029490.db2.gz NSEFYZZDAYSJJP-HUUCEWRRSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)CC[C@H]2CCCC[N@H+]2C)C1=O ZINC000337184326 360029494 /nfs/dbraw/zinc/02/94/94/360029494.db2.gz NSEFYZZDAYSJJP-HUUCEWRRSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CCC([NH2+]C(C)C)CC2)C1=O ZINC000337165230 360007268 /nfs/dbraw/zinc/00/72/68/360007268.db2.gz YNBQICDJDAZUOO-AWEZNQCLSA-N 2 2 265.401 1.236 20 30 CDEDLP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C[C@H](C)C#N ZINC000157634781 360939689 /nfs/dbraw/zinc/93/96/89/360939689.db2.gz WGCPTBGXWKMSKP-CYBMUJFWSA-N 2 2 280.416 1.068 20 30 CDEDLP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)C[C@H](C)C#N ZINC000157634781 360939691 /nfs/dbraw/zinc/93/96/91/360939691.db2.gz WGCPTBGXWKMSKP-CYBMUJFWSA-N 2 2 280.416 1.068 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000435745876 361440718 /nfs/dbraw/zinc/44/07/18/361440718.db2.gz RBJADPOAEMLGJR-TUVASFSCSA-N 2 2 252.402 1.897 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000435745876 361440722 /nfs/dbraw/zinc/44/07/22/361440722.db2.gz RBJADPOAEMLGJR-TUVASFSCSA-N 2 2 252.402 1.897 20 30 CDEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000582249209 364077701 /nfs/dbraw/zinc/07/77/01/364077701.db2.gz IFVBOZZUFDYSPL-HNNXBMFYSA-N 2 2 258.369 1.869 20 30 CDEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000582249209 364077704 /nfs/dbraw/zinc/07/77/04/364077704.db2.gz IFVBOZZUFDYSPL-HNNXBMFYSA-N 2 2 258.369 1.869 20 30 CDEDLP CCN(CC)C(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912380 365162704 /nfs/dbraw/zinc/16/27/04/365162704.db2.gz JGLYKJPLPHMMTN-UHFFFAOYSA-N 2 2 272.356 1.424 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000564857664 365522800 /nfs/dbraw/zinc/52/28/00/365522800.db2.gz OFPJNBLVASRCCU-WMZOPIPTSA-N 2 2 299.418 1.980 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000564857664 365522809 /nfs/dbraw/zinc/52/28/09/365522809.db2.gz OFPJNBLVASRCCU-WMZOPIPTSA-N 2 2 299.418 1.980 20 30 CDEDLP C=CCNC(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000217189052 370427866 /nfs/dbraw/zinc/42/78/66/370427866.db2.gz KNCRLSLRRHMCJK-HOTGVXAUSA-N 2 2 293.455 1.875 20 30 CDEDLP C=CCNC(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000217189052 370427872 /nfs/dbraw/zinc/42/78/72/370427872.db2.gz KNCRLSLRRHMCJK-HOTGVXAUSA-N 2 2 293.455 1.875 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000217189052 370427877 /nfs/dbraw/zinc/42/78/77/370427877.db2.gz KNCRLSLRRHMCJK-HOTGVXAUSA-N 2 2 293.455 1.875 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000217189052 370427883 /nfs/dbraw/zinc/42/78/83/370427883.db2.gz KNCRLSLRRHMCJK-HOTGVXAUSA-N 2 2 293.455 1.875 20 30 CDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(CO)o2)CC1 ZINC000174362935 372571099 /nfs/dbraw/zinc/57/10/99/372571099.db2.gz GNCTZADCNGMUMO-UHFFFAOYSA-N 2 2 250.342 1.512 20 30 CDEDLP C=CCNC(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000252129348 377663605 /nfs/dbraw/zinc/66/36/05/377663605.db2.gz KNCRLSLRRHMCJK-CVEARBPZSA-N 2 2 293.455 1.875 20 30 CDEDLP C=CCNC(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000252129348 377663612 /nfs/dbraw/zinc/66/36/12/377663612.db2.gz KNCRLSLRRHMCJK-CVEARBPZSA-N 2 2 293.455 1.875 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252129348 377663614 /nfs/dbraw/zinc/66/36/14/377663614.db2.gz KNCRLSLRRHMCJK-CVEARBPZSA-N 2 2 293.455 1.875 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252129348 377663619 /nfs/dbraw/zinc/66/36/19/377663619.db2.gz KNCRLSLRRHMCJK-CVEARBPZSA-N 2 2 293.455 1.875 20 30 CDEDLP Cc1cc(N2CCC3(CC[NH2+]C3)CC2)c(C#N)c[nH+]1 ZINC000574392826 391104951 /nfs/dbraw/zinc/10/49/51/391104951.db2.gz IAUDQUNLNRKVGB-UHFFFAOYSA-N 2 2 256.353 1.842 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC[NH+](CCOCCC#N)CC2)CCO1 ZINC000338924568 391232930 /nfs/dbraw/zinc/23/29/30/391232930.db2.gz IGVFSQPTUFQENS-CQSZACIVSA-N 2 2 281.400 1.102 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC[NH+](CCOCCC#N)CC2)CCO1 ZINC000338924568 391232931 /nfs/dbraw/zinc/23/29/31/391232931.db2.gz IGVFSQPTUFQENS-CQSZACIVSA-N 2 2 281.400 1.102 20 30 CDEDLP CCCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000330430776 391422859 /nfs/dbraw/zinc/42/28/59/391422859.db2.gz VQEXOMYWPNEGME-UHFFFAOYSA-N 2 2 298.431 1.231 20 30 CDEDLP CCCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000330430776 391422862 /nfs/dbraw/zinc/42/28/62/391422862.db2.gz VQEXOMYWPNEGME-UHFFFAOYSA-N 2 2 298.431 1.231 20 30 CDEDLP 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C=CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415090358 263272518 /nfs/dbraw/zinc/27/25/18/263272518.db2.gz AHFCOBSKFNEDLR-HNNXBMFYSA-N 2 2 262.353 1.329 20 30 CDEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000076897571 277564241 /nfs/dbraw/zinc/56/42/41/277564241.db2.gz GXIHBISLXSLLPA-AWEZNQCLSA-N 2 2 273.380 1.759 20 30 CDEDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CCC[NH2+]1 ZINC000423414411 292973726 /nfs/dbraw/zinc/97/37/26/292973726.db2.gz MUORIESDNRRGCW-BBRMVZONSA-N 2 2 273.380 1.977 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000563422865 328064224 /nfs/dbraw/zinc/06/42/24/328064224.db2.gz HHXWQSSKRILGJF-HIFRSBDPSA-N 3 2 251.418 1.886 20 30 CDEDLP CN(C(=[NH2+])NCC[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000262296101 328147918 /nfs/dbraw/zinc/14/79/18/328147918.db2.gz YQHBAYAGDOYOBE-UHFFFAOYSA-N 2 2 278.425 1.515 20 30 CDEDLP CN(C(=[NH2+])NCC[N@H+]1CCc2sccc2C1)C1CC1 ZINC000262296101 328147920 /nfs/dbraw/zinc/14/79/20/328147920.db2.gz 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1.146 20 30 CDEDLP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001753351730 1183987352 /nfs/dbraw/zinc/98/73/52/1183987352.db2.gz HCSSBPRFFCMOBK-CQSZACIVSA-N 2 2 288.395 1.146 20 30 CDEDLP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001753351730 1183987356 /nfs/dbraw/zinc/98/73/56/1183987356.db2.gz HCSSBPRFFCMOBK-CQSZACIVSA-N 2 2 288.395 1.146 20 30 CDEDLP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001753351730 1183987362 /nfs/dbraw/zinc/98/73/62/1183987362.db2.gz HCSSBPRFFCMOBK-CQSZACIVSA-N 2 2 288.395 1.146 20 30 CDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752411541 1184859440 /nfs/dbraw/zinc/85/94/40/1184859440.db2.gz JZWSXALTCHWYBH-JKSUJKDBSA-N 2 2 285.391 1.113 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752411541 1184859446 /nfs/dbraw/zinc/85/94/46/1184859446.db2.gz JZWSXALTCHWYBH-JKSUJKDBSA-N 2 2 285.391 1.113 20 30 CDEDLP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753815377 1185343442 /nfs/dbraw/zinc/34/34/42/1185343442.db2.gz MCOAXMLSEQLMAT-STQMWFEESA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001755319952 1185914383 /nfs/dbraw/zinc/91/43/83/1185914383.db2.gz VRNYKXWPACOIDH-STQMWFEESA-N 2 2 278.400 1.743 20 30 CDEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001755319952 1185914385 /nfs/dbraw/zinc/91/43/85/1185914385.db2.gz VRNYKXWPACOIDH-STQMWFEESA-N 2 2 278.400 1.743 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046554478 755833046 /nfs/dbraw/zinc/83/30/46/755833046.db2.gz QHFATCQVPLHZCQ-GOEBONIOSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046554478 755833053 /nfs/dbraw/zinc/83/30/53/755833053.db2.gz QHFATCQVPLHZCQ-GOEBONIOSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046554478 755833055 /nfs/dbraw/zinc/83/30/55/755833055.db2.gz QHFATCQVPLHZCQ-GOEBONIOSA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046554478 755833057 /nfs/dbraw/zinc/83/30/57/755833057.db2.gz QHFATCQVPLHZCQ-GOEBONIOSA-N 2 2 277.412 1.075 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046834568 753845603 /nfs/dbraw/zinc/84/56/03/753845603.db2.gz SXZQDAKUKMNTNN-OCCSQVGLSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046834568 753845605 /nfs/dbraw/zinc/84/56/05/753845605.db2.gz SXZQDAKUKMNTNN-OCCSQVGLSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046834568 753845606 /nfs/dbraw/zinc/84/56/06/753845606.db2.gz SXZQDAKUKMNTNN-OCCSQVGLSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046834568 753845607 /nfs/dbraw/zinc/84/56/07/753845607.db2.gz SXZQDAKUKMNTNN-OCCSQVGLSA-N 2 2 285.819 1.271 20 30 CDEDLP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001031968069 753874451 /nfs/dbraw/zinc/87/44/51/753874451.db2.gz MNNNSBHFZUMPLP-CYBMUJFWSA-N 2 2 288.395 1.454 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008343511 753910130 /nfs/dbraw/zinc/91/01/30/753910130.db2.gz OCTUUWFCTPDJLL-CQSZACIVSA-N 2 2 291.395 1.721 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008343511 753910140 /nfs/dbraw/zinc/91/01/40/753910140.db2.gz OCTUUWFCTPDJLL-CQSZACIVSA-N 2 2 291.395 1.721 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001037941384 754008640 /nfs/dbraw/zinc/00/86/40/754008640.db2.gz DYGHOEWGSBIJPP-KBPBESRZSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)CC[NH+]1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001030618570 754114992 /nfs/dbraw/zinc/11/49/92/754114992.db2.gz KSXNFMRPNODWCE-UHFFFAOYSA-N 2 2 284.363 1.715 20 30 CDEDLP C=CCN1CCN(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000840026246 754352142 /nfs/dbraw/zinc/35/21/42/754352142.db2.gz FKSOLWDRKSMICD-GJZGRUSLSA-N 2 2 292.427 1.284 20 30 CDEDLP C=CCN1CCN(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000840026246 754352147 /nfs/dbraw/zinc/35/21/47/754352147.db2.gz FKSOLWDRKSMICD-GJZGRUSLSA-N 2 2 292.427 1.284 20 30 CDEDLP C=CCN1CCN(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000840026246 754352154 /nfs/dbraw/zinc/35/21/54/754352154.db2.gz FKSOLWDRKSMICD-GJZGRUSLSA-N 2 2 292.427 1.284 20 30 CDEDLP C=CCN1CCN(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000840026246 754352162 /nfs/dbraw/zinc/35/21/62/754352162.db2.gz FKSOLWDRKSMICD-GJZGRUSLSA-N 2 2 292.427 1.284 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H]1CCCO1 ZINC000775573629 754397660 /nfs/dbraw/zinc/39/76/60/754397660.db2.gz IKDHAANXMSVHPW-GJZGRUSLSA-N 2 2 250.386 1.630 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996568953 754462642 /nfs/dbraw/zinc/46/26/42/754462642.db2.gz PJGMWFRPSGVSPZ-CQSZACIVSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CCC[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989584689 754530689 /nfs/dbraw/zinc/53/06/89/754530689.db2.gz LGLOCYDHIKYTMT-UHFFFAOYSA-N 2 2 290.411 1.463 20 30 CDEDLP C=CCC[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989584689 754530698 /nfs/dbraw/zinc/53/06/98/754530698.db2.gz LGLOCYDHIKYTMT-UHFFFAOYSA-N 2 2 290.411 1.463 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000986628110 754530713 /nfs/dbraw/zinc/53/07/13/754530713.db2.gz IXMODDJVFKEALA-QWHCGFSZSA-N 2 2 296.802 1.605 20 30 CDEDLP COc1cccc([C@H](CNC(=[NH2+])N(C)C)[NH+](C)C)c1 ZINC000170906473 754608755 /nfs/dbraw/zinc/60/87/55/754608755.db2.gz HOFYAOYFINYXJI-ZDUSSCGKSA-N 2 2 264.373 1.174 20 30 CDEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001026411348 754775596 /nfs/dbraw/zinc/77/55/96/754775596.db2.gz VGGIARHKYPIPCB-MELADBBJSA-N 2 2 288.395 1.273 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001044792528 754818936 /nfs/dbraw/zinc/81/89/36/754818936.db2.gz KRCSPYHJQTUHSN-NWDGAFQWSA-N 2 2 296.802 1.674 20 30 CDEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000817982791 754889441 /nfs/dbraw/zinc/88/94/41/754889441.db2.gz HHHZDHRSVWPCAJ-CJNGLKHVSA-N 2 2 274.364 1.338 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001017617732 755239349 /nfs/dbraw/zinc/23/93/49/755239349.db2.gz SKZGWYJZEPVEST-GASCZTMLSA-N 2 2 291.439 1.722 20 30 CDEDLP C#C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000848909931 755302962 /nfs/dbraw/zinc/30/29/62/755302962.db2.gz DPECOXMUVQKDPU-CVEARBPZSA-N 2 2 264.413 1.877 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016108160 755367483 /nfs/dbraw/zinc/36/74/83/755367483.db2.gz SGWGQERLRICZBZ-LBPRGKRZSA-N 2 2 262.357 1.027 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016108160 755367490 /nfs/dbraw/zinc/36/74/90/755367490.db2.gz SGWGQERLRICZBZ-LBPRGKRZSA-N 2 2 262.357 1.027 20 30 CDEDLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000783299914 755689146 /nfs/dbraw/zinc/68/91/46/755689146.db2.gz GWMRYDGXTQTMHY-UHFFFAOYSA-N 2 2 258.369 1.916 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001018305257 755768661 /nfs/dbraw/zinc/76/86/61/755768661.db2.gz MAKNNTZXELNURP-FPCVCCKLSA-N 2 2 291.439 1.720 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001018305257 755768673 /nfs/dbraw/zinc/76/86/73/755768673.db2.gz MAKNNTZXELNURP-FPCVCCKLSA-N 2 2 291.439 1.720 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CC ZINC001037993523 755844681 /nfs/dbraw/zinc/84/46/81/755844681.db2.gz WUGUQABJASNWSI-KBPBESRZSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001016931300 756305762 /nfs/dbraw/zinc/30/57/62/756305762.db2.gz RFKNEJIZEMFFHJ-CQSZACIVSA-N 2 2 288.395 1.119 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994297497 756541016 /nfs/dbraw/zinc/54/10/16/756541016.db2.gz GVTVRQIUABOWQG-STQMWFEESA-N 2 2 276.384 1.416 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994297497 756541026 /nfs/dbraw/zinc/54/10/26/756541026.db2.gz GVTVRQIUABOWQG-STQMWFEESA-N 2 2 276.384 1.416 20 30 CDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039301258 756796141 /nfs/dbraw/zinc/79/61/41/756796141.db2.gz FJUPCMPTUOXRJU-LQDVMPOASA-N 2 2 286.379 1.087 20 30 CDEDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1C#N ZINC000819182150 756820476 /nfs/dbraw/zinc/82/04/76/756820476.db2.gz JFGGDKMGQRDPNS-OAHLLOKOSA-N 2 2 289.379 1.112 20 30 CDEDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1C#N ZINC000819182150 756820477 /nfs/dbraw/zinc/82/04/77/756820477.db2.gz JFGGDKMGQRDPNS-OAHLLOKOSA-N 2 2 289.379 1.112 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022285414 756841700 /nfs/dbraw/zinc/84/17/00/756841700.db2.gz HSUCDISTISALGB-BETUJISGSA-N 2 2 284.363 1.989 20 30 CDEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000819283738 756881554 /nfs/dbraw/zinc/88/15/54/756881554.db2.gz ITAPRVVJZPNUPK-IRXDYDNUSA-N 2 2 274.408 1.727 20 30 CDEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000819283738 756881558 /nfs/dbraw/zinc/88/15/58/756881558.db2.gz ITAPRVVJZPNUPK-IRXDYDNUSA-N 2 2 274.408 1.727 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001019181491 756881748 /nfs/dbraw/zinc/88/17/48/756881748.db2.gz LFVDRQSGEGAAHG-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027631931 757366823 /nfs/dbraw/zinc/36/68/23/757366823.db2.gz DZQVFBCMQNQIOO-GFCCVEGCSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027631931 757366835 /nfs/dbraw/zinc/36/68/35/757366835.db2.gz DZQVFBCMQNQIOO-GFCCVEGCSA-N 2 2 262.357 1.061 20 30 CDEDLP C[N@H+](C[C@H](O)CC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000809574214 758289659 /nfs/dbraw/zinc/28/96/59/758289659.db2.gz GSDNAKUOKKAAQP-DLBZAZTESA-N 2 2 287.407 1.715 20 30 CDEDLP C[N@@H+](C[C@H](O)CC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000809574214 758289669 /nfs/dbraw/zinc/28/96/69/758289669.db2.gz GSDNAKUOKKAAQP-DLBZAZTESA-N 2 2 287.407 1.715 20 30 CDEDLP C[NH+](C[C@H](O)CC#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000809574214 758289676 /nfs/dbraw/zinc/28/96/76/758289676.db2.gz GSDNAKUOKKAAQP-DLBZAZTESA-N 2 2 287.407 1.715 20 30 CDEDLP C[NH+](C[C@H](O)CC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809574214 758289691 /nfs/dbraw/zinc/28/96/91/758289691.db2.gz GSDNAKUOKKAAQP-DLBZAZTESA-N 2 2 287.407 1.715 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001043075193 758582394 /nfs/dbraw/zinc/58/23/94/758582394.db2.gz WXRZOLKSVHEAJJ-ZBFHGGJFSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043075193 758582396 /nfs/dbraw/zinc/58/23/96/758582396.db2.gz WXRZOLKSVHEAJJ-ZBFHGGJFSA-N 2 2 289.423 1.169 20 30 CDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999535738 758726125 /nfs/dbraw/zinc/72/61/25/758726125.db2.gz LQTVWARPKUFSEO-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000303884792 758775351 /nfs/dbraw/zinc/77/53/51/758775351.db2.gz MWCADTUMPCUADI-HIFRSBDPSA-N 2 2 292.427 1.537 20 30 CDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175478302 913625396 /nfs/dbraw/zinc/62/53/96/913625396.db2.gz JUUIYCLDRRNTFS-LBPRGKRZSA-N 2 2 264.373 1.403 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175629856 913697824 /nfs/dbraw/zinc/69/78/24/913697824.db2.gz LYORQXGWJHLPCN-UONOGXRCSA-N 2 2 290.411 1.486 20 30 CDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175629856 913697834 /nfs/dbraw/zinc/69/78/34/913697834.db2.gz LYORQXGWJHLPCN-UONOGXRCSA-N 2 2 290.411 1.486 20 30 CDEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176167399 913976443 /nfs/dbraw/zinc/97/64/43/913976443.db2.gz YUBFHYPPKOAIPR-CQSZACIVSA-N 2 2 292.427 1.803 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC=C ZINC001024486778 898078173 /nfs/dbraw/zinc/07/81/73/898078173.db2.gz IJZHJFSOMYBOND-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC=C ZINC001024486778 898078186 /nfs/dbraw/zinc/07/81/86/898078186.db2.gz IJZHJFSOMYBOND-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC=C ZINC001024486778 898078195 /nfs/dbraw/zinc/07/81/95/898078195.db2.gz IJZHJFSOMYBOND-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC=C ZINC001024486778 898078207 /nfs/dbraw/zinc/07/82/07/898078207.db2.gz IJZHJFSOMYBOND-HOTGVXAUSA-N 2 2 289.423 1.241 20 30 CDEDLP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)NO ZINC001168372471 910806896 /nfs/dbraw/zinc/80/68/96/910806896.db2.gz YJCQGURKLSROCM-FZMZJTMJSA-N 2 2 283.416 1.371 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106061687 912120343 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C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078735147 920422716 /nfs/dbraw/zinc/42/27/16/920422716.db2.gz XZFDKUCLHBEAGW-QWHCGFSZSA-N 2 2 274.368 1.155 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420665 920537384 /nfs/dbraw/zinc/53/73/84/920537384.db2.gz QKSXPCIBWMDIAG-GFCCVEGCSA-N 2 2 262.357 1.027 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187522746 920568224 /nfs/dbraw/zinc/56/82/24/920568224.db2.gz PMMPWYFFVTZKOP-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188346788 920985003 /nfs/dbraw/zinc/98/50/03/920985003.db2.gz VYNFSBHTFVWCRI-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048638 923409412 /nfs/dbraw/zinc/40/94/12/923409412.db2.gz TUTUAAGJVCLMCM-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048638 923409421 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C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001082796716 924998271 /nfs/dbraw/zinc/99/82/71/924998271.db2.gz IPWHCLNQHAQEKV-OUCADQQQSA-N 2 2 276.384 1.211 20 30 CDEDLP CC#CC[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201259714 926245822 /nfs/dbraw/zinc/24/58/22/926245822.db2.gz DLXIWZCGRACHPY-UHFFFAOYSA-N 2 2 296.374 1.780 20 30 CDEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552412 930259670 /nfs/dbraw/zinc/25/96/70/930259670.db2.gz FOVLZCPAQSCTAC-OLZOCXBDSA-N 2 2 278.400 1.791 20 30 CDEDLP C=CC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115788478 937419759 /nfs/dbraw/zinc/41/97/59/937419759.db2.gz HXXYIRIMJPDHGU-UHFFFAOYSA-N 2 2 276.384 1.547 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945199 930553266 /nfs/dbraw/zinc/55/32/66/930553266.db2.gz WJLLSHZKMOLBLG-OLZOCXBDSA-N 2 2 278.400 1.412 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001091103869 931822430 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C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919573 940112163 /nfs/dbraw/zinc/11/21/63/940112163.db2.gz YZOFYYZLYVLBOL-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919573 940112166 /nfs/dbraw/zinc/11/21/66/940112166.db2.gz YZOFYYZLYVLBOL-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C#CCCC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209264068 940453991 /nfs/dbraw/zinc/45/39/91/940453991.db2.gz VFNDBUUUZNUIJX-IRXDYDNUSA-N 2 2 269.392 1.859 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836240 940645870 /nfs/dbraw/zinc/64/58/70/940645870.db2.gz INLMUKVBUHGUPQ-CYBMUJFWSA-N 2 2 276.384 1.499 20 30 CDEDLP CC(C)(C#N)c1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001218581650 941240499 /nfs/dbraw/zinc/24/04/99/941240499.db2.gz OGSPZPUMBZHVJC-HSMVNMDESA-N 2 2 299.378 1.043 20 30 CDEDLP N#Cc1sccc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218624212 941246651 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CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236173193 944423119 /nfs/dbraw/zinc/42/31/19/944423119.db2.gz MRPVVOKCIUOTFQ-CQSZACIVSA-N 2 2 258.369 1.569 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255111559 947740841 /nfs/dbraw/zinc/74/08/41/947740841.db2.gz RMOXWEOHWBKVHN-CVEARBPZSA-N 2 2 270.380 1.058 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255111559 947740850 /nfs/dbraw/zinc/74/08/50/947740850.db2.gz RMOXWEOHWBKVHN-CVEARBPZSA-N 2 2 270.380 1.058 20 30 CDEDLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001246401111 948157464 /nfs/dbraw/zinc/15/74/64/948157464.db2.gz KDRXNUOIFMRNAX-WFASDCNBSA-N 2 2 289.379 1.359 20 30 CDEDLP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246710473 948413389 /nfs/dbraw/zinc/41/33/89/948413389.db2.gz WSJVRHXMBAWMPA-RDJZCZTQSA-N 2 2 291.439 1.772 20 30 CDEDLP C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246710473 948413391 /nfs/dbraw/zinc/41/33/91/948413391.db2.gz WSJVRHXMBAWMPA-RDJZCZTQSA-N 2 2 291.439 1.772 20 30 CDEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319608580 958652187 /nfs/dbraw/zinc/65/21/87/958652187.db2.gz RTFHRAARCZBMLU-CQSZACIVSA-N 2 2 286.379 1.016 20 30 CDEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319608580 958652203 /nfs/dbraw/zinc/65/22/03/958652203.db2.gz RTFHRAARCZBMLU-CQSZACIVSA-N 2 2 286.379 1.016 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001438528623 963477859 /nfs/dbraw/zinc/47/78/59/963477859.db2.gz OFXCQWHQIFULKY-GHMZBOCLSA-N 2 2 298.818 1.683 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001438528623 963477862 /nfs/dbraw/zinc/47/78/62/963477862.db2.gz OFXCQWHQIFULKY-GHMZBOCLSA-N 2 2 298.818 1.683 20 30 CDEDLP C#CC[NH2+]CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001521454936 970299739 /nfs/dbraw/zinc/29/97/39/970299739.db2.gz OCQBEILWJQCRNM-UHFFFAOYSA-N 2 2 282.347 1.855 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001402176655 976163485 /nfs/dbraw/zinc/16/34/85/976163485.db2.gz KRIRAWPSDPAIOV-LBPRGKRZSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001402176655 976163496 /nfs/dbraw/zinc/16/34/96/976163496.db2.gz KRIRAWPSDPAIOV-LBPRGKRZSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001402176655 976163506 /nfs/dbraw/zinc/16/35/06/976163506.db2.gz KRIRAWPSDPAIOV-LBPRGKRZSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001402176655 976163516 /nfs/dbraw/zinc/16/35/16/976163516.db2.gz KRIRAWPSDPAIOV-LBPRGKRZSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001380292113 976333342 /nfs/dbraw/zinc/33/33/42/976333342.db2.gz NRDVIJNQPGKYMT-GFCCVEGCSA-N 2 2 296.802 1.296 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001408254465 976980164 /nfs/dbraw/zinc/98/01/64/976980164.db2.gz ZMAFEJLEKYHXNA-LBPRGKRZSA-N 2 2 298.818 1.590 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001400573266 977099979 /nfs/dbraw/zinc/09/99/79/977099979.db2.gz LRHYAIHBKDCLFC-UHFFFAOYSA-N 2 2 299.846 1.663 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001393887513 977946548 /nfs/dbraw/zinc/94/65/48/977946548.db2.gz XCUGGULTMSBUEY-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001393887513 977946555 /nfs/dbraw/zinc/94/65/55/977946555.db2.gz XCUGGULTMSBUEY-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001393887513 977946563 /nfs/dbraw/zinc/94/65/63/977946563.db2.gz XCUGGULTMSBUEY-UONOGXRCSA-N 2 2 299.846 1.756 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000289889736 361883037 /nfs/dbraw/zinc/88/30/37/361883037.db2.gz MFXWDIWYQBPVJX-GOSISDBHSA-N 2 2 299.418 1.978 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000289889736 361883041 /nfs/dbraw/zinc/88/30/41/361883041.db2.gz MFXWDIWYQBPVJX-GOSISDBHSA-N 2 2 299.418 1.978 20 30 CDEDLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000289889736 361883049 /nfs/dbraw/zinc/88/30/49/361883049.db2.gz MFXWDIWYQBPVJX-GOSISDBHSA-N 2 2 299.418 1.978 20 30 CDEDLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000289889736 361883058 /nfs/dbraw/zinc/88/30/58/361883058.db2.gz MFXWDIWYQBPVJX-GOSISDBHSA-N 2 2 299.418 1.978 20 30 CDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000595415356 343048662 /nfs/dbraw/zinc/04/86/62/343048662.db2.gz PJSGWKOQXFIAOY-BBRMVZONSA-N 2 2 275.396 1.910 20 30 CDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000595415356 343048664 /nfs/dbraw/zinc/04/86/64/343048664.db2.gz PJSGWKOQXFIAOY-BBRMVZONSA-N 2 2 275.396 1.910 20 30 CDEDLP Cn1cc([C@@H]2C[N@H+](CCc3ccc(C#N)cc3)C[C@H]2[NH3+])cn1 ZINC000595892290 343182063 /nfs/dbraw/zinc/18/20/63/343182063.db2.gz IIVHLSRSFDGGJX-DLBZAZTESA-N 2 2 295.390 1.261 20 30 CDEDLP Cn1cc([C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)C[C@H]2[NH3+])cn1 ZINC000595892290 343182065 /nfs/dbraw/zinc/18/20/65/343182065.db2.gz IIVHLSRSFDGGJX-DLBZAZTESA-N 2 2 295.390 1.261 20 30 CDEDLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602545498 344462122 /nfs/dbraw/zinc/46/21/22/344462122.db2.gz DKHCYJAGCIJPJC-LSDHHAIUSA-N 2 2 295.427 1.396 20 30 CDEDLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602545498 344462125 /nfs/dbraw/zinc/46/21/25/344462125.db2.gz DKHCYJAGCIJPJC-LSDHHAIUSA-N 2 2 295.427 1.396 20 30 CDEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000602652449 344516559 /nfs/dbraw/zinc/51/65/59/344516559.db2.gz LDFLKVMHZSZWLF-CVEARBPZSA-N 2 2 279.428 1.970 20 30 CDEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000602652449 344516561 /nfs/dbraw/zinc/51/65/61/344516561.db2.gz LDFLKVMHZSZWLF-CVEARBPZSA-N 2 2 279.428 1.970 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602843372 344622412 /nfs/dbraw/zinc/62/24/12/344622412.db2.gz UYNLBMRXGIZHQV-IRXDYDNUSA-N 2 2 287.407 1.905 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602843372 344622414 /nfs/dbraw/zinc/62/24/14/344622414.db2.gz UYNLBMRXGIZHQV-IRXDYDNUSA-N 2 2 287.407 1.905 20 30 CDEDLP N#CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000566232285 370653674 /nfs/dbraw/zinc/65/36/74/370653674.db2.gz MCGXLPUXMDCJNX-HZPDHXFCSA-N 2 2 273.380 1.373 20 30 CDEDLP N#CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000566232285 370653676 /nfs/dbraw/zinc/65/36/76/370653676.db2.gz MCGXLPUXMDCJNX-HZPDHXFCSA-N 2 2 273.380 1.373 20 30 CDEDLP N#Cc1ccccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000312927597 350803313 /nfs/dbraw/zinc/80/33/13/350803313.db2.gz DSWMADVSQOTVIJ-MRXNPFEDSA-N 2 2 270.380 1.038 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000154759619 188159795 /nfs/dbraw/zinc/15/97/95/188159795.db2.gz NFGIAHSNESZASJ-UHFFFAOYSA-N 2 2 288.395 1.077 20 30 CDEDLP CN(C)C(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000170913266 365162992 /nfs/dbraw/zinc/16/29/92/365162992.db2.gz KNBHVPNNMZALLU-LBPRGKRZSA-N 2 2 252.337 1.305 20 30 CDEDLP Cc1cc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(C#N)c[nH+]1 ZINC000333589872 375093212 /nfs/dbraw/zinc/09/32/12/375093212.db2.gz OWXPSCZIVBOLPR-ZBFHGGJFSA-N 2 2 286.379 1.594 20 30 CDEDLP COCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174337633 379455337 /nfs/dbraw/zinc/45/53/37/379455337.db2.gz CZHNMOZNPKRGCD-UHFFFAOYSA-N 2 2 277.368 1.742 20 30 CDEDLP C#Cc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000288985996 197206322 /nfs/dbraw/zinc/20/63/22/197206322.db2.gz CUEMLCIDKKXXDY-UHFFFAOYSA-N 2 2 272.392 1.556 20 30 CDEDLP C#Cc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000288985996 197206323 /nfs/dbraw/zinc/20/63/23/197206323.db2.gz CUEMLCIDKKXXDY-UHFFFAOYSA-N 2 2 272.392 1.556 20 30 CDEDLP N#CCCOCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000339023622 391242767 /nfs/dbraw/zinc/24/27/67/391242767.db2.gz LDLBZYNQFMZLHQ-CQSZACIVSA-N 2 2 261.325 1.465 20 30 CDEDLP N#CCCOCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000339023622 391242770 /nfs/dbraw/zinc/24/27/70/391242770.db2.gz LDLBZYNQFMZLHQ-CQSZACIVSA-N 2 2 261.325 1.465 20 30 CDEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C[N@@H+]1C1CC1 ZINC000191301681 130218933 /nfs/dbraw/zinc/21/89/33/130218933.db2.gz IRNFYUGOGCZZOL-AAEUAGOBSA-N 2 2 258.369 1.612 20 30 CDEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C[N@H+]1C1CC1 ZINC000191301681 130218934 /nfs/dbraw/zinc/21/89/34/130218934.db2.gz IRNFYUGOGCZZOL-AAEUAGOBSA-N 2 2 258.369 1.612 20 30 CDEDLP C#CCNC(NC[C@H](c1ccsc1)[NH+](C)C)=[NH+]C ZINC000262604461 391799204 /nfs/dbraw/zinc/79/92/04/391799204.db2.gz FOFRNMHGDKZBQR-GFCCVEGCSA-N 2 2 264.398 1.149 20 30 CDEDLP CN1CC[NH+]=C1NC[C@H](c1ccsc1)[NH+](C)C ZINC000262645448 391806892 /nfs/dbraw/zinc/80/68/92/391806892.db2.gz IZEOYOPDRFJHSW-LLVKDONJSA-N 2 2 252.387 1.242 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263693239 131310391 /nfs/dbraw/zinc/31/03/91/131310391.db2.gz KADFYTGQDXXTCF-UHFFFAOYSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263693239 131310392 /nfs/dbraw/zinc/31/03/92/131310392.db2.gz KADFYTGQDXXTCF-UHFFFAOYSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)CC(=O)NC)C(C)C ZINC000268847953 132076515 /nfs/dbraw/zinc/07/65/15/132076515.db2.gz VOVOVRGFASUJMD-LSDHHAIUSA-N 2 2 281.444 1.799 20 30 CDEDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(C#N)cc1 ZINC000423550790 392963854 /nfs/dbraw/zinc/96/38/54/392963854.db2.gz FXFLJIWBQPEQFR-GJZGRUSLSA-N 2 2 259.353 1.587 20 30 CDEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000067122407 139636363 /nfs/dbraw/zinc/63/63/63/139636363.db2.gz UXCAZZLKEJKVKT-KRWDZBQOSA-N 2 2 287.407 1.741 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655294 413337605 /nfs/dbraw/zinc/33/76/05/413337605.db2.gz LYIXYHPPIHSVLP-ZFWWWQNUSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655294 413337615 /nfs/dbraw/zinc/33/76/15/413337615.db2.gz LYIXYHPPIHSVLP-ZFWWWQNUSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655294 413337627 /nfs/dbraw/zinc/33/76/27/413337627.db2.gz LYIXYHPPIHSVLP-ZFWWWQNUSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655294 413337633 /nfs/dbraw/zinc/33/76/33/413337633.db2.gz LYIXYHPPIHSVLP-ZFWWWQNUSA-N 2 2 265.401 1.095 20 30 CDEDLP C[C@H]1C[NH+]=C(NCc2ccc(-n3cc[nH+]c3)c(F)c2)N1 ZINC000262675895 262782757 /nfs/dbraw/zinc/78/27/57/262782757.db2.gz TYJYXZZYBNIMEK-JTQLQIEISA-N 2 2 273.315 1.449 20 30 CDEDLP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000341894300 263366815 /nfs/dbraw/zinc/36/68/15/263366815.db2.gz ZXGYAGUHBVXVFN-MRXNPFEDSA-N 2 2 289.423 1.820 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1 ZINC000563215343 327969940 /nfs/dbraw/zinc/96/99/40/327969940.db2.gz GOWZXRGFSRXOFI-HUUCEWRRSA-N 2 2 277.412 1.505 20 30 CDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000424176944 330317397 /nfs/dbraw/zinc/31/73/97/330317397.db2.gz ZEGASNXTOAUBPE-GXTWGEPZSA-N 2 2 261.373 1.181 20 30 CDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000424176944 330317398 /nfs/dbraw/zinc/31/73/98/330317398.db2.gz ZEGASNXTOAUBPE-GXTWGEPZSA-N 2 2 261.373 1.181 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nn1 ZINC000424295784 330335998 /nfs/dbraw/zinc/33/59/98/330335998.db2.gz NJOVPYAIQSQNOG-OUCADQQQSA-N 2 2 263.389 1.282 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)nn1 ZINC000424295784 330335999 /nfs/dbraw/zinc/33/59/99/330335999.db2.gz NJOVPYAIQSQNOG-OUCADQQQSA-N 2 2 263.389 1.282 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000491616453 332243597 /nfs/dbraw/zinc/24/35/97/332243597.db2.gz JBLVXHKNPTZFNY-JKSUJKDBSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000491616453 332243599 /nfs/dbraw/zinc/24/35/99/332243599.db2.gz JBLVXHKNPTZFNY-JKSUJKDBSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000491670668 332277790 /nfs/dbraw/zinc/27/77/90/332277790.db2.gz ZMNFHWPRHJENKG-AWEZNQCLSA-N 2 2 270.380 1.940 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000491670668 332277791 /nfs/dbraw/zinc/27/77/91/332277791.db2.gz ZMNFHWPRHJENKG-AWEZNQCLSA-N 2 2 270.380 1.940 20 30 CDEDLP C=CC[C@H](CC)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576220825 335172502 /nfs/dbraw/zinc/17/25/02/335172502.db2.gz AGSTZMPUHVCUCV-LJISPDSOSA-N 2 2 270.417 1.401 20 30 CDEDLP C=CC[C@H](CC)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576220825 335172503 /nfs/dbraw/zinc/17/25/03/335172503.db2.gz AGSTZMPUHVCUCV-LJISPDSOSA-N 2 2 270.417 1.401 20 30 CDEDLP C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682360163 483198900 /nfs/dbraw/zinc/19/89/00/483198900.db2.gz NCLVNWUGKWVOEY-YOEHRIQHSA-N 2 2 293.455 1.873 20 30 CDEDLP C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682360163 483198904 /nfs/dbraw/zinc/19/89/04/483198904.db2.gz NCLVNWUGKWVOEY-YOEHRIQHSA-N 2 2 293.455 1.873 20 30 CDEDLP C=CCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000676639297 483548213 /nfs/dbraw/zinc/54/82/13/483548213.db2.gz JSEKAQKTZAMQIK-AWEZNQCLSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCCC[NH+]1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001113137147 1162111926 /nfs/dbraw/zinc/11/19/26/1162111926.db2.gz RMNNCOGPTYWUGU-UHFFFAOYSA-N 2 2 290.411 1.463 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156610 1162116407 /nfs/dbraw/zinc/11/64/07/1162116407.db2.gz OBQHMHSMRLGJRY-UHFFFAOYSA-N 2 2 293.455 1.971 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001113156610 1162116410 /nfs/dbraw/zinc/11/64/10/1162116410.db2.gz OBQHMHSMRLGJRY-UHFFFAOYSA-N 2 2 293.455 1.971 20 30 CDEDLP CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000329254003 529082231 /nfs/dbraw/zinc/08/22/31/529082231.db2.gz WPGXFGCNZJCJDL-LBPRGKRZSA-N 2 2 250.346 1.783 20 30 CDEDLP CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000329254003 529082236 /nfs/dbraw/zinc/08/22/36/529082236.db2.gz WPGXFGCNZJCJDL-LBPRGKRZSA-N 2 2 250.346 1.783 20 30 CDEDLP CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000329254003 529082240 /nfs/dbraw/zinc/08/22/40/529082240.db2.gz WPGXFGCNZJCJDL-LBPRGKRZSA-N 2 2 250.346 1.783 20 30 CDEDLP CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000329254003 529082245 /nfs/dbraw/zinc/08/22/45/529082245.db2.gz WPGXFGCNZJCJDL-LBPRGKRZSA-N 2 2 250.346 1.783 20 30 CDEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271330119 536389717 /nfs/dbraw/zinc/38/97/17/536389717.db2.gz VJYRGKITIRYNCW-INIZCTEOSA-N 2 2 299.422 1.560 20 30 CDEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271330119 536389718 /nfs/dbraw/zinc/38/97/18/536389718.db2.gz 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C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001752751656 1184904515 /nfs/dbraw/zinc/90/45/15/1184904515.db2.gz ZYZCMBCHOKRVMT-BETUJISGSA-N 2 2 262.357 1.086 20 30 CDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001752959891 1184976395 /nfs/dbraw/zinc/97/63/95/1184976395.db2.gz YKKNJEZZVJPPJC-CYBMUJFWSA-N 2 2 288.395 1.149 20 30 CDEDLP C=C(C)C[NH2+]C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754284344 1185550672 /nfs/dbraw/zinc/55/06/72/1185550672.db2.gz CZUYTLBUXAJFDT-STQMWFEESA-N 2 2 264.373 1.505 20 30 CDEDLP C#CC[NH2+]CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001754387232 1185605033 /nfs/dbraw/zinc/60/50/33/1185605033.db2.gz FDTRCTSHBPDIOP-UHFFFAOYSA-N 2 2 296.374 1.557 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001754587122 1185676664 /nfs/dbraw/zinc/67/66/64/1185676664.db2.gz CQQHUXRMPJUWKE-UHFFFAOYSA-N 2 2 279.428 1.581 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135136456 1164131110 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C#CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC000986543211 769327574 /nfs/dbraw/zinc/32/75/74/769327574.db2.gz IFPAXZYBJGJUME-STQMWFEESA-N 2 2 282.347 1.160 20 30 CDEDLP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)NC1CC1 ZINC000848983422 769488727 /nfs/dbraw/zinc/48/87/27/769488727.db2.gz DNWFSGIPJRPIDS-TXEJJXNPSA-N 2 2 282.432 1.202 20 30 CDEDLP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NC1CC1 ZINC000848983422 769488746 /nfs/dbraw/zinc/48/87/46/769488746.db2.gz DNWFSGIPJRPIDS-TXEJJXNPSA-N 2 2 282.432 1.202 20 30 CDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)C2)CC1 ZINC000837411123 769842753 /nfs/dbraw/zinc/84/27/53/769842753.db2.gz CLTFQKJSCZYTNN-AWEZNQCLSA-N 2 2 291.439 1.321 20 30 CDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)C2)CC1 ZINC000837411123 769842754 /nfs/dbraw/zinc/84/27/54/769842754.db2.gz CLTFQKJSCZYTNN-AWEZNQCLSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033593955 769881791 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30 CDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072082121 770890997 /nfs/dbraw/zinc/89/09/97/770890997.db2.gz WDUPWINXJRFLRY-UONOGXRCSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072082121 770891000 /nfs/dbraw/zinc/89/10/00/770891000.db2.gz WDUPWINXJRFLRY-UONOGXRCSA-N 2 2 299.846 1.804 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014597686 770992436 /nfs/dbraw/zinc/99/24/36/770992436.db2.gz VKCKKEULXVEORZ-CYBMUJFWSA-N 2 2 291.420 1.247 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014597686 770992473 /nfs/dbraw/zinc/99/24/73/770992473.db2.gz VKCKKEULXVEORZ-CYBMUJFWSA-N 2 2 291.420 1.247 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001036115851 771090420 /nfs/dbraw/zinc/09/04/20/771090420.db2.gz QOTKIYCUOWKKTD-KGLIPLIRSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001007645146 771180814 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1.169 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC ZINC001049529353 771823947 /nfs/dbraw/zinc/82/39/47/771823947.db2.gz LMDGXGNOEIRAFL-PMPSAXMXSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC ZINC001049529353 771823949 /nfs/dbraw/zinc/82/39/49/771823949.db2.gz LMDGXGNOEIRAFL-PMPSAXMXSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC ZINC001049529353 771823952 /nfs/dbraw/zinc/82/39/52/771823952.db2.gz LMDGXGNOEIRAFL-PMPSAXMXSA-N 2 2 289.423 1.169 20 30 CDEDLP CC(C)CCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000303791548 772044323 /nfs/dbraw/zinc/04/43/23/772044323.db2.gz XPUZWJJEGWYQLZ-CQSZACIVSA-N 2 2 284.448 1.294 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027891915 772123405 /nfs/dbraw/zinc/12/34/05/772123405.db2.gz LAANQTPLKSNLCO-MGPQQGTHSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027891915 772123417 /nfs/dbraw/zinc/12/34/17/772123417.db2.gz LAANQTPLKSNLCO-MGPQQGTHSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027891915 772123426 /nfs/dbraw/zinc/12/34/26/772123426.db2.gz LAANQTPLKSNLCO-MGPQQGTHSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027891915 772123439 /nfs/dbraw/zinc/12/34/39/772123439.db2.gz LAANQTPLKSNLCO-MGPQQGTHSA-N 2 2 299.846 1.660 20 30 CDEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000844172717 772314057 /nfs/dbraw/zinc/31/40/57/772314057.db2.gz WKPJVEXHPKCUFP-QWHCGFSZSA-N 2 2 291.399 1.435 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001043463331 772344526 /nfs/dbraw/zinc/34/45/26/772344526.db2.gz HKDXTINLDZPRHK-INIZCTEOSA-N 2 2 291.439 1.580 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001020312446 772452569 /nfs/dbraw/zinc/45/25/69/772452569.db2.gz KBSWDFKUZXDXKE-MGPQQGTHSA-N 2 2 288.395 1.258 20 30 CDEDLP CNC(NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)=[NH+]C ZINC000849032252 772599728 /nfs/dbraw/zinc/59/97/28/772599728.db2.gz GDHIGELIHIJIMG-ZDUSSCGKSA-N 2 2 280.441 1.806 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994298425 772638099 /nfs/dbraw/zinc/63/80/99/772638099.db2.gz NDPWOELYIBULDC-KBPBESRZSA-N 2 2 288.395 1.253 20 30 CDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994298425 772638102 /nfs/dbraw/zinc/63/81/02/772638102.db2.gz NDPWOELYIBULDC-KBPBESRZSA-N 2 2 288.395 1.253 20 30 CDEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000305110887 772696927 /nfs/dbraw/zinc/69/69/27/772696927.db2.gz FWIVDUOSODSJST-HIFRSBDPSA-N 2 2 276.380 1.272 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031050086 772729904 /nfs/dbraw/zinc/72/99/04/772729904.db2.gz AACGYPKEBYKALX-OAHLLOKOSA-N 2 2 279.428 1.626 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681422 772731358 /nfs/dbraw/zinc/73/13/58/772731358.db2.gz RABUKXZUQVYXQA-DGCLKSJQSA-N 2 2 285.819 1.127 20 30 CDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681422 772731361 /nfs/dbraw/zinc/73/13/61/772731361.db2.gz RABUKXZUQVYXQA-DGCLKSJQSA-N 2 2 285.819 1.127 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC ZINC001039648423 772827679 /nfs/dbraw/zinc/82/76/79/772827679.db2.gz NMKJSNBRICVRHC-XHSDSOJGSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC ZINC001039648423 772827680 /nfs/dbraw/zinc/82/76/80/772827680.db2.gz NMKJSNBRICVRHC-XHSDSOJGSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC ZINC001039648423 772827681 /nfs/dbraw/zinc/82/76/81/772827681.db2.gz NMKJSNBRICVRHC-XHSDSOJGSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC ZINC001039648423 772827682 /nfs/dbraw/zinc/82/76/82/772827682.db2.gz NMKJSNBRICVRHC-XHSDSOJGSA-N 2 2 289.423 1.169 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000995891406 772882970 /nfs/dbraw/zinc/88/29/70/772882970.db2.gz KBAKSHCGOUJUEN-CQSZACIVSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000995891406 772882971 /nfs/dbraw/zinc/88/29/71/772882971.db2.gz KBAKSHCGOUJUEN-CQSZACIVSA-N 2 2 290.411 1.745 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cncc(OCC)c1 ZINC000883131326 772986726 /nfs/dbraw/zinc/98/67/26/772986726.db2.gz VZRQHULQLXMUHO-UHFFFAOYSA-N 2 2 261.369 1.525 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cncc(OCC)c1 ZINC000883131326 772986729 /nfs/dbraw/zinc/98/67/29/772986729.db2.gz VZRQHULQLXMUHO-UHFFFAOYSA-N 2 2 261.369 1.525 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015623100 773033598 /nfs/dbraw/zinc/03/35/98/773033598.db2.gz OQRSCCGMAWRGRZ-AWEZNQCLSA-N 2 2 289.379 1.169 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015623100 773033602 /nfs/dbraw/zinc/03/36/02/773033602.db2.gz OQRSCCGMAWRGRZ-AWEZNQCLSA-N 2 2 289.379 1.169 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC000101657018 773166528 /nfs/dbraw/zinc/16/65/28/773166528.db2.gz NDUXGVSVZOASNA-UHFFFAOYSA-N 2 2 288.395 1.139 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996357295 773232374 /nfs/dbraw/zinc/23/23/74/773232374.db2.gz XCIRENQMEDXHFY-LBPRGKRZSA-N 2 2 296.802 1.531 20 30 CDEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)CC#N)C2)CC1 ZINC000929421890 773480976 /nfs/dbraw/zinc/48/09/76/773480976.db2.gz NXVUDZDBYWFLJW-HZPDHXFCSA-N 2 2 279.428 1.705 20 30 CDEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)CC#N)C2)CC1 ZINC000929421890 773480997 /nfs/dbraw/zinc/48/09/97/773480997.db2.gz NXVUDZDBYWFLJW-HZPDHXFCSA-N 2 2 279.428 1.705 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996565117 773685524 /nfs/dbraw/zinc/68/55/24/773685524.db2.gz XCDXZXORRGDUOI-AWEZNQCLSA-N 2 2 290.411 1.663 20 30 CDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104729440 898926868 /nfs/dbraw/zinc/92/68/68/898926868.db2.gz VUZUDICCWPOLQQ-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800859 914318469 /nfs/dbraw/zinc/31/84/69/914318469.db2.gz MLBZMHYDOMLWND-CHWSQXEVSA-N 2 2 276.384 1.212 20 30 CDEDLP CC#CC[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167900347 901827629 /nfs/dbraw/zinc/82/76/29/901827629.db2.gz ILKLBRJVKIIEGD-UHFFFAOYSA-N 2 2 288.395 1.160 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001567874237 1169035135 /nfs/dbraw/zinc/03/51/35/1169035135.db2.gz VEUROOYSRYYBPS-AWEZNQCLSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001567874237 1169035145 /nfs/dbraw/zinc/03/51/45/1169035145.db2.gz VEUROOYSRYYBPS-AWEZNQCLSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001567874237 1169035154 /nfs/dbraw/zinc/03/51/54/1169035154.db2.gz VEUROOYSRYYBPS-AWEZNQCLSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001567874237 1169035164 /nfs/dbraw/zinc/03/51/64/1169035164.db2.gz VEUROOYSRYYBPS-AWEZNQCLSA-N 2 2 276.384 1.499 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001088635589 908713808 /nfs/dbraw/zinc/71/38/08/908713808.db2.gz DYORUDVOYQPTSA-SYQHCUMBSA-N 2 2 288.395 1.668 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001088635589 908713810 /nfs/dbraw/zinc/71/38/10/908713810.db2.gz DYORUDVOYQPTSA-SYQHCUMBSA-N 2 2 288.395 1.668 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001088635589 908713821 /nfs/dbraw/zinc/71/38/21/908713821.db2.gz DYORUDVOYQPTSA-SYQHCUMBSA-N 2 2 288.395 1.668 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001088635589 908713828 /nfs/dbraw/zinc/71/38/28/908713828.db2.gz DYORUDVOYQPTSA-SYQHCUMBSA-N 2 2 288.395 1.668 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172246689 911514733 /nfs/dbraw/zinc/51/47/33/911514733.db2.gz OXBSYQYMCZAURD-ZDUSSCGKSA-N 2 2 253.390 1.769 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202856400 936559325 /nfs/dbraw/zinc/55/93/25/936559325.db2.gz KZHYWNVZRSFIAU-STQMWFEESA-N 2 2 288.395 1.545 20 30 CDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185371867 919579383 /nfs/dbraw/zinc/57/93/83/919579383.db2.gz VNDIMBJZALHKBK-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586127 919673003 /nfs/dbraw/zinc/67/30/03/919673003.db2.gz DUWJHTAJTKALBF-CHWSQXEVSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001185967926 919833280 /nfs/dbraw/zinc/83/32/80/919833280.db2.gz FNBAKFQIYGIMJR-LSDHHAIUSA-N 2 2 290.411 1.991 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420175 920533432 /nfs/dbraw/zinc/53/34/32/920533432.db2.gz CTUKHLDEGIDCJY-GXTWGEPZSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696620 923866484 /nfs/dbraw/zinc/86/64/84/923866484.db2.gz TZNJUXKXHWOESA-CQSZACIVSA-N 2 2 290.411 1.760 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696620 923866497 /nfs/dbraw/zinc/86/64/97/923866497.db2.gz TZNJUXKXHWOESA-CQSZACIVSA-N 2 2 290.411 1.760 20 30 CDEDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001205842411 925440437 /nfs/dbraw/zinc/44/04/37/925440437.db2.gz NJOBBGFCIHKRMB-FZMZJTMJSA-N 2 2 259.353 1.823 20 30 CDEDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001205842411 925440441 /nfs/dbraw/zinc/44/04/41/925440441.db2.gz NJOBBGFCIHKRMB-FZMZJTMJSA-N 2 2 259.353 1.823 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001410488673 925809883 /nfs/dbraw/zinc/80/98/83/925809883.db2.gz HKGSHGDERNZJQS-SNVBAGLBSA-N 2 2 284.791 1.450 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102174151 937043761 /nfs/dbraw/zinc/04/37/61/937043761.db2.gz BJBYFNTZSSRGNI-ZIAGYGMSSA-N 2 2 290.411 1.223 20 30 CDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102174151 937043763 /nfs/dbraw/zinc/04/37/63/937043763.db2.gz BJBYFNTZSSRGNI-ZIAGYGMSSA-N 2 2 290.411 1.223 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085638997 926239674 /nfs/dbraw/zinc/23/96/74/926239674.db2.gz GGBMYVBJBUNZLS-KBPBESRZSA-N 2 2 288.395 1.479 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085638997 926239680 /nfs/dbraw/zinc/23/96/80/926239680.db2.gz GGBMYVBJBUNZLS-KBPBESRZSA-N 2 2 288.395 1.479 20 30 CDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001104133559 937190916 /nfs/dbraw/zinc/19/09/16/937190916.db2.gz ZLDKSSLXEZPTQZ-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109218863 928843327 /nfs/dbraw/zinc/84/33/27/928843327.db2.gz ZNZNLTKGKOLIND-RDBSUJKOSA-N 2 2 288.395 1.640 20 30 CDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109218863 928843338 /nfs/dbraw/zinc/84/33/38/928843338.db2.gz ZNZNLTKGKOLIND-RDBSUJKOSA-N 2 2 288.395 1.640 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134743759 929879705 /nfs/dbraw/zinc/87/97/05/929879705.db2.gz CIYXHWNISAKGCW-OLZOCXBDSA-N 2 2 291.395 1.692 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135132780 930067491 /nfs/dbraw/zinc/06/74/91/930067491.db2.gz UHMWLDUNMVBYKZ-ZIAGYGMSSA-N 2 2 278.400 1.722 20 30 CDEDLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCc1ccc(C#N)cc1)C2 ZINC001274914732 931607856 /nfs/dbraw/zinc/60/78/56/931607856.db2.gz XIHVCIHWDDRPQN-CVEARBPZSA-N 2 2 255.365 1.737 20 30 CDEDLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCc1ccc(C#N)cc1)C2 ZINC001274914732 931607861 /nfs/dbraw/zinc/60/78/61/931607861.db2.gz XIHVCIHWDDRPQN-CVEARBPZSA-N 2 2 255.365 1.737 20 30 CDEDLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001274914732 931607862 /nfs/dbraw/zinc/60/78/62/931607862.db2.gz XIHVCIHWDDRPQN-CVEARBPZSA-N 2 2 255.365 1.737 20 30 CDEDLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001274914732 931607866 /nfs/dbraw/zinc/60/78/66/931607866.db2.gz XIHVCIHWDDRPQN-CVEARBPZSA-N 2 2 255.365 1.737 20 30 CDEDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccccc1C#N)C2 ZINC001275968836 932179990 /nfs/dbraw/zinc/17/99/90/932179990.db2.gz PCPDYLBPIJYZFO-UHFFFAOYSA-N 2 2 284.407 1.237 20 30 CDEDLP Cc1ccc(CC#N)c(N[C@@H](C)CN2CC[NH2+]CC2)[nH+]1 ZINC001154753295 937582670 /nfs/dbraw/zinc/58/26/70/937582670.db2.gz NVUDQIWQNXZESI-ZDUSSCGKSA-N 2 2 273.384 1.162 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712165 932287844 /nfs/dbraw/zinc/28/78/44/932287844.db2.gz AKXCWWJDJCXMKD-LSDHHAIUSA-N 2 2 290.411 1.560 20 30 CDEDLP N#Cc1nccnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155052676 937627442 /nfs/dbraw/zinc/62/74/42/937627442.db2.gz FQBLQPLECPENRI-UHFFFAOYSA-N 2 2 254.297 1.001 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159540692 938738805 /nfs/dbraw/zinc/73/88/05/938738805.db2.gz WDUCVMICCNAPSO-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159540692 938738807 /nfs/dbraw/zinc/73/88/07/938738807.db2.gz WDUCVMICCNAPSO-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP N#C[C@@H]1CCCCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160636981 938805287 /nfs/dbraw/zinc/80/52/87/938805287.db2.gz MIVBONYEIBSBRA-UONOGXRCSA-N 2 2 272.352 1.163 20 30 CDEDLP Cc1[nH+]c2c(n1-c1nccc(F)c1C#N)CC[NH2+]CC2 ZINC001165352910 939550774 /nfs/dbraw/zinc/55/07/74/939550774.db2.gz HLHVMGWOEKHYPM-UHFFFAOYSA-N 2 2 271.299 1.275 20 30 CDEDLP C=CCCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206971913 940119266 /nfs/dbraw/zinc/11/92/66/940119266.db2.gz ICZYMIZRFFWQKY-UHFFFAOYSA-N 2 2 290.411 1.678 20 30 CDEDLP CCOC(=O)C1(C#N)CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208618360 940358863 /nfs/dbraw/zinc/35/88/63/940358863.db2.gz XOHMNXVHAMURLC-CQSZACIVSA-N 2 2 293.411 1.497 20 30 CDEDLP CCOC(=O)C1(C#N)CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208618360 940358864 /nfs/dbraw/zinc/35/88/64/940358864.db2.gz XOHMNXVHAMURLC-CQSZACIVSA-N 2 2 293.411 1.497 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985848 940419060 /nfs/dbraw/zinc/41/90/60/940419060.db2.gz YZIDYXAIBCJTQP-RBSFLKMASA-N 2 2 288.395 1.294 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985848 940419062 /nfs/dbraw/zinc/41/90/62/940419062.db2.gz YZIDYXAIBCJTQP-RBSFLKMASA-N 2 2 288.395 1.294 20 30 CDEDLP C#CCCC1(CCNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)N=N1 ZINC001221408170 941531317 /nfs/dbraw/zinc/53/13/17/941531317.db2.gz HFSPTKOJOKDGPH-CQSZACIVSA-N 2 2 299.378 1.341 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001232460169 943281955 /nfs/dbraw/zinc/28/19/55/943281955.db2.gz QETGARNTPDIXTO-MRXNPFEDSA-N 2 2 288.395 1.719 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001232460169 943281957 /nfs/dbraw/zinc/28/19/57/943281957.db2.gz QETGARNTPDIXTO-MRXNPFEDSA-N 2 2 288.395 1.719 20 30 CDEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc(C#N)n1)CC2 ZINC001232923567 943434434 /nfs/dbraw/zinc/43/44/34/943434434.db2.gz DWDDMPFAIYAJBF-UHFFFAOYSA-N 2 2 299.378 1.583 20 30 CDEDLP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246708319 948413876 /nfs/dbraw/zinc/41/38/76/948413876.db2.gz FBUMQVJLZACDEY-GJZGRUSLSA-N 2 2 291.439 1.770 20 30 CDEDLP CCc1cc(C#N)ccc1C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001248752432 949125566 /nfs/dbraw/zinc/12/55/66/949125566.db2.gz LIDOHPQXNHIADE-UHFFFAOYSA-N 2 2 298.434 1.552 20 30 CDEDLP C=C[C@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001253586731 951976542 /nfs/dbraw/zinc/97/65/42/951976542.db2.gz QWMAPQYGYDUXNM-HNNXBMFYSA-N 2 2 257.337 1.851 20 30 CDEDLP C=C[C@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001253586731 951976550 /nfs/dbraw/zinc/97/65/50/951976550.db2.gz QWMAPQYGYDUXNM-HNNXBMFYSA-N 2 2 257.337 1.851 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422202266 955839450 /nfs/dbraw/zinc/83/94/50/955839450.db2.gz VELCMEKHHMZWQX-GFCCVEGCSA-N 2 2 287.835 1.471 20 30 CDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001422202266 955839470 /nfs/dbraw/zinc/83/94/70/955839470.db2.gz VELCMEKHHMZWQX-GFCCVEGCSA-N 2 2 287.835 1.471 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422202266 955839484 /nfs/dbraw/zinc/83/94/84/955839484.db2.gz VELCMEKHHMZWQX-GFCCVEGCSA-N 2 2 287.835 1.471 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422202266 955839501 /nfs/dbraw/zinc/83/95/01/955839501.db2.gz VELCMEKHHMZWQX-GFCCVEGCSA-N 2 2 287.835 1.471 20 30 CDEDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001332399602 957548230 /nfs/dbraw/zinc/54/82/30/957548230.db2.gz DRXIHDOXUGXKOB-IUODEOHRSA-N 2 2 259.353 1.819 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367536120 958113692 /nfs/dbraw/zinc/11/36/92/958113692.db2.gz PJQDAANFJBDWDM-CYBMUJFWSA-N 2 2 289.851 1.715 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367536120 958113698 /nfs/dbraw/zinc/11/36/98/958113698.db2.gz PJQDAANFJBDWDM-CYBMUJFWSA-N 2 2 289.851 1.715 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001367575712 958145091 /nfs/dbraw/zinc/14/50/91/958145091.db2.gz HXIXQLWKDQRINO-RYUDHWBXSA-N 2 2 296.802 1.579 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001421133652 963470370 /nfs/dbraw/zinc/47/03/70/963470370.db2.gz JPBPNDNYFCSRAW-LBPRGKRZSA-N 2 2 282.775 1.285 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001444942951 966015049 /nfs/dbraw/zinc/01/50/49/966015049.db2.gz ZGEAHOPCWPCYGG-ZDUSSCGKSA-N 2 2 298.818 1.446 20 30 CDEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1cccc2[nH+]ccn21 ZINC001361917730 970673718 /nfs/dbraw/zinc/67/37/18/970673718.db2.gz VEYMSUNRZNWYET-UHFFFAOYSA-N 2 2 299.378 1.642 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001389455891 975835712 /nfs/dbraw/zinc/83/57/12/975835712.db2.gz FJFSQARODFJWFG-STQMWFEESA-N 2 2 287.835 1.516 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001389455891 975835724 /nfs/dbraw/zinc/83/57/24/975835724.db2.gz FJFSQARODFJWFG-STQMWFEESA-N 2 2 287.835 1.516 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001403312581 976873573 /nfs/dbraw/zinc/87/35/73/976873573.db2.gz JHMVIVGAXSOWMN-GFCCVEGCSA-N 2 2 287.835 1.517 20 30 CDEDLP COc1cc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)ccc1C#N ZINC000601975145 342146368 /nfs/dbraw/zinc/14/63/68/342146368.db2.gz ZQMUBQODIJBKDY-ZBFHGGJFSA-N 2 2 271.364 1.799 20 30 CDEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cn1 ZINC000593984242 342860376 /nfs/dbraw/zinc/86/03/76/342860376.db2.gz NUFLQKPWZCHZKZ-UHFFFAOYSA-N 2 2 258.369 1.871 20 30 CDEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cn1 ZINC000593984242 342860377 /nfs/dbraw/zinc/86/03/77/342860377.db2.gz NUFLQKPWZCHZKZ-UHFFFAOYSA-N 2 2 258.369 1.871 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984749 342363018 /nfs/dbraw/zinc/36/30/18/342363018.db2.gz KKTOWTXXVRVSRK-OLZOCXBDSA-N 2 2 289.383 1.350 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984749 342363019 /nfs/dbraw/zinc/36/30/19/342363019.db2.gz KKTOWTXXVRVSRK-OLZOCXBDSA-N 2 2 289.383 1.350 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000088696677 342386928 /nfs/dbraw/zinc/38/69/28/342386928.db2.gz FKUDOFYEGLRWMX-WBVHZDCISA-N 2 2 299.418 1.551 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000088696677 342386929 /nfs/dbraw/zinc/38/69/29/342386929.db2.gz FKUDOFYEGLRWMX-WBVHZDCISA-N 2 2 299.418 1.551 20 30 CDEDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C#N)c1 ZINC000596653411 343371620 /nfs/dbraw/zinc/37/16/20/343371620.db2.gz KIRPLDXLUCIALL-SNVBAGLBSA-N 2 2 283.335 1.363 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000598614042 343842763 /nfs/dbraw/zinc/84/27/63/343842763.db2.gz NCBJOXHFKBWLPT-DZGCQCFKSA-N 2 2 289.379 1.835 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000598614042 343842764 /nfs/dbraw/zinc/84/27/64/343842764.db2.gz NCBJOXHFKBWLPT-DZGCQCFKSA-N 2 2 289.379 1.835 20 30 CDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397573962 345225873 /nfs/dbraw/zinc/22/58/73/345225873.db2.gz FRLCGZHULAJVQY-KBPBESRZSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397573962 345225878 /nfs/dbraw/zinc/22/58/78/345225878.db2.gz FRLCGZHULAJVQY-KBPBESRZSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397573962 345225880 /nfs/dbraw/zinc/22/58/80/345225880.db2.gz FRLCGZHULAJVQY-KBPBESRZSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397573962 345225882 /nfs/dbraw/zinc/22/58/82/345225882.db2.gz FRLCGZHULAJVQY-KBPBESRZSA-N 2 2 253.390 1.313 20 30 CDEDLP C=CC[NH+](CC=C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000052868815 345306091 /nfs/dbraw/zinc/30/60/91/345306091.db2.gz IUHYNLYITAQSJA-UHFFFAOYSA-N 2 2 265.401 1.261 20 30 CDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449399136 362695444 /nfs/dbraw/zinc/69/54/44/362695444.db2.gz XTGQEAKGXHMXGJ-RBSFLKMASA-N 2 2 265.401 1.505 20 30 CDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449399136 362695446 /nfs/dbraw/zinc/69/54/46/362695446.db2.gz XTGQEAKGXHMXGJ-RBSFLKMASA-N 2 2 265.401 1.505 20 30 CDEDLP CC(C)(C#N)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611462788 346792588 /nfs/dbraw/zinc/79/25/88/346792588.db2.gz XHUMGGQBGVJNPT-AWEZNQCLSA-N 2 2 292.427 1.340 20 30 CDEDLP CC(C)(C#N)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611462788 346792589 /nfs/dbraw/zinc/79/25/89/346792589.db2.gz XHUMGGQBGVJNPT-AWEZNQCLSA-N 2 2 292.427 1.340 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000619719685 348191710 /nfs/dbraw/zinc/19/17/10/348191710.db2.gz UPFWBBXKXGNKBV-UPJWGTAASA-N 2 2 263.341 1.494 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000619719685 348191713 /nfs/dbraw/zinc/19/17/13/348191713.db2.gz UPFWBBXKXGNKBV-UPJWGTAASA-N 2 2 263.341 1.494 20 30 CDEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000602515662 350117140 /nfs/dbraw/zinc/11/71/40/350117140.db2.gz AYXKZPHDEOHZBP-WFASDCNBSA-N 2 2 256.353 1.670 20 30 CDEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000602515662 350117143 /nfs/dbraw/zinc/11/71/43/350117143.db2.gz AYXKZPHDEOHZBP-WFASDCNBSA-N 2 2 256.353 1.670 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC000107370081 186172522 /nfs/dbraw/zinc/17/25/22/186172522.db2.gz XEGBHFIMHLUDSO-GOSISDBHSA-N 2 2 298.434 1.770 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000107370081 186172523 /nfs/dbraw/zinc/17/25/23/186172523.db2.gz XEGBHFIMHLUDSO-GOSISDBHSA-N 2 2 298.434 1.770 20 30 CDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CCN(C=O)CC1)C(C)C ZINC000278180825 359579381 /nfs/dbraw/zinc/57/93/81/359579381.db2.gz DJQGSSDHXHXUTJ-KRWDZBQOSA-N 2 2 293.455 1.895 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337268704 360050921 /nfs/dbraw/zinc/05/09/21/360050921.db2.gz KUORNOKDCXNCRS-AWEZNQCLSA-N 2 2 292.427 1.355 20 30 CDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337268704 360050924 /nfs/dbraw/zinc/05/09/24/360050924.db2.gz KUORNOKDCXNCRS-AWEZNQCLSA-N 2 2 292.427 1.355 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000123365653 360631080 /nfs/dbraw/zinc/63/10/80/360631080.db2.gz FOKZQNYGRUEPJM-LBPRGKRZSA-N 2 2 265.401 1.141 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000535772224 361102123 /nfs/dbraw/zinc/10/21/23/361102123.db2.gz IBNSSOKNQBFHCV-UHFFFAOYSA-N 2 2 288.395 1.892 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000338992317 361181992 /nfs/dbraw/zinc/18/19/92/361181992.db2.gz ICJQMVUTGCJHGZ-BZUAXINKSA-N 2 2 277.412 1.723 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000338992317 361181998 /nfs/dbraw/zinc/18/19/98/361181998.db2.gz ICJQMVUTGCJHGZ-BZUAXINKSA-N 2 2 277.412 1.723 20 30 CDEDLP CC(C)[C@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCOCC1 ZINC000122467336 370814385 /nfs/dbraw/zinc/81/43/85/370814385.db2.gz ZKZXCTCJLWOJKP-HNNXBMFYSA-N 2 2 296.459 1.390 20 30 CDEDLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CCC#N)c2)CCO1 ZINC000575052995 335059694 /nfs/dbraw/zinc/05/96/94/335059694.db2.gz YVISIJUAYBSNIS-AWEZNQCLSA-N 2 2 273.380 1.911 20 30 CDEDLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CCC#N)c2)CCO1 ZINC000575052995 335059696 /nfs/dbraw/zinc/05/96/96/335059696.db2.gz YVISIJUAYBSNIS-AWEZNQCLSA-N 2 2 273.380 1.911 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CC ZINC000491537157 391153962 /nfs/dbraw/zinc/15/39/62/391153962.db2.gz OTUIYVZYXBQUCO-INIZCTEOSA-N 2 2 260.381 1.434 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)CC ZINC000491537157 391153964 /nfs/dbraw/zinc/15/39/64/391153964.db2.gz OTUIYVZYXBQUCO-INIZCTEOSA-N 2 2 260.381 1.434 20 30 CDEDLP C#CC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)CC ZINC000491537157 391153968 /nfs/dbraw/zinc/15/39/68/391153968.db2.gz OTUIYVZYXBQUCO-INIZCTEOSA-N 2 2 260.381 1.434 20 30 CDEDLP C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)CC ZINC000491537157 391153970 /nfs/dbraw/zinc/15/39/70/391153970.db2.gz OTUIYVZYXBQUCO-INIZCTEOSA-N 2 2 260.381 1.434 20 30 CDEDLP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC1CC1 ZINC000261872612 391719346 /nfs/dbraw/zinc/71/93/46/391719346.db2.gz PDKOJINYIPNLPR-ZDUSSCGKSA-N 2 2 276.384 1.873 20 30 CDEDLP CC[NH+](CC)[C@@H](CNC1=[NH+]CCN1C)c1ccco1 ZINC000262651344 391807498 /nfs/dbraw/zinc/80/74/98/391807498.db2.gz KOKFSHQFBRVSSW-LBPRGKRZSA-N 2 2 264.373 1.554 20 30 CDEDLP C[NH+]=C(NC[C@H](c1ccsc1)[NH+](C)C)N[C@@H]1C[C@H]1C ZINC000262685178 391812855 /nfs/dbraw/zinc/81/28/55/391812855.db2.gz ADLLEVGTORHBAR-RAIGVLPGSA-N 2 2 280.441 1.924 20 30 CDEDLP Cc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)ccc1C#N ZINC000487855182 393267640 /nfs/dbraw/zinc/26/76/40/393267640.db2.gz DTFDYBSMSCHPTI-UHFFFAOYSA-N 2 2 287.407 1.755 20 30 CDEDLP Cc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)ccc1C#N ZINC000487855182 393267641 /nfs/dbraw/zinc/26/76/41/393267641.db2.gz DTFDYBSMSCHPTI-UHFFFAOYSA-N 2 2 287.407 1.755 20 30 CDEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000657878467 413067235 /nfs/dbraw/zinc/06/72/35/413067235.db2.gz NKISJOGHCLQBJT-BZUAXINKSA-N 2 2 265.445 1.957 20 30 CDEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000657878467 413067240 /nfs/dbraw/zinc/06/72/40/413067240.db2.gz NKISJOGHCLQBJT-BZUAXINKSA-N 2 2 265.445 1.957 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)o1 ZINC000253191229 140331479 /nfs/dbraw/zinc/33/14/79/140331479.db2.gz LXKBIFQHZUKTAB-SMDDNHRTSA-N 2 2 261.325 1.104 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)o1 ZINC000253191229 140331480 /nfs/dbraw/zinc/33/14/80/140331480.db2.gz LXKBIFQHZUKTAB-SMDDNHRTSA-N 2 2 261.325 1.104 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CCC(C#N)CC1 ZINC000333301271 228196354 /nfs/dbraw/zinc/19/63/54/228196354.db2.gz QCNBKNMUGFCPSX-XSCHDIRWSA-N 2 2 265.401 1.673 20 30 CDEDLP COc1ccc(CC(N)=[NH+]OCc2c[nH+]cn2C)cc1 ZINC000267828353 328180544 /nfs/dbraw/zinc/18/05/44/328180544.db2.gz ZSZRCLRTYRCOBU-UHFFFAOYSA-N 2 2 274.324 1.460 20 30 CDEDLP COc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1C#N ZINC000579669865 324246249 /nfs/dbraw/zinc/24/62/49/324246249.db2.gz STZYFOKLVOTPDU-AWEZNQCLSA-N 2 2 282.347 1.868 20 30 CDEDLP COc1ccc(OC)c(NC(=[NH2+])NCc2c[nH+]cn2C)c1 ZINC000262361802 330010942 /nfs/dbraw/zinc/01/09/42/330010942.db2.gz JCIXYKHUMXVTEB-UHFFFAOYSA-N 2 2 289.339 1.364 20 30 CDEDLP CN1CC[NH+]=C1NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000263195496 330048623 /nfs/dbraw/zinc/04/86/23/330048623.db2.gz WJQZPODOOAZZFY-UHFFFAOYSA-N 2 2 289.770 1.917 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000491041196 332142101 /nfs/dbraw/zinc/14/21/01/332142101.db2.gz YAVCSVVSJPXJNZ-HNNXBMFYSA-N 2 2 291.439 1.322 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000730097571 574849384 /nfs/dbraw/zinc/84/93/84/574849384.db2.gz ASYSOFPUPYMALC-JYJNAYRXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000730097571 574849385 /nfs/dbraw/zinc/84/93/85/574849385.db2.gz ASYSOFPUPYMALC-JYJNAYRXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000730097571 574849386 /nfs/dbraw/zinc/84/93/86/574849386.db2.gz ASYSOFPUPYMALC-JYJNAYRXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000730097571 574849387 /nfs/dbraw/zinc/84/93/87/574849387.db2.gz ASYSOFPUPYMALC-JYJNAYRXSA-N 2 2 291.439 1.321 20 30 CDEDLP C[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000758235559 577087406 /nfs/dbraw/zinc/08/74/06/577087406.db2.gz INVCXWMQOSGWRS-HIFRSBDPSA-N 2 2 297.362 1.457 20 30 CDEDLP C[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000758235559 577087408 /nfs/dbraw/zinc/08/74/08/577087408.db2.gz INVCXWMQOSGWRS-HIFRSBDPSA-N 2 2 297.362 1.457 20 30 CDEDLP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981171413 612973670 /nfs/dbraw/zinc/97/36/70/612973670.db2.gz UFTXWNWXWVVTRJ-KBPBESRZSA-N 2 2 296.374 1.827 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000969138425 613348694 /nfs/dbraw/zinc/34/86/94/613348694.db2.gz UKJPAXZLHAMXBD-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981330627 613691430 /nfs/dbraw/zinc/69/14/30/613691430.db2.gz GATGQRAINBCOIR-AWEZNQCLSA-N 2 2 288.395 1.481 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981330627 613691432 /nfs/dbraw/zinc/69/14/32/613691432.db2.gz GATGQRAINBCOIR-AWEZNQCLSA-N 2 2 288.395 1.481 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000949019043 613716204 /nfs/dbraw/zinc/71/62/04/613716204.db2.gz DNIKAVRWNPPANL-UHFFFAOYSA-N 2 2 284.363 1.587 20 30 CDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170484237 1162588253 /nfs/dbraw/zinc/58/82/53/1162588253.db2.gz XCKZQYAQZUJQNN-AWEZNQCLSA-N 2 2 290.411 1.630 20 30 CDEDLP C#CCC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001755117741 1159527767 /nfs/dbraw/zinc/52/77/67/1159527767.db2.gz AMUBNHQUWNUJKP-STQMWFEESA-N 2 2 288.395 1.147 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132091360 1163167565 /nfs/dbraw/zinc/16/75/65/1163167565.db2.gz WDNGSRVUPKBAEN-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132091360 1163167568 /nfs/dbraw/zinc/16/75/68/1163167568.db2.gz WDNGSRVUPKBAEN-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132091360 1163167573 /nfs/dbraw/zinc/16/75/73/1163167573.db2.gz WDNGSRVUPKBAEN-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132091360 1163167577 /nfs/dbraw/zinc/16/75/77/1163167577.db2.gz WDNGSRVUPKBAEN-UKRRQHHQSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133371228 1163660001 /nfs/dbraw/zinc/66/00/01/1163660001.db2.gz PFXMXDZIUJSARB-ZIAGYGMSSA-N 2 2 276.384 1.143 20 30 CDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001752828356 1184926626 /nfs/dbraw/zinc/92/66/26/1184926626.db2.gz WCRSACKZCHJTHR-HNNXBMFYSA-N 2 2 288.395 1.267 20 30 CDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001752828356 1184926629 /nfs/dbraw/zinc/92/66/29/1184926629.db2.gz WCRSACKZCHJTHR-HNNXBMFYSA-N 2 2 288.395 1.267 20 30 CDEDLP CC#CC[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753056634 1185027588 /nfs/dbraw/zinc/02/75/88/1185027588.db2.gz WEGCMBXATSXAEM-UHFFFAOYSA-N 2 2 270.336 1.248 20 30 CDEDLP CC#CC[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753056634 1185027594 /nfs/dbraw/zinc/02/75/94/1185027594.db2.gz WEGCMBXATSXAEM-UHFFFAOYSA-N 2 2 270.336 1.248 20 30 CDEDLP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753114917 1185068955 /nfs/dbraw/zinc/06/89/55/1185068955.db2.gz ZHBSIMPYISITCY-LSDHHAIUSA-N 2 2 288.395 1.438 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753114917 1185068962 /nfs/dbraw/zinc/06/89/62/1185068962.db2.gz ZHBSIMPYISITCY-LSDHHAIUSA-N 2 2 288.395 1.438 20 30 CDEDLP C=CCC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001754517915 1185655354 /nfs/dbraw/zinc/65/53/54/1185655354.db2.gz FQFFUBJTNUZCEL-UHFFFAOYSA-N 2 2 284.363 1.991 20 30 CDEDLP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001755479512 1185963600 /nfs/dbraw/zinc/96/36/00/1185963600.db2.gz PYKXQPOVGUQQNG-JOCQHMNTSA-N 2 2 276.384 1.403 20 30 CDEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001038319631 773822377 /nfs/dbraw/zinc/82/23/77/773822377.db2.gz BEGCZUHBQIQDDS-UONOGXRCSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001038319631 773822379 /nfs/dbraw/zinc/82/23/79/773822379.db2.gz BEGCZUHBQIQDDS-UONOGXRCSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001038319631 773822380 /nfs/dbraw/zinc/82/23/80/773822380.db2.gz BEGCZUHBQIQDDS-UONOGXRCSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001038319631 773822382 /nfs/dbraw/zinc/82/23/82/773822382.db2.gz BEGCZUHBQIQDDS-UONOGXRCSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042308239 773892228 /nfs/dbraw/zinc/89/22/28/773892228.db2.gz FXKKVDSWGIYNQS-HIFRSBDPSA-N 2 2 288.395 1.071 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042308239 773892233 /nfs/dbraw/zinc/89/22/33/773892233.db2.gz FXKKVDSWGIYNQS-HIFRSBDPSA-N 2 2 288.395 1.071 20 30 CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1CC ZINC001037969780 773941000 /nfs/dbraw/zinc/94/10/00/773941000.db2.gz QRJCIRFMMCWPNJ-KBPBESRZSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000884611020 774019910 /nfs/dbraw/zinc/01/99/10/774019910.db2.gz AXHHODJOCYVSLF-ZDUSSCGKSA-N 2 2 271.368 1.560 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000884611020 774019918 /nfs/dbraw/zinc/01/99/18/774019918.db2.gz AXHHODJOCYVSLF-ZDUSSCGKSA-N 2 2 271.368 1.560 20 30 CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001019041488 774306161 /nfs/dbraw/zinc/30/61/61/774306161.db2.gz XYXQONFMPVNLPS-LBPRGKRZSA-N 2 2 268.320 1.000 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999534411 774308693 /nfs/dbraw/zinc/30/86/93/774308693.db2.gz DWJMLLPUALAISI-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033233315 774518781 /nfs/dbraw/zinc/51/87/81/774518781.db2.gz QQPKUWLNGRILKP-AWEZNQCLSA-N 2 2 282.347 1.114 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033233315 774518791 /nfs/dbraw/zinc/51/87/91/774518791.db2.gz QQPKUWLNGRILKP-AWEZNQCLSA-N 2 2 282.347 1.114 20 30 CDEDLP Cc1ccc(NC(=O)NCC#CC[NH+](C)C)c(N(C)C)[nH+]1 ZINC000930504253 774848558 /nfs/dbraw/zinc/84/85/58/774848558.db2.gz HNGYXFJZNDXDNN-UHFFFAOYSA-N 2 2 289.383 1.143 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528066 775678451 /nfs/dbraw/zinc/67/84/51/775678451.db2.gz JEHAJKBLWUZTKS-CQSZACIVSA-N 2 2 299.846 1.805 20 30 CDEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528066 775678457 /nfs/dbraw/zinc/67/84/57/775678457.db2.gz JEHAJKBLWUZTKS-CQSZACIVSA-N 2 2 299.846 1.805 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994410237 776012453 /nfs/dbraw/zinc/01/24/53/776012453.db2.gz SEEIFKCPZILDPE-KBPBESRZSA-N 2 2 299.846 1.804 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994410237 776012459 /nfs/dbraw/zinc/01/24/59/776012459.db2.gz SEEIFKCPZILDPE-KBPBESRZSA-N 2 2 299.846 1.804 20 30 CDEDLP C=CCC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001006292937 776375996 /nfs/dbraw/zinc/37/59/96/776375996.db2.gz WCWATELPZZLPGR-UHFFFAOYSA-N 2 2 290.411 1.462 20 30 CDEDLP C#CCC[NH+]1CC(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001030965087 776385774 /nfs/dbraw/zinc/38/57/74/776385774.db2.gz CTDIEFGDJUUDTA-UHFFFAOYSA-N 2 2 299.418 1.228 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117735 776909816 /nfs/dbraw/zinc/90/98/16/776909816.db2.gz SSQWTSZISZLTOP-AWEZNQCLSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117735 776909828 /nfs/dbraw/zinc/90/98/28/776909828.db2.gz SSQWTSZISZLTOP-AWEZNQCLSA-N 2 2 299.846 1.661 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001017621290 777357988 /nfs/dbraw/zinc/35/79/88/777357988.db2.gz YXCTUYBPPZFSSP-QLFBSQMISA-N 2 2 277.412 1.188 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001017621290 777357995 /nfs/dbraw/zinc/35/79/95/777357995.db2.gz YXCTUYBPPZFSSP-QLFBSQMISA-N 2 2 277.412 1.188 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036852027 777705512 /nfs/dbraw/zinc/70/55/12/777705512.db2.gz WIGRKNWTTIKURZ-KBPBESRZSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036852027 777705531 /nfs/dbraw/zinc/70/55/31/777705531.db2.gz WIGRKNWTTIKURZ-KBPBESRZSA-N 2 2 288.395 1.451 20 30 CDEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024511346 777890014 /nfs/dbraw/zinc/89/00/14/777890014.db2.gz FRUUKFBWILFJNW-HZPDHXFCSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024511346 777890017 /nfs/dbraw/zinc/89/00/17/777890017.db2.gz FRUUKFBWILFJNW-HZPDHXFCSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024511346 777890019 /nfs/dbraw/zinc/89/00/19/777890019.db2.gz FRUUKFBWILFJNW-HZPDHXFCSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024511346 777890021 /nfs/dbraw/zinc/89/00/21/777890021.db2.gz FRUUKFBWILFJNW-HZPDHXFCSA-N 2 2 291.439 1.465 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001044749325 778006585 /nfs/dbraw/zinc/00/65/85/778006585.db2.gz IVYPQBGNRYUFGM-RYUDHWBXSA-N 2 2 296.802 1.674 20 30 CDEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001048894551 778127256 /nfs/dbraw/zinc/12/72/56/778127256.db2.gz FFAUOQYPDPRSSY-OKILXGFUSA-N 2 2 294.358 1.200 20 30 CDEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001048894551 778127293 /nfs/dbraw/zinc/12/72/93/778127293.db2.gz FFAUOQYPDPRSSY-OKILXGFUSA-N 2 2 294.358 1.200 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001074718316 778395707 /nfs/dbraw/zinc/39/57/07/778395707.db2.gz IPHMTCKYRVSQFE-GUTXKFCHSA-N 2 2 288.395 1.211 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001076078162 779062662 /nfs/dbraw/zinc/06/26/62/779062662.db2.gz QALOWDWOUQOJFO-UONOGXRCSA-N 2 2 288.395 1.071 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001076078162 779062669 /nfs/dbraw/zinc/06/26/69/779062669.db2.gz QALOWDWOUQOJFO-UONOGXRCSA-N 2 2 288.395 1.071 20 30 CDEDLP CN(C)C(=[NH+]Cc1ccc(-n2cc[nH+]c2)cc1)N(C)C ZINC000848998449 779079322 /nfs/dbraw/zinc/07/93/22/779079322.db2.gz JWTGAKCNABKLAL-UHFFFAOYSA-N 2 2 271.368 1.852 20 30 CDEDLP N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000819243560 779230231 /nfs/dbraw/zinc/23/02/31/779230231.db2.gz AZQPXANFKZQSOM-CABCVRRESA-N 2 2 282.347 1.393 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036852028 779269731 /nfs/dbraw/zinc/26/97/31/779269731.db2.gz WIGRKNWTTIKURZ-KGLIPLIRSA-N 2 2 288.395 1.451 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036852028 779269736 /nfs/dbraw/zinc/26/97/36/779269736.db2.gz WIGRKNWTTIKURZ-KGLIPLIRSA-N 2 2 288.395 1.451 20 30 CDEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000989043548 779691912 /nfs/dbraw/zinc/69/19/12/779691912.db2.gz SDWFMAPGHYRQKH-DGCLKSJQSA-N 2 2 282.347 1.389 20 30 CDEDLP C#CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)c1ccccc1 ZINC000846844520 779855817 /nfs/dbraw/zinc/85/58/17/779855817.db2.gz NRASPUOOXVBUJU-IAGOWNOFSA-N 2 2 290.407 1.280 20 30 CDEDLP C#CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)c1ccccc1 ZINC000846844520 779855825 /nfs/dbraw/zinc/85/58/25/779855825.db2.gz NRASPUOOXVBUJU-IAGOWNOFSA-N 2 2 290.407 1.280 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027598414 779870570 /nfs/dbraw/zinc/87/05/70/779870570.db2.gz WMXSNDOKXQNXSO-ZDUSSCGKSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027598414 779870573 /nfs/dbraw/zinc/87/05/73/779870573.db2.gz WMXSNDOKXQNXSO-ZDUSSCGKSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000997044548 780020559 /nfs/dbraw/zinc/02/05/59/780020559.db2.gz IDVRPMDGPCVINV-ZDUSSCGKSA-N 2 2 276.384 1.601 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611824 780171758 /nfs/dbraw/zinc/17/17/58/780171758.db2.gz QQNLLMYSQZQNCE-MELADBBJSA-N 2 2 265.401 1.044 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611824 780171772 /nfs/dbraw/zinc/17/17/72/780171772.db2.gz QQNLLMYSQZQNCE-MELADBBJSA-N 2 2 265.401 1.044 20 30 CDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174580044 913221406 /nfs/dbraw/zinc/22/14/06/913221406.db2.gz FMTNIPPDWCARJU-CQSZACIVSA-N 2 2 278.400 1.724 20 30 CDEDLP C#Cc1cc(Nc2ccc(N3CC[NH+](C)CC3)nc2)cc[nH+]1 ZINC001176653773 914230578 /nfs/dbraw/zinc/23/05/78/914230578.db2.gz NSJKGSCIJJPKRK-UHFFFAOYSA-N 2 2 293.374 1.375 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167979452 904909478 /nfs/dbraw/zinc/90/94/78/904909478.db2.gz RTHDKZKKPDUGOL-ZDUSSCGKSA-N 2 2 278.400 1.650 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167979452 904909496 /nfs/dbraw/zinc/90/94/96/904909496.db2.gz RTHDKZKKPDUGOL-ZDUSSCGKSA-N 2 2 278.400 1.650 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001088657948 908748425 /nfs/dbraw/zinc/74/84/25/908748425.db2.gz ZYFXNTMETIJGRX-KGLIPLIRSA-N 2 2 290.411 1.692 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001088657948 908748430 /nfs/dbraw/zinc/74/84/30/908748430.db2.gz ZYFXNTMETIJGRX-KGLIPLIRSA-N 2 2 290.411 1.692 20 30 CDEDLP C[C@H](CCCC#N)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001172485913 911688340 /nfs/dbraw/zinc/68/83/40/911688340.db2.gz VMLUXPPPXLPXJH-GFCCVEGCSA-N 2 2 277.372 1.145 20 30 CDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001484999966 916365835 /nfs/dbraw/zinc/36/58/35/916365835.db2.gz JIFKGFZWEIPBPB-OLZOCXBDSA-N 2 2 276.384 1.096 20 30 CDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001484999966 916365854 /nfs/dbraw/zinc/36/58/54/916365854.db2.gz JIFKGFZWEIPBPB-OLZOCXBDSA-N 2 2 276.384 1.096 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184903253 919331488 /nfs/dbraw/zinc/33/14/88/919331488.db2.gz NTIWEOWFZBRRIN-LSDHHAIUSA-N 2 2 290.411 1.533 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C3(C#N)CC3)ccn2)CC1 ZINC001168736436 921881570 /nfs/dbraw/zinc/88/15/70/921881570.db2.gz MGUYFTMJIQGBCZ-UHFFFAOYSA-N 2 2 284.367 1.231 20 30 CDEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357937 936786816 /nfs/dbraw/zinc/78/68/16/936786816.db2.gz CEVKSSZLXYJJMF-AWEZNQCLSA-N 2 2 290.411 1.676 20 30 CDEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357937 936786818 /nfs/dbraw/zinc/78/68/18/936786818.db2.gz CEVKSSZLXYJJMF-AWEZNQCLSA-N 2 2 290.411 1.676 20 30 CDEDLP N#Cc1ccc(O)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205580233 922935398 /nfs/dbraw/zinc/93/53/98/922935398.db2.gz RPRNEEPDKRYIIA-OAHLLOKOSA-N 2 2 277.343 1.917 20 30 CDEDLP N#Cc1ccc(O)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205580233 922935413 /nfs/dbraw/zinc/93/54/13/922935413.db2.gz RPRNEEPDKRYIIA-OAHLLOKOSA-N 2 2 277.343 1.917 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100744311 936932261 /nfs/dbraw/zinc/93/22/61/936932261.db2.gz RFIFHDJQXFPBBI-HSBZDZAISA-N 2 2 290.411 1.649 20 30 CDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100744311 936932263 /nfs/dbraw/zinc/93/22/63/936932263.db2.gz RFIFHDJQXFPBBI-HSBZDZAISA-N 2 2 290.411 1.649 20 30 CDEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203814608 924696874 /nfs/dbraw/zinc/69/68/74/924696874.db2.gz LJBWJIJQCONZON-UONOGXRCSA-N 2 2 288.395 1.476 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001205741578 924775813 /nfs/dbraw/zinc/77/58/13/924775813.db2.gz MHRDWONCYYLGBN-UHFFFAOYSA-N 2 2 290.411 1.367 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102032279 937037717 /nfs/dbraw/zinc/03/77/17/937037717.db2.gz ZIMMNEYETDWPRQ-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102032279 937037720 /nfs/dbraw/zinc/03/77/20/937037720.db2.gz ZIMMNEYETDWPRQ-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102032279 937037723 /nfs/dbraw/zinc/03/77/23/937037723.db2.gz ZIMMNEYETDWPRQ-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102032279 937037726 /nfs/dbraw/zinc/03/77/26/937037726.db2.gz ZIMMNEYETDWPRQ-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccccc1CS ZINC001169074716 927689959 /nfs/dbraw/zinc/68/99/59/927689959.db2.gz KSZKZSYUZFHRBW-LLVKDONJSA-N 2 2 263.366 1.164 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080007 930042066 /nfs/dbraw/zinc/04/20/66/930042066.db2.gz IXOGVKILPQWRFU-QWHCGFSZSA-N 2 2 278.400 1.649 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080007 930042073 /nfs/dbraw/zinc/04/20/73/930042073.db2.gz IXOGVKILPQWRFU-QWHCGFSZSA-N 2 2 278.400 1.649 20 30 CDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362572 937443295 /nfs/dbraw/zinc/44/32/95/937443295.db2.gz OIXCMIRZHRUZCD-CYBMUJFWSA-N 2 2 298.390 1.716 20 30 CDEDLP Cc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)cnc1C#N ZINC001155064107 937629848 /nfs/dbraw/zinc/62/98/48/937629848.db2.gz MNUPJZLRYBWXMT-UHFFFAOYSA-N 2 2 268.324 1.309 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)c2cccc3c[nH+]cn32)CC1 ZINC001155794275 937674790 /nfs/dbraw/zinc/67/47/90/937674790.db2.gz QRINSXRJRWYYCH-UHFFFAOYSA-N 2 2 270.336 1.278 20 30 CDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096432913 936085005 /nfs/dbraw/zinc/08/50/05/936085005.db2.gz GGIUVYDHJYIIHG-SNPRPXQTSA-N 2 2 286.379 1.005 20 30 CDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096432913 936085011 /nfs/dbraw/zinc/08/50/11/936085011.db2.gz GGIUVYDHJYIIHG-SNPRPXQTSA-N 2 2 286.379 1.005 20 30 CDEDLP C=C(C)CN(CC)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160688859 938814074 /nfs/dbraw/zinc/81/40/74/938814074.db2.gz IZOVBSLRQPGPJX-CQSZACIVSA-N 2 2 261.369 1.683 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161310663 938886781 /nfs/dbraw/zinc/88/67/81/938886781.db2.gz XOYYDGMXNGVBMV-LBPRGKRZSA-N 2 2 296.802 1.294 20 30 CDEDLP N#CCc1cc[nH+]c(N2CCC([NH3+])(c3cccnc3)CC2)c1 ZINC001161581981 938914346 /nfs/dbraw/zinc/91/43/46/938914346.db2.gz HOKYECGIXBHRNX-UHFFFAOYSA-N 2 2 293.374 1.997 20 30 CDEDLP N#Cc1cnc(Cl)cc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867414 938937031 /nfs/dbraw/zinc/93/70/31/938937031.db2.gz QKJVUDYZAJFEDT-UHFFFAOYSA-N 2 2 279.775 1.442 20 30 CDEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(Cl)nc1C#N ZINC001163122448 939205972 /nfs/dbraw/zinc/20/59/72/939205972.db2.gz KZHUSVRDMNGDGU-UHFFFAOYSA-N 2 2 295.778 1.280 20 30 CDEDLP C[NH+]1CCN(c2cccc(N3CCC[C@H](CC#N)C3)[nH+]2)CC1 ZINC001165076145 939507518 /nfs/dbraw/zinc/50/75/18/939507518.db2.gz CLEGVNHSPJIBBC-OAHLLOKOSA-N 2 2 299.422 1.963 20 30 CDEDLP Cc1ccc(CC#N)c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)[nH+]1 ZINC001165148175 939518585 /nfs/dbraw/zinc/51/85/85/939518585.db2.gz ICRIBSAHUKBANY-KBPBESRZSA-N 2 2 256.353 1.454 20 30 CDEDLP Cc1[nH+]c2c(n1-c1nccc(C#N)c1F)CC[NH2+]CC2 ZINC001165352569 939550152 /nfs/dbraw/zinc/55/01/52/939550152.db2.gz CPRSMOBLFDKFJU-UHFFFAOYSA-N 2 2 271.299 1.275 20 30 CDEDLP Cc1[nH+]c2c(n1-c1ccc(CC#N)c(C)n1)CC[NH2+]CC2 ZINC001165354869 939550961 /nfs/dbraw/zinc/55/09/61/939550961.db2.gz KCFYKOPNAKLQIU-UHFFFAOYSA-N 2 2 281.363 1.638 20 30 CDEDLP N#Cc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1Cl ZINC001205725433 939926799 /nfs/dbraw/zinc/92/67/99/939926799.db2.gz HHLIPRCTSHRJCC-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1Cl ZINC001205725433 939926801 /nfs/dbraw/zinc/92/68/01/939926801.db2.gz HHLIPRCTSHRJCC-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214966822 940848628 /nfs/dbraw/zinc/84/86/28/940848628.db2.gz DTBZRWHVMKASLK-MLGOLLRUSA-N 2 2 296.374 1.636 20 30 CDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215710453 940904139 /nfs/dbraw/zinc/90/41/39/940904139.db2.gz YCZVIPPMIHRHRU-QLFBSQMISA-N 2 2 288.395 1.294 20 30 CDEDLP CC#CC[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001223420087 941676234 /nfs/dbraw/zinc/67/62/34/941676234.db2.gz QLVRQEPLOCQCAH-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP CC#CC[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001223420087 941676236 /nfs/dbraw/zinc/67/62/36/941676236.db2.gz QLVRQEPLOCQCAH-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001227655241 942200033 /nfs/dbraw/zinc/20/00/33/942200033.db2.gz GYSXWIFPAMVTRW-ZIAGYGMSSA-N 2 2 288.395 1.003 20 30 CDEDLP C=CCC[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001230171099 942589302 /nfs/dbraw/zinc/58/93/02/942589302.db2.gz YRXAFBXJPSZXGZ-UHFFFAOYSA-N 2 2 290.411 1.509 20 30 CDEDLP N#Cc1ccc(O)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001232673494 943355338 /nfs/dbraw/zinc/35/53/38/943355338.db2.gz IBPBUFWREOVNSR-UHFFFAOYSA-N 2 2 294.358 1.981 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235987001 944352647 /nfs/dbraw/zinc/35/26/47/944352647.db2.gz DAOCIHDRVUZLTD-RDJZCZTQSA-N 2 2 284.407 1.960 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235987001 944352656 /nfs/dbraw/zinc/35/26/56/944352656.db2.gz DAOCIHDRVUZLTD-RDJZCZTQSA-N 2 2 284.407 1.960 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001479908135 971482478 /nfs/dbraw/zinc/48/24/78/971482478.db2.gz OBVIFRLAGIJXSV-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001479908135 971482484 /nfs/dbraw/zinc/48/24/84/971482484.db2.gz OBVIFRLAGIJXSV-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP Nc1ccccc1C(NO)=[NH+]c1ccc2c[nH+]cn2c1 ZINC001250331756 950120026 /nfs/dbraw/zinc/12/00/26/950120026.db2.gz BTONCNBBZRYTJG-UHFFFAOYSA-N 2 2 267.292 1.974 20 30 CDEDLP C=C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001253605765 951991486 /nfs/dbraw/zinc/99/14/86/951991486.db2.gz WGPIKYYPEMFIFZ-DLBZAZTESA-N 2 2 274.408 1.830 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365983773 956489789 /nfs/dbraw/zinc/48/97/89/956489789.db2.gz LUUZCYNUDNVLAL-LBPRGKRZSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365983773 956489798 /nfs/dbraw/zinc/48/97/98/956489798.db2.gz LUUZCYNUDNVLAL-LBPRGKRZSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001368999011 959383785 /nfs/dbraw/zinc/38/37/85/959383785.db2.gz PMUUEBOLVOYNTR-RYUDHWBXSA-N 2 2 275.824 1.516 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001368999011 959383800 /nfs/dbraw/zinc/38/38/00/959383800.db2.gz PMUUEBOLVOYNTR-RYUDHWBXSA-N 2 2 275.824 1.516 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001439125836 963648491 /nfs/dbraw/zinc/64/84/91/963648491.db2.gz AXPGOLLEXPMEAV-LLVKDONJSA-N 2 2 292.770 1.795 20 30 CDEDLP C=C(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001351099809 966857296 /nfs/dbraw/zinc/85/72/96/966857296.db2.gz BEQLZUCSHRQNHH-UHFFFAOYSA-N 2 2 279.428 1.627 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001376854239 974794988 /nfs/dbraw/zinc/79/49/88/974794988.db2.gz DDGVIMURUWWZDD-VIFPVBQESA-N 2 2 270.764 1.107 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133189537 1163601893 /nfs/dbraw/zinc/60/18/93/1163601893.db2.gz AFNUIRBFGLMCTR-QWHCGFSZSA-N 2 2 276.384 1.212 20 30 CDEDLP Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)c(C#N)c[nH+]1 ZINC000591817539 342647265 /nfs/dbraw/zinc/64/72/65/342647265.db2.gz OUYJJTIBIKQGAN-UHFFFAOYSA-N 2 2 279.347 1.983 20 30 CDEDLP N#Cc1cccc(NC(=O)CC[N@@H+]2CCn3c[nH+]cc3C2)c1 ZINC000595488039 343075426 /nfs/dbraw/zinc/07/54/26/343075426.db2.gz BWOVDMPVVLTLKT-UHFFFAOYSA-N 2 2 295.346 1.599 20 30 CDEDLP N#Cc1cccc(NC(=O)CC[N@H+]2CCn3c[nH+]cc3C2)c1 ZINC000595488039 343075427 /nfs/dbraw/zinc/07/54/27/343075427.db2.gz BWOVDMPVVLTLKT-UHFFFAOYSA-N 2 2 295.346 1.599 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000442815341 362093320 /nfs/dbraw/zinc/09/33/20/362093320.db2.gz DXSSNLPNMOVPCM-XMTFNYHQSA-N 2 2 299.418 1.904 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000442815341 362093323 /nfs/dbraw/zinc/09/33/23/362093323.db2.gz DXSSNLPNMOVPCM-XMTFNYHQSA-N 2 2 299.418 1.904 20 30 CDEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000595895503 343183254 /nfs/dbraw/zinc/18/32/54/343183254.db2.gz OGSPLAQQWVIMGK-JKSUJKDBSA-N 2 2 255.365 1.785 20 30 CDEDLP N#Cc1ccc(CC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000595895503 343183255 /nfs/dbraw/zinc/18/32/55/343183255.db2.gz OGSPLAQQWVIMGK-JKSUJKDBSA-N 2 2 255.365 1.785 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000598592830 343839128 /nfs/dbraw/zinc/83/91/28/343839128.db2.gz LTZPGBFRNQMIRU-CYBMUJFWSA-N 2 2 276.384 1.890 20 30 CDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C[N@@H+]1C1CC1 ZINC000598723390 343884818 /nfs/dbraw/zinc/88/48/18/343884818.db2.gz GQWZKELZAYPYIL-YRGRVCCFSA-N 2 2 265.401 1.502 20 30 CDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C[N@H+]1C1CC1 ZINC000598723390 343884819 /nfs/dbraw/zinc/88/48/19/343884819.db2.gz GQWZKELZAYPYIL-YRGRVCCFSA-N 2 2 265.401 1.502 20 30 CDEDLP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C#N ZINC000090320586 347653492 /nfs/dbraw/zinc/65/34/92/347653492.db2.gz MWYWPQKHOXBJRU-OKILXGFUSA-N 2 2 257.337 1.218 20 30 CDEDLP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C#N ZINC000090320586 347653494 /nfs/dbraw/zinc/65/34/94/347653494.db2.gz MWYWPQKHOXBJRU-OKILXGFUSA-N 2 2 257.337 1.218 20 30 CDEDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000573813151 334968487 /nfs/dbraw/zinc/96/84/87/334968487.db2.gz LKYWXZLJVBMNSP-ZDUSSCGKSA-N 2 2 253.390 1.504 20 30 CDEDLP CCNC(=[NH2+])NC[C@H](c1ccco1)[NH+](CC)CC ZINC000264121595 362973103 /nfs/dbraw/zinc/97/31/03/362973103.db2.gz VCDPHGYYTOXTBT-LLVKDONJSA-N 2 2 252.362 1.587 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493148424 366194592 /nfs/dbraw/zinc/19/45/92/366194592.db2.gz IXHZLBPPTZVFJH-ONEGZZNKSA-N 2 2 274.368 1.580 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000566951170 358609363 /nfs/dbraw/zinc/60/93/63/358609363.db2.gz OLKSPNNSAKWYSX-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000566951170 358609366 /nfs/dbraw/zinc/60/93/66/358609366.db2.gz OLKSPNNSAKWYSX-QGZVFWFLSA-N 2 2 299.422 1.165 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152500250 359085341 /nfs/dbraw/zinc/08/53/41/359085341.db2.gz NLYPOKSTMSQWQE-HZPDHXFCSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152500250 359085345 /nfs/dbraw/zinc/08/53/45/359085345.db2.gz NLYPOKSTMSQWQE-HZPDHXFCSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152500250 359085347 /nfs/dbraw/zinc/08/53/47/359085347.db2.gz NLYPOKSTMSQWQE-HZPDHXFCSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152500250 359085349 /nfs/dbraw/zinc/08/53/49/359085349.db2.gz NLYPOKSTMSQWQE-HZPDHXFCSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](C[N@@H+](C)CCC)C2)C1=O ZINC000337172361 360009142 /nfs/dbraw/zinc/00/91/42/360009142.db2.gz GNWPQWJUSMFPHZ-GJZGRUSLSA-N 2 2 279.428 1.437 20 30 CDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](C[N@H+](C)CCC)C2)C1=O ZINC000337172361 360009145 /nfs/dbraw/zinc/00/91/45/360009145.db2.gz GNWPQWJUSMFPHZ-GJZGRUSLSA-N 2 2 279.428 1.437 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)CCC)C2)C1=O ZINC000337172361 360009148 /nfs/dbraw/zinc/00/91/48/360009148.db2.gz GNWPQWJUSMFPHZ-GJZGRUSLSA-N 2 2 279.428 1.437 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)CCC)C2)C1=O ZINC000337172361 360009151 /nfs/dbraw/zinc/00/91/51/360009151.db2.gz GNWPQWJUSMFPHZ-GJZGRUSLSA-N 2 2 279.428 1.437 20 30 CDEDLP C=CCC[NH+](C)CCS(=O)(=O)CC[N@H+](C)CCC=C ZINC000276513796 193363162 /nfs/dbraw/zinc/36/31/62/193363162.db2.gz XYBBLULEKPFFPG-UHFFFAOYSA-N 2 2 288.457 1.417 20 30 CDEDLP C=CCC[NH+](C)CCS(=O)(=O)CC[N@@H+](C)CCC=C ZINC000276513796 193363164 /nfs/dbraw/zinc/36/31/64/193363164.db2.gz XYBBLULEKPFFPG-UHFFFAOYSA-N 2 2 288.457 1.417 20 30 CDEDLP N#CCC[C@@H](C#N)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000572992607 371372877 /nfs/dbraw/zinc/37/28/77/371372877.db2.gz VEGBHIAVUGOKQC-AWEZNQCLSA-N 2 2 260.385 1.894 20 30 CDEDLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000361549691 374045318 /nfs/dbraw/zinc/04/53/18/374045318.db2.gz PBRODKUIOCVYFL-ZDUSSCGKSA-N 2 2 290.411 1.174 20 30 CDEDLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000361549691 374045322 /nfs/dbraw/zinc/04/53/22/374045322.db2.gz PBRODKUIOCVYFL-ZDUSSCGKSA-N 2 2 290.411 1.174 20 30 CDEDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(C#N)c1 ZINC000423517585 374387499 /nfs/dbraw/zinc/38/74/99/374387499.db2.gz OCGZMXDJJNYQQI-SWLSCSKDSA-N 2 2 258.369 1.112 20 30 CDEDLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000328845555 375984303 /nfs/dbraw/zinc/98/43/03/375984303.db2.gz QFMUAOGJYZDCSS-VXGBXAGGSA-N 2 2 264.373 1.792 20 30 CDEDLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000328845555 375984314 /nfs/dbraw/zinc/98/43/14/375984314.db2.gz QFMUAOGJYZDCSS-VXGBXAGGSA-N 2 2 264.373 1.792 20 30 CDEDLP C[C@H]1C[N@H+](CC2(C#N)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343576074 378930585 /nfs/dbraw/zinc/93/05/85/378930585.db2.gz AUJCLJJWPIVBCD-LSDHHAIUSA-N 2 2 276.428 1.248 20 30 CDEDLP C[C@H]1C[N@@H+](CC2(C#N)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343576074 378930589 /nfs/dbraw/zinc/93/05/89/378930589.db2.gz AUJCLJJWPIVBCD-LSDHHAIUSA-N 2 2 276.428 1.248 20 30 CDEDLP C[C@@H](CN1CC[NH+](C)CC1)/[NH+]=C/c1ccccc1O ZINC000106586409 390549639 /nfs/dbraw/zinc/54/96/39/390549639.db2.gz GFXZQVNAROROMN-XDUBLRSXSA-N 2 2 261.369 1.447 20 30 CDEDLP NC(=[NH+]OCCCO)c1ccccc1C[NH+]1CCCCC1 ZINC000270786054 391281046 /nfs/dbraw/zinc/28/10/46/391281046.db2.gz QDOJBIIHSBPMBD-UHFFFAOYSA-N 2 2 291.395 1.692 20 30 CDEDLP C=CC[C@@H](CC)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000346181330 391336493 /nfs/dbraw/zinc/33/64/93/391336493.db2.gz SRTBZSUAXCPMRJ-CQSZACIVSA-N 2 2 296.459 1.666 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788609 391471202 /nfs/dbraw/zinc/47/12/02/391471202.db2.gz NCMPAKIOTPFTAZ-IJEWVQPXSA-N 3 2 263.429 1.615 20 30 CDEDLP C[NH+]=C(NCc1cn[nH]c1C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261952064 391739551 /nfs/dbraw/zinc/73/95/51/391739551.db2.gz HRJFGEKUKOSHDQ-RISCZKNCSA-N 2 2 292.431 1.112 20 30 CDEDLP C[NH+]=C(NCc1cn[nH]c1C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261952064 391739554 /nfs/dbraw/zinc/73/95/54/391739554.db2.gz HRJFGEKUKOSHDQ-RISCZKNCSA-N 2 2 292.431 1.112 20 30 CDEDLP C#CCNC(=[NH+]CC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261968736 391744480 /nfs/dbraw/zinc/74/44/80/391744480.db2.gz MCYOFLRWMAAWLS-UONOGXRCSA-N 2 2 273.384 1.365 20 30 CDEDLP Cc1cc(NCC[C@H]2CCC[N@@H+](C)C2)c(C#N)c[nH+]1 ZINC000425274485 393013570 /nfs/dbraw/zinc/01/35/70/393013570.db2.gz ZXRIUASBSVQZHO-CYBMUJFWSA-N 2 2 258.369 1.827 20 30 CDEDLP Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)c(C#N)c[nH+]1 ZINC000425274485 393013573 /nfs/dbraw/zinc/01/35/73/393013573.db2.gz ZXRIUASBSVQZHO-CYBMUJFWSA-N 2 2 258.369 1.827 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000068800747 393057471 /nfs/dbraw/zinc/05/74/71/393057471.db2.gz QTJCCHGGYOWTNG-XJKSGUPXSA-N 2 2 272.396 1.455 20 30 CDEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000068800747 393057475 /nfs/dbraw/zinc/05/74/75/393057475.db2.gz QTJCCHGGYOWTNG-XJKSGUPXSA-N 2 2 272.396 1.455 20 30 CDEDLP C#CCNC(=[NH+]CC)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261968734 262759255 /nfs/dbraw/zinc/75/92/55/262759255.db2.gz MCYOFLRWMAAWLS-KGLIPLIRSA-N 2 2 273.384 1.365 20 30 CDEDLP C=CCc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc(OC)c1O ZINC000414847155 263063556 /nfs/dbraw/zinc/06/35/56/263063556.db2.gz OJCKIDPGPMVBQG-CQSZACIVSA-N 2 2 276.380 1.971 20 30 CDEDLP C=CCC[C@@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655773900 424547910 /nfs/dbraw/zinc/54/79/10/424547910.db2.gz KJFOZZRVLASVSM-LSDHHAIUSA-N 2 2 268.401 1.156 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267401351 328178362 /nfs/dbraw/zinc/17/83/62/328178362.db2.gz GBIZKOYXATVHFX-ZDUSSCGKSA-N 2 2 289.383 1.351 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267401351 328178364 /nfs/dbraw/zinc/17/83/64/328178364.db2.gz GBIZKOYXATVHFX-ZDUSSCGKSA-N 2 2 289.383 1.351 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOC2CCC2)cc1 ZINC000288764657 328253674 /nfs/dbraw/zinc/25/36/74/328253674.db2.gz ZGDIKEGNIJRPTQ-UHFFFAOYSA-N 2 2 291.395 1.954 20 30 CDEDLP Cn1c[nH+]cc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262321470 330005887 /nfs/dbraw/zinc/00/58/87/330005887.db2.gz SALXKEJMRQGGQW-CYBMUJFWSA-N 2 2 285.351 1.348 20 30 CDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCC[C@@H](C)C1 ZINC000262816521 330033709 /nfs/dbraw/zinc/03/37/09/330033709.db2.gz WYMRCYZCTXDIBF-CQSZACIVSA-N 2 2 298.500 1.733 20 30 CDEDLP C=CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccco1 ZINC000423582313 330212638 /nfs/dbraw/zinc/21/26/38/330212638.db2.gz ZVMJILXYQAOPID-OLZOCXBDSA-N 2 2 250.342 1.865 20 30 CDEDLP N#CCC[C@H](C#N)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000516761772 333082014 /nfs/dbraw/zinc/08/20/14/333082014.db2.gz NWIXSANEAIKOTC-CYBMUJFWSA-N 2 2 253.309 1.867 20 30 CDEDLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](C)C#N)CC1 ZINC000545916809 334005792 /nfs/dbraw/zinc/00/57/92/334005792.db2.gz FLFMDUUHFWAMCZ-LBPRGKRZSA-N 2 2 267.373 1.153 20 30 CDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000330198232 533762716 /nfs/dbraw/zinc/76/27/16/533762716.db2.gz SYSMSEOTBDKHMG-JHJVBQTASA-N 2 2 291.399 1.184 20 30 CDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000330198232 533762720 /nfs/dbraw/zinc/76/27/20/533762720.db2.gz SYSMSEOTBDKHMG-JHJVBQTASA-N 2 2 291.399 1.184 20 30 CDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000330198232 533762722 /nfs/dbraw/zinc/76/27/22/533762722.db2.gz SYSMSEOTBDKHMG-JHJVBQTASA-N 2 2 291.399 1.184 20 30 CDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000330198232 533762723 /nfs/dbraw/zinc/76/27/23/533762723.db2.gz SYSMSEOTBDKHMG-JHJVBQTASA-N 2 2 291.399 1.184 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000732092292 575079314 /nfs/dbraw/zinc/07/93/14/575079314.db2.gz JIAQIMGGTJLGAD-HNNXBMFYSA-N 2 2 296.374 1.357 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000732092292 575079316 /nfs/dbraw/zinc/07/93/16/575079316.db2.gz JIAQIMGGTJLGAD-HNNXBMFYSA-N 2 2 296.374 1.357 20 30 CDEDLP C1C[C@H]2C(N=NC3=[NH+][C@H]4CCCC[C@@H]4N3)CC[N@@H+]2C1 ZINC000765585391 576040946 /nfs/dbraw/zinc/04/09/46/576040946.db2.gz ZNHPFERFFCYIKD-GVXVVHGQSA-N 2 2 261.373 1.071 20 30 CDEDLP C1C[C@H]2C(N=NC3=[NH+][C@H]4CCCC[C@@H]4N3)CC[N@H+]2C1 ZINC000765585391 576040950 /nfs/dbraw/zinc/04/09/50/576040950.db2.gz ZNHPFERFFCYIKD-GVXVVHGQSA-N 2 2 261.373 1.071 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000746192010 576760882 /nfs/dbraw/zinc/76/08/82/576760882.db2.gz UKBDPSQCERJLPD-HNNXBMFYSA-N 2 2 279.428 1.274 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000764073469 576777877 /nfs/dbraw/zinc/77/78/77/576777877.db2.gz ZMQKADSEGMTACC-UHFFFAOYSA-N 2 2 288.395 1.416 20 30 CDEDLP C=C(C)CC[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000950962604 613257897 /nfs/dbraw/zinc/25/78/97/613257897.db2.gz SVGDTOOMPPIOCE-OAHLLOKOSA-N 2 2 290.411 1.945 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971781079 613368261 /nfs/dbraw/zinc/36/82/61/613368261.db2.gz HORQGEIPPCTUEQ-CHWSQXEVSA-N 2 2 287.835 1.612 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971781079 613368262 /nfs/dbraw/zinc/36/82/62/613368262.db2.gz HORQGEIPPCTUEQ-CHWSQXEVSA-N 2 2 287.835 1.612 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960583705 613382583 /nfs/dbraw/zinc/38/25/83/613382583.db2.gz XNROXZGLRZBSFB-RFQIPJPRSA-N 2 2 297.830 1.270 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000960583705 613382584 /nfs/dbraw/zinc/38/25/84/613382584.db2.gz XNROXZGLRZBSFB-RFQIPJPRSA-N 2 2 297.830 1.270 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960583705 613382585 /nfs/dbraw/zinc/38/25/85/613382585.db2.gz XNROXZGLRZBSFB-RFQIPJPRSA-N 2 2 297.830 1.270 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960583705 613382586 /nfs/dbraw/zinc/38/25/86/613382586.db2.gz XNROXZGLRZBSFB-RFQIPJPRSA-N 2 2 297.830 1.270 20 30 CDEDLP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948957888 613506777 /nfs/dbraw/zinc/50/67/77/613506777.db2.gz OXLBZOFFVMBMMI-CQSZACIVSA-N 2 2 288.395 1.166 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971817721 613631901 /nfs/dbraw/zinc/63/19/01/613631901.db2.gz JGYUQIXJXAGURQ-HIFRSBDPSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971817721 613631906 /nfs/dbraw/zinc/63/19/06/613631906.db2.gz JGYUQIXJXAGURQ-HIFRSBDPSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000957073228 613653858 /nfs/dbraw/zinc/65/38/58/613653858.db2.gz NCEUAAAJORPCFA-UHFFFAOYSA-N 2 2 293.455 1.826 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000949305964 613716351 /nfs/dbraw/zinc/71/63/51/613716351.db2.gz UEPSSYRUPWEUJW-UHFFFAOYSA-N 2 2 270.336 1.278 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477935 1162632045 /nfs/dbraw/zinc/63/20/45/1162632045.db2.gz OQBZYJPEHUORBG-UONOGXRCSA-N 2 2 290.411 1.506 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131653810 1162990511 /nfs/dbraw/zinc/99/05/11/1162990511.db2.gz VBBMFIGECYJDDD-UHFFFAOYSA-N 2 2 264.373 1.025 20 30 CDEDLP C#CC[N@H+](C[C@H]1CCC[C@@]2(CCOC2)O1)C1CC[NH2+]CC1 ZINC001574667274 1170999029 /nfs/dbraw/zinc/99/90/29/1170999029.db2.gz OKPURBHIRPMKFU-SJORKVTESA-N 2 2 292.423 1.402 20 30 CDEDLP C#CC[N@@H+](C[C@H]1CCC[C@@]2(CCOC2)O1)C1CC[NH2+]CC1 ZINC001574667274 1170999035 /nfs/dbraw/zinc/99/90/35/1170999035.db2.gz OKPURBHIRPMKFU-SJORKVTESA-N 2 2 292.423 1.402 20 30 CDEDLP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001690849787 1175591173 /nfs/dbraw/zinc/59/11/73/1175591173.db2.gz MGWUORPBWYDFAX-KBPBESRZSA-N 2 2 290.411 1.506 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752808033 1184918649 /nfs/dbraw/zinc/91/86/49/1184918649.db2.gz SKRVZCSXDWJIQP-LSDHHAIUSA-N 2 2 290.411 1.848 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001753335380 1185159845 /nfs/dbraw/zinc/15/98/45/1185159845.db2.gz VQIAOUOEHTZHKV-HNNXBMFYSA-N 2 2 290.411 1.678 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001753335380 1185159852 /nfs/dbraw/zinc/15/98/52/1185159852.db2.gz VQIAOUOEHTZHKV-HNNXBMFYSA-N 2 2 290.411 1.678 20 30 CDEDLP C#CC[NH2+]C[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753626908 1185275464 /nfs/dbraw/zinc/27/54/64/1185275464.db2.gz VKCGDDMMDKLVNP-LLVKDONJSA-N 2 2 273.380 1.596 20 30 CDEDLP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001753893135 1185384812 /nfs/dbraw/zinc/38/48/12/1185384812.db2.gz HDEAIFZWSXKQPG-OCCSQVGLSA-N 2 2 276.384 1.403 20 30 CDEDLP CC#CC[NH+]1CCC(C)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001754626836 1185688614 /nfs/dbraw/zinc/68/86/14/1185688614.db2.gz QSAULXLOOVYMRO-UHFFFAOYSA-N 2 2 288.395 1.336 20 30 CDEDLP C=CCC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001754656714 1185694044 /nfs/dbraw/zinc/69/40/44/1185694044.db2.gz UWCANJQOTJNDHK-HNNXBMFYSA-N 2 2 290.411 1.724 20 30 CDEDLP C=C(C)C[N@@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001755040767 1185796228 /nfs/dbraw/zinc/79/62/28/1185796228.db2.gz GDBQZRASYRTGEP-UHFFFAOYSA-N 2 2 278.400 1.630 20 30 CDEDLP C=C(C)C[N@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001755040767 1185796230 /nfs/dbraw/zinc/79/62/30/1185796230.db2.gz GDBQZRASYRTGEP-UHFFFAOYSA-N 2 2 278.400 1.630 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001755306492 1185907093 /nfs/dbraw/zinc/90/70/93/1185907093.db2.gz LTZXATFFUKCOKG-KGLIPLIRSA-N 2 2 290.411 1.458 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001755306492 1185907096 /nfs/dbraw/zinc/90/70/96/1185907096.db2.gz LTZXATFFUKCOKG-KGLIPLIRSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001030401830 783529170 /nfs/dbraw/zinc/52/91/70/783529170.db2.gz ZNGCXLINQLCXTN-AWEZNQCLSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001030401830 783529179 /nfs/dbraw/zinc/52/91/79/783529179.db2.gz ZNGCXLINQLCXTN-AWEZNQCLSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799558 782413362 /nfs/dbraw/zinc/41/33/62/782413362.db2.gz KGHQWGZSXODXSM-JOCQHMNTSA-N 2 2 262.357 1.086 20 30 CDEDLP Cc1cc(N[NH+]=C2CCCc3nc(N)ccc32)cc[nH+]1 ZINC000863160601 780888561 /nfs/dbraw/zinc/88/85/61/780888561.db2.gz LKCLETUUXQMFGU-UHFFFAOYSA-N 2 2 267.336 1.942 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989853782 782980554 /nfs/dbraw/zinc/98/05/54/782980554.db2.gz NNMZWXZVQMLOOY-STQMWFEESA-N 2 2 262.357 1.038 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC ZINC001038369398 783045963 /nfs/dbraw/zinc/04/59/63/783045963.db2.gz VHZCICOMVLPHNK-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC ZINC001038369398 783045967 /nfs/dbraw/zinc/04/59/67/783045967.db2.gz VHZCICOMVLPHNK-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC ZINC001038369398 783045970 /nfs/dbraw/zinc/04/59/70/783045970.db2.gz VHZCICOMVLPHNK-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC ZINC001038369398 783045973 /nfs/dbraw/zinc/04/59/73/783045973.db2.gz VHZCICOMVLPHNK-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C=C(C)C[C@H](CO)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000883388694 780357330 /nfs/dbraw/zinc/35/73/30/780357330.db2.gz ALGDBTIUCCEREJ-OAHLLOKOSA-N 2 2 275.396 1.967 20 30 CDEDLP C[NH+]1CCC([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000219797685 780487667 /nfs/dbraw/zinc/48/76/67/780487667.db2.gz ZAXDEUQXOZETQY-UHFFFAOYSA-N 2 2 284.407 1.774 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796613 780673643 /nfs/dbraw/zinc/67/36/43/780673643.db2.gz CMTXXUYNQYWIPC-OLZOCXBDSA-N 2 2 288.395 1.454 20 30 CDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796613 780673663 /nfs/dbraw/zinc/67/36/63/780673663.db2.gz CMTXXUYNQYWIPC-OLZOCXBDSA-N 2 2 288.395 1.454 20 30 CDEDLP C=C[C@H](C)ONC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000845636921 781014470 /nfs/dbraw/zinc/01/44/70/781014470.db2.gz SVOFCNMNSAMSQG-ZDUSSCGKSA-N 2 2 298.431 1.160 20 30 CDEDLP C=C[C@H](C)ONC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000845636921 781014482 /nfs/dbraw/zinc/01/44/82/781014482.db2.gz SVOFCNMNSAMSQG-ZDUSSCGKSA-N 2 2 298.431 1.160 20 30 CDEDLP C#CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883125129 781395702 /nfs/dbraw/zinc/39/57/02/781395702.db2.gz ZQSOOMMBQHJMAG-GOSISDBHSA-N 2 2 297.402 1.496 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034044058 781525065 /nfs/dbraw/zinc/52/50/65/781525065.db2.gz ZPIKPCZPTFSGIM-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034044058 781525076 /nfs/dbraw/zinc/52/50/76/781525076.db2.gz ZPIKPCZPTFSGIM-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034044058 781525101 /nfs/dbraw/zinc/52/51/01/781525101.db2.gz ZPIKPCZPTFSGIM-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034044058 781525113 /nfs/dbraw/zinc/52/51/13/781525113.db2.gz ZPIKPCZPTFSGIM-ZIAGYGMSSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999690349 781837119 /nfs/dbraw/zinc/83/71/19/781837119.db2.gz XFLVVEDBJMDLHS-UHFFFAOYSA-N 2 2 276.384 1.118 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037664 912512844 /nfs/dbraw/zinc/51/28/44/912512844.db2.gz MRHNPSHRBBUVJZ-UPJWGTAASA-N 2 2 285.819 1.270 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037664 912512847 /nfs/dbraw/zinc/51/28/47/912512847.db2.gz MRHNPSHRBBUVJZ-UPJWGTAASA-N 2 2 285.819 1.270 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089037664 912512858 /nfs/dbraw/zinc/51/28/58/912512858.db2.gz MRHNPSHRBBUVJZ-UPJWGTAASA-N 2 2 285.819 1.270 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089037664 912512869 /nfs/dbraw/zinc/51/28/69/912512869.db2.gz MRHNPSHRBBUVJZ-UPJWGTAASA-N 2 2 285.819 1.270 20 30 CDEDLP C[C@H](C#N)OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000311649958 912773046 /nfs/dbraw/zinc/77/30/46/912773046.db2.gz SPCONIYQNZXZFO-CQSZACIVSA-N 2 2 265.401 1.865 20 30 CDEDLP N#CCc1ccc(NC(=[NH2+])SCC[NH3+])cc1[N+](=O)[O-] ZINC001167912354 893924086 /nfs/dbraw/zinc/92/40/86/893924086.db2.gz MXLVMOLJVTVDCJ-UHFFFAOYSA-N 2 2 279.325 1.699 20 30 CDEDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000305792787 895524122 /nfs/dbraw/zinc/52/41/22/895524122.db2.gz ULVGPKNSYRLLFE-OCCSQVGLSA-N 2 2 277.368 1.162 20 30 CDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176175916 913979400 /nfs/dbraw/zinc/97/94/00/913979400.db2.gz RROLRIQELCPKLQ-CQSZACIVSA-N 2 2 290.411 1.251 20 30 CDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993585013 914374198 /nfs/dbraw/zinc/37/41/98/914374198.db2.gz BMNDOXPHPHCHGS-LSDHHAIUSA-N 2 2 288.395 1.184 20 30 CDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993585013 914374203 /nfs/dbraw/zinc/37/42/03/914374203.db2.gz BMNDOXPHPHCHGS-LSDHHAIUSA-N 2 2 288.395 1.184 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994056557 914421104 /nfs/dbraw/zinc/42/11/04/914421104.db2.gz PZHIMEYZDUBKQU-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994056557 914421109 /nfs/dbraw/zinc/42/11/09/914421109.db2.gz PZHIMEYZDUBKQU-HOTGVXAUSA-N 2 2 291.439 1.321 20 30 CDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028100167 901336113 /nfs/dbraw/zinc/33/61/13/901336113.db2.gz AGRXZAXYGDTXJU-AWEZNQCLSA-N 2 2 291.395 1.721 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028100167 901336122 /nfs/dbraw/zinc/33/61/22/901336122.db2.gz AGRXZAXYGDTXJU-AWEZNQCLSA-N 2 2 291.395 1.721 20 30 CDEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(CCC#N)CC1)C2 ZINC001172122746 911315341 /nfs/dbraw/zinc/31/53/41/911315341.db2.gz UDZWXHWYFKSFRF-ZSHCYNCHSA-N 2 2 276.428 1.533 20 30 CDEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(CCC#N)CC1)C2 ZINC001172122746 911315361 /nfs/dbraw/zinc/31/53/61/911315361.db2.gz UDZWXHWYFKSFRF-ZSHCYNCHSA-N 2 2 276.428 1.533 20 30 CDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001032433074 919130026 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30 CDEDLP CC(C)C#CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827347846 936588465 /nfs/dbraw/zinc/58/84/65/936588465.db2.gz VGQRHHJMRVNBJZ-MRXNPFEDSA-N 2 2 291.439 1.273 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000999534410 919765354 /nfs/dbraw/zinc/76/53/54/919765354.db2.gz DWJMLLPUALAISI-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP Cn1cc(C[NH+]2CC(C)(C[NH3+])C2)c2cc(C#N)ccc21 ZINC001206737195 936633743 /nfs/dbraw/zinc/63/37/43/936633743.db2.gz MDIQJXDZASBUAR-UHFFFAOYSA-N 2 2 268.364 1.831 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092563 920363356 /nfs/dbraw/zinc/36/33/56/920363356.db2.gz WVVJBGWFQJBYLA-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1F ZINC001140139129 936682272 /nfs/dbraw/zinc/68/22/72/936682272.db2.gz HEIGUHSNIBQLRS-UHFFFAOYSA-N 2 2 290.386 1.377 20 30 CDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1F ZINC001140139129 936682273 /nfs/dbraw/zinc/68/22/73/936682273.db2.gz HEIGUHSNIBQLRS-UHFFFAOYSA-N 2 2 290.386 1.377 20 30 CDEDLP C#CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000775401335 922113160 /nfs/dbraw/zinc/11/31/60/922113160.db2.gz SJCSVTXSEZHPQC-INIZCTEOSA-N 2 2 285.391 1.115 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033665091 922302613 /nfs/dbraw/zinc/30/26/13/922302613.db2.gz LRWFGWWILHZAIW-ZDUSSCGKSA-N 2 2 296.802 1.477 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033665091 922302628 /nfs/dbraw/zinc/30/26/28/922302628.db2.gz LRWFGWWILHZAIW-ZDUSSCGKSA-N 2 2 296.802 1.477 20 30 CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001036107914 923102220 /nfs/dbraw/zinc/10/22/20/923102220.db2.gz WXBBCNVFIAVHRB-KBPBESRZSA-N 2 2 296.374 1.408 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001036124955 923105349 /nfs/dbraw/zinc/10/53/49/923105349.db2.gz JUTBMDGSVUSBBJ-LSDHHAIUSA-N 2 2 290.411 1.676 20 30 CDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCCO1 ZINC000775575071 923442487 /nfs/dbraw/zinc/44/24/87/923442487.db2.gz UOCXVUDKOQRJOE-HZPDHXFCSA-N 2 2 262.397 1.631 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001410429218 925650060 /nfs/dbraw/zinc/65/00/60/925650060.db2.gz NOPKWAYNAOGDJW-LBPRGKRZSA-N 2 2 298.818 1.542 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031138 937037583 /nfs/dbraw/zinc/03/75/83/937037583.db2.gz UELIQPQXPDZFLM-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031138 937037586 /nfs/dbraw/zinc/03/75/86/937037586.db2.gz UELIQPQXPDZFLM-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031138 937037589 /nfs/dbraw/zinc/03/75/89/937037589.db2.gz UELIQPQXPDZFLM-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031138 937037592 /nfs/dbraw/zinc/03/75/92/937037592.db2.gz UELIQPQXPDZFLM-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644609 927743864 /nfs/dbraw/zinc/74/38/64/927743864.db2.gz STKRJQDDRDZVFU-KFWWJZLASA-N 2 2 286.379 1.087 20 30 CDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644609 927743871 /nfs/dbraw/zinc/74/38/71/927743871.db2.gz STKRJQDDRDZVFU-KFWWJZLASA-N 2 2 286.379 1.087 20 30 CDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644609 927743877 /nfs/dbraw/zinc/74/38/77/927743877.db2.gz STKRJQDDRDZVFU-KFWWJZLASA-N 2 2 286.379 1.087 20 30 CDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644609 927743880 /nfs/dbraw/zinc/74/38/80/927743880.db2.gz STKRJQDDRDZVFU-KFWWJZLASA-N 2 2 286.379 1.087 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111727736 937222552 /nfs/dbraw/zinc/22/25/52/937222552.db2.gz JORHXXICQFKKIZ-BBRMVZONSA-N 2 2 288.395 1.499 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111727736 937222556 /nfs/dbraw/zinc/22/25/56/937222556.db2.gz JORHXXICQFKKIZ-BBRMVZONSA-N 2 2 288.395 1.499 20 30 CDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135074430 930034502 /nfs/dbraw/zinc/03/45/02/930034502.db2.gz NKMATISIRMWFQN-CHWSQXEVSA-N 2 2 278.400 1.412 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001091031268 931726651 /nfs/dbraw/zinc/72/66/51/931726651.db2.gz OQVRPTRYLFFUEK-UHFFFAOYSA-N 2 2 298.390 1.927 20 30 CDEDLP CC[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C#N)C[C@H](CC)[NH2+]1 ZINC001246596993 932050934 /nfs/dbraw/zinc/05/09/34/932050934.db2.gz ZYYIUFVIAILDJY-ZOBORPQBSA-N 2 2 250.390 1.093 20 30 CDEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001095624554 932733572 /nfs/dbraw/zinc/73/35/72/932733572.db2.gz HCUDMBIAKROGHP-CBBWQLFWSA-N 2 2 277.412 1.378 20 30 CDEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001095624554 932733577 /nfs/dbraw/zinc/73/35/77/932733577.db2.gz HCUDMBIAKROGHP-CBBWQLFWSA-N 2 2 277.412 1.378 20 30 CDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001095624554 932733584 /nfs/dbraw/zinc/73/35/84/932733584.db2.gz HCUDMBIAKROGHP-CBBWQLFWSA-N 2 2 277.412 1.378 20 30 CDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001095624554 932733588 /nfs/dbraw/zinc/73/35/88/932733588.db2.gz HCUDMBIAKROGHP-CBBWQLFWSA-N 2 2 277.412 1.378 20 30 CDEDLP CC(C)NC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000303793060 935043723 /nfs/dbraw/zinc/04/37/23/935043723.db2.gz YWXBVNQNXBZSFI-UHFFFAOYSA-N 2 2 282.432 1.334 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996160 935598029 /nfs/dbraw/zinc/59/80/29/935598029.db2.gz FKDCFGYVSOXTQC-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996160 935598031 /nfs/dbraw/zinc/59/80/31/935598031.db2.gz FKDCFGYVSOXTQC-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040553506 935788810 /nfs/dbraw/zinc/78/88/10/935788810.db2.gz YLVRBHKKWYSNGB-MRXNPFEDSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040553506 935788813 /nfs/dbraw/zinc/78/88/13/935788813.db2.gz YLVRBHKKWYSNGB-MRXNPFEDSA-N 2 2 288.395 1.384 20 30 CDEDLP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046393443 935947096 /nfs/dbraw/zinc/94/70/96/935947096.db2.gz GWGCMSXCMSGHRG-XJKCOSOUSA-N 2 2 286.379 1.117 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046393443 935947099 /nfs/dbraw/zinc/94/70/99/935947099.db2.gz GWGCMSXCMSGHRG-XJKCOSOUSA-N 2 2 286.379 1.117 20 30 CDEDLP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001046393443 935947100 /nfs/dbraw/zinc/94/71/00/935947100.db2.gz GWGCMSXCMSGHRG-XJKCOSOUSA-N 2 2 286.379 1.117 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001046393443 935947103 /nfs/dbraw/zinc/94/71/03/935947103.db2.gz GWGCMSXCMSGHRG-XJKCOSOUSA-N 2 2 286.379 1.117 20 30 CDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121020026 937853573 /nfs/dbraw/zinc/85/35/73/937853573.db2.gz LOONWNVGPHPIDY-UHFFFAOYSA-N 2 2 288.395 1.545 20 30 CDEDLP Cc1ccnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1C#N ZINC001156176875 938328832 /nfs/dbraw/zinc/32/88/32/938328832.db2.gz VNSFLEDAUPEGOM-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(Cl)c1 ZINC001205724918 939926829 /nfs/dbraw/zinc/92/68/29/939926829.db2.gz AMAQRYBWHGYAOT-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(Cl)c1 ZINC001205724918 939926831 /nfs/dbraw/zinc/92/68/31/939926831.db2.gz AMAQRYBWHGYAOT-HNNXBMFYSA-N 2 2 293.798 1.887 20 30 CDEDLP C#CC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206430610 940038152 /nfs/dbraw/zinc/03/81/52/940038152.db2.gz AHRWMTQKGHSPAF-CQSZACIVSA-N 2 2 288.395 1.296 20 30 CDEDLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C#N)n(C)c3)C[C@@H]2C1 ZINC001207110479 940152010 /nfs/dbraw/zinc/15/20/10/940152010.db2.gz OFMWVLJHMSILPF-GASCZTMLSA-N 2 2 272.396 1.670 20 30 CDEDLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C#N)n(C)c3)C[C@@H]2C1 ZINC001207110479 940152013 /nfs/dbraw/zinc/15/20/13/940152013.db2.gz OFMWVLJHMSILPF-GASCZTMLSA-N 2 2 272.396 1.670 20 30 CDEDLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)C[C@@H]2C1 ZINC001207110479 940152015 /nfs/dbraw/zinc/15/20/15/940152015.db2.gz OFMWVLJHMSILPF-GASCZTMLSA-N 2 2 272.396 1.670 20 30 CDEDLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C#N)n(C)c3)C[C@@H]2C1 ZINC001207110479 940152018 /nfs/dbraw/zinc/15/20/18/940152018.db2.gz OFMWVLJHMSILPF-GASCZTMLSA-N 2 2 272.396 1.670 20 30 CDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208365992 940325229 /nfs/dbraw/zinc/32/52/29/940325229.db2.gz VJMNEZIVIQTTSJ-BFHYXJOUSA-N 2 2 286.379 1.117 20 30 CDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365992 940325234 /nfs/dbraw/zinc/32/52/34/940325234.db2.gz VJMNEZIVIQTTSJ-BFHYXJOUSA-N 2 2 286.379 1.117 20 30 CDEDLP Cc1cc(C#N)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)s1 ZINC001218554557 941235682 /nfs/dbraw/zinc/23/56/82/941235682.db2.gz LRWHSRMKDIFSMC-UHFFFAOYSA-N 2 2 278.381 1.208 20 30 CDEDLP N#CCc1cccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c1 ZINC001218987067 941296928 /nfs/dbraw/zinc/29/69/28/941296928.db2.gz BPQIFEDATNWPMF-MRXNPFEDSA-N 2 2 294.358 1.963 20 30 CDEDLP C=CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1ccccc1 ZINC001221358367 941521680 /nfs/dbraw/zinc/52/16/80/941521680.db2.gz MWIMSCFNMWPSRZ-JKSUJKDBSA-N 2 2 298.390 1.724 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226697460 942050945 /nfs/dbraw/zinc/05/09/45/942050945.db2.gz VVUBUNULQRJSBX-HUUCEWRRSA-N 2 2 288.395 1.383 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226697460 942050949 /nfs/dbraw/zinc/05/09/49/942050949.db2.gz VVUBUNULQRJSBX-HUUCEWRRSA-N 2 2 288.395 1.383 20 30 CDEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235058907 944031901 /nfs/dbraw/zinc/03/19/01/944031901.db2.gz ARMJBJCPDRESCM-INIZCTEOSA-N 2 2 270.380 1.004 20 30 CDEDLP Cc1cc(C#N)ccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235058907 944031904 /nfs/dbraw/zinc/03/19/04/944031904.db2.gz ARMJBJCPDRESCM-INIZCTEOSA-N 2 2 270.380 1.004 20 30 CDEDLP Cn1cc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c2cc(C#N)ccc21 ZINC001235990576 944355362 /nfs/dbraw/zinc/35/53/62/944355362.db2.gz MRYWBOOTOJENPF-PBHICJAKSA-N 2 2 280.375 1.973 20 30 CDEDLP Cn1cc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c2cc(C#N)ccc21 ZINC001235990576 944355370 /nfs/dbraw/zinc/35/53/70/944355370.db2.gz MRYWBOOTOJENPF-PBHICJAKSA-N 2 2 280.375 1.973 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])c2cc(C#N)ccc21 ZINC001236253682 944438253 /nfs/dbraw/zinc/43/82/53/944438253.db2.gz YJJIGIPVKAPINO-CQSZACIVSA-N 2 2 268.364 1.973 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[C@@H]2C[NH3+])c2cc(C#N)ccc21 ZINC001236253682 944438258 /nfs/dbraw/zinc/43/82/58/944438258.db2.gz YJJIGIPVKAPINO-CQSZACIVSA-N 2 2 268.364 1.973 20 30 CDEDLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001246400375 948154470 /nfs/dbraw/zinc/15/44/70/948154470.db2.gz FIAQYYSSVIZCDA-DOMZBBRYSA-N 2 2 289.379 1.359 20 30 CDEDLP SCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC001256583720 948354733 /nfs/dbraw/zinc/35/47/33/948354733.db2.gz LXQVZZRGCINKEA-UHFFFAOYSA-N 2 2 265.426 1.956 20 30 CDEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CSCC#N ZINC001251862609 950886577 /nfs/dbraw/zinc/88/65/77/950886577.db2.gz PYOJMINGCBLULD-UHFFFAOYSA-N 2 2 287.348 1.771 20 30 CDEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001252470738 951322459 /nfs/dbraw/zinc/32/24/59/951322459.db2.gz OKVLIGQEVNKQCH-OAHLLOKOSA-N 2 2 268.401 1.109 20 30 CDEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001252470738 951322473 /nfs/dbraw/zinc/32/24/73/951322473.db2.gz OKVLIGQEVNKQCH-OAHLLOKOSA-N 2 2 268.401 1.109 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC001253215876 951816298 /nfs/dbraw/zinc/81/62/98/951816298.db2.gz AXDKOAOYHOQAFD-GFCCVEGCSA-N 2 2 267.398 1.412 20 30 CDEDLP C=C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001253610096 951996708 /nfs/dbraw/zinc/99/67/08/951996708.db2.gz AJYNIWSPQSVKIA-GVDBMIGSSA-N 2 2 290.407 1.412 20 30 CDEDLP C=C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001253610096 951996714 /nfs/dbraw/zinc/99/67/14/951996714.db2.gz AJYNIWSPQSVKIA-GVDBMIGSSA-N 2 2 290.407 1.412 20 30 CDEDLP N#CCCC[C@H]([NH3+])c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001325895311 954129525 /nfs/dbraw/zinc/12/95/25/954129525.db2.gz GZFKSGMMBCMAHS-RYUDHWBXSA-N 2 2 275.356 1.572 20 30 CDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001366613607 957037062 /nfs/dbraw/zinc/03/70/62/957037062.db2.gz LEGFRTHJXLNVHX-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001366613607 957037079 /nfs/dbraw/zinc/03/70/79/957037079.db2.gz LEGFRTHJXLNVHX-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001366613607 957037096 /nfs/dbraw/zinc/03/70/96/957037096.db2.gz LEGFRTHJXLNVHX-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001366613607 957037112 /nfs/dbraw/zinc/03/71/12/957037112.db2.gz LEGFRTHJXLNVHX-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319608579 958651653 /nfs/dbraw/zinc/65/16/53/958651653.db2.gz RTFHRAARCZBMLU-AWEZNQCLSA-N 2 2 286.379 1.016 20 30 CDEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319608579 958651656 /nfs/dbraw/zinc/65/16/56/958651656.db2.gz RTFHRAARCZBMLU-AWEZNQCLSA-N 2 2 286.379 1.016 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001346262394 965018995 /nfs/dbraw/zinc/01/89/95/965018995.db2.gz CCXGOKNZWPKXNR-AWEZNQCLSA-N 2 2 277.412 1.123 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001346262394 965019005 /nfs/dbraw/zinc/01/90/05/965019005.db2.gz CCXGOKNZWPKXNR-AWEZNQCLSA-N 2 2 277.412 1.123 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001448119740 967003098 /nfs/dbraw/zinc/00/30/98/967003098.db2.gz TYPIXEWJIXQEAG-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CCC ZINC001448119740 967003105 /nfs/dbraw/zinc/00/31/05/967003105.db2.gz TYPIXEWJIXQEAG-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CCC ZINC001448119740 967003113 /nfs/dbraw/zinc/00/31/13/967003113.db2.gz TYPIXEWJIXQEAG-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CCC ZINC001448119740 967003119 /nfs/dbraw/zinc/00/31/19/967003119.db2.gz TYPIXEWJIXQEAG-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001389879209 976029050 /nfs/dbraw/zinc/02/90/50/976029050.db2.gz BWSVACNLLNEDNR-DLOVCJGASA-N 2 2 296.802 1.578 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001393641972 977878508 /nfs/dbraw/zinc/87/85/08/977878508.db2.gz DJGRSTOTXQJQTP-UHFFFAOYSA-N 2 2 298.818 1.495 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001393641972 977878514 /nfs/dbraw/zinc/87/85/14/977878514.db2.gz DJGRSTOTXQJQTP-UHFFFAOYSA-N 2 2 298.818 1.495 20 30 CDEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132542581 1163353364 /nfs/dbraw/zinc/35/33/64/1163353364.db2.gz REOABEJLWZDARJ-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132542581 1163353368 /nfs/dbraw/zinc/35/33/68/1163353368.db2.gz REOABEJLWZDARJ-CABCVRRESA-N 2 2 290.411 1.818 20 30 CDEDLP CC#CC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001574961969 1171063282 /nfs/dbraw/zinc/06/32/82/1171063282.db2.gz CAQOZYZNCDZJLO-INIZCTEOSA-N 2 2 285.391 1.072 20 30 CDEDLP C=CCOc1cccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c1 ZINC000623836060 342027276 /nfs/dbraw/zinc/02/72/76/342027276.db2.gz JUGZNQZEWATJFJ-HNNXBMFYSA-N 2 2 276.380 1.408 20 30 CDEDLP C=CCOc1cccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c1 ZINC000623836060 342027277 /nfs/dbraw/zinc/02/72/77/342027277.db2.gz JUGZNQZEWATJFJ-HNNXBMFYSA-N 2 2 276.380 1.408 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000066242339 342169925 /nfs/dbraw/zinc/16/99/25/342169925.db2.gz MKCJNINWSZXOTQ-OAHLLOKOSA-N 2 2 274.412 1.942 20 30 CDEDLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598728649 343887118 /nfs/dbraw/zinc/88/71/18/343887118.db2.gz DZLRHUUGNUQMPW-OLZOCXBDSA-N 2 2 253.390 1.361 20 30 CDEDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598728649 343887119 /nfs/dbraw/zinc/88/71/19/343887119.db2.gz DZLRHUUGNUQMPW-OLZOCXBDSA-N 2 2 253.390 1.361 20 30 CDEDLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602656445 344518308 /nfs/dbraw/zinc/51/83/08/344518308.db2.gz UIFRAVGHHBJFBS-STQMWFEESA-N 2 2 253.390 1.625 20 30 CDEDLP CC[C@@H](C)NC(NCc1cn2c([nH+]1)CCCC2)=[NH+]C ZINC000263277693 362445092 /nfs/dbraw/zinc/44/50/92/362445092.db2.gz ZCFMBHABKYRWAU-LLVKDONJSA-N 2 2 263.389 1.683 20 30 CDEDLP C=C[C@@H](C(=O)OC)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603114449 344712256 /nfs/dbraw/zinc/71/22/56/344712256.db2.gz AMDABRKDHMMXKP-AWEZNQCLSA-N 2 2 268.401 1.912 20 30 CDEDLP C=C[C@@H](C(=O)OC)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603114449 344712259 /nfs/dbraw/zinc/71/22/59/344712259.db2.gz AMDABRKDHMMXKP-AWEZNQCLSA-N 2 2 268.401 1.912 20 30 CDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910150 350326270 /nfs/dbraw/zinc/32/62/70/350326270.db2.gz KVQCVEODEHSZTC-BNOWGMLFSA-N 2 2 284.363 1.036 20 30 CDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910150 350326271 /nfs/dbraw/zinc/32/62/71/350326271.db2.gz KVQCVEODEHSZTC-BNOWGMLFSA-N 2 2 284.363 1.036 20 30 CDEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)N1CCOCC1 ZINC000264098972 362966629 /nfs/dbraw/zinc/96/66/29/362966629.db2.gz NNHCRRBVWSVHDE-UHFFFAOYSA-N 2 2 285.351 1.019 20 30 CDEDLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328959349 538443793 /nfs/dbraw/zinc/44/37/93/538443793.db2.gz OXMPVLJGAGBEEX-OLZOCXBDSA-N 2 2 292.383 1.123 20 30 CDEDLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328959349 538443795 /nfs/dbraw/zinc/44/37/95/538443795.db2.gz OXMPVLJGAGBEEX-OLZOCXBDSA-N 2 2 292.383 1.123 20 30 CDEDLP COCC#CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000677819979 482795110 /nfs/dbraw/zinc/79/51/10/482795110.db2.gz QXGJDFXWCMLMKP-HOCLYGCPSA-N 2 2 262.397 1.585 20 30 CDEDLP COCC#CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000677819979 482795117 /nfs/dbraw/zinc/79/51/17/482795117.db2.gz QXGJDFXWCMLMKP-HOCLYGCPSA-N 2 2 262.397 1.585 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)c1ccccc1 ZINC000294905667 199241977 /nfs/dbraw/zinc/24/19/77/199241977.db2.gz FVQSXADHUZYCIJ-MRXNPFEDSA-N 2 2 260.381 1.919 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](COC)c1ccccc1 ZINC000294905667 199241978 /nfs/dbraw/zinc/24/19/78/199241978.db2.gz FVQSXADHUZYCIJ-MRXNPFEDSA-N 2 2 260.381 1.919 20 30 CDEDLP C=CCN1CC[C@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1=O ZINC000337225802 360037599 /nfs/dbraw/zinc/03/75/99/360037599.db2.gz OUUZKWMDHRIFHP-KBPBESRZSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+](C)CC[C@@H]2CCC[NH+]2C)C1=O ZINC000337225802 360037601 /nfs/dbraw/zinc/03/76/01/360037601.db2.gz OUUZKWMDHRIFHP-KBPBESRZSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC000337225802 360037606 /nfs/dbraw/zinc/03/76/06/360037606.db2.gz OUUZKWMDHRIFHP-KBPBESRZSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@H]([NH+](C)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000337225802 360037611 /nfs/dbraw/zinc/03/76/11/360037611.db2.gz OUUZKWMDHRIFHP-KBPBESRZSA-N 2 2 265.401 1.189 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000338992319 361181932 /nfs/dbraw/zinc/18/19/32/361181932.db2.gz ICJQMVUTGCJHGZ-OWCLPIDISA-N 2 2 277.412 1.723 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000338992319 361181937 /nfs/dbraw/zinc/18/19/37/361181937.db2.gz ICJQMVUTGCJHGZ-OWCLPIDISA-N 2 2 277.412 1.723 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000548312466 366888932 /nfs/dbraw/zinc/88/89/32/366888932.db2.gz SSRMQUSCOAMNOM-JTQLQIEISA-N 2 2 258.350 1.921 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(C#N)c(F)c1 ZINC000271935486 367038184 /nfs/dbraw/zinc/03/81/84/367038184.db2.gz JWTIUWZKYRBBEA-IUODEOHRSA-N 2 2 290.386 1.594 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)c(F)c1 ZINC000271935486 367038189 /nfs/dbraw/zinc/03/81/89/367038189.db2.gz JWTIUWZKYRBBEA-IUODEOHRSA-N 2 2 290.386 1.594 20 30 CDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000305099206 370859663 /nfs/dbraw/zinc/85/96/63/370859663.db2.gz XABQSRYQMXJXEF-HOTGVXAUSA-N 2 2 282.428 1.358 20 30 CDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000305099206 370859668 /nfs/dbraw/zinc/85/96/68/370859668.db2.gz XABQSRYQMXJXEF-HOTGVXAUSA-N 2 2 282.428 1.358 20 30 CDEDLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCOCC1 ZINC000075127873 367710714 /nfs/dbraw/zinc/71/07/14/367710714.db2.gz SEMHRFQYZZRQFO-UHFFFAOYSA-N 2 2 299.378 1.078 20 30 CDEDLP C[C@H](CC(=O)N(CCC#N)CCC[NH+](C)C)n1cc[nH+]c1 ZINC000579250384 372555757 /nfs/dbraw/zinc/55/57/57/372555757.db2.gz UYXFCJWVVGRLHX-CQSZACIVSA-N 2 2 291.399 1.528 20 30 CDEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000183832966 372645709 /nfs/dbraw/zinc/64/57/09/372645709.db2.gz JNDDTYDHHJJWMF-CYBMUJFWSA-N 2 2 258.369 1.795 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000289730948 378347714 /nfs/dbraw/zinc/34/77/14/378347714.db2.gz GFYWMSWBPPTBBX-FVQBIDKESA-N 2 2 260.381 1.786 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000289730948 378347719 /nfs/dbraw/zinc/34/77/19/378347719.db2.gz GFYWMSWBPPTBBX-FVQBIDKESA-N 2 2 260.381 1.786 20 30 CDEDLP CN(C)C(=[NH+]C[C@H](c1cccc(F)c1)[NH+](C)C)N(C)C ZINC000262322440 391089869 /nfs/dbraw/zinc/08/98/69/391089869.db2.gz QNXLSZPRBSOQAN-CQSZACIVSA-N 2 2 280.391 1.908 20 30 CDEDLP CC#CCC[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000353018413 391321485 /nfs/dbraw/zinc/32/14/85/391321485.db2.gz DTHCIUQRZWORLZ-UHFFFAOYSA-N 2 2 282.428 1.459 20 30 CDEDLP C[C@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+]1CCSCC1 ZINC000328999781 391403894 /nfs/dbraw/zinc/40/38/94/391403894.db2.gz VLRURZIZZFLFPG-SNVBAGLBSA-N 2 2 268.386 1.346 20 30 CDEDLP CCC[NH+]1CCC(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000330391882 391414103 /nfs/dbraw/zinc/41/41/03/391414103.db2.gz AHGYRNYQCISLGJ-ZDUSSCGKSA-N 2 2 293.415 1.650 20 30 CDEDLP CCC[NH+]1CCC([NH+]=C([O-])N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000330391882 391414107 /nfs/dbraw/zinc/41/41/07/391414107.db2.gz AHGYRNYQCISLGJ-ZDUSSCGKSA-N 2 2 293.415 1.650 20 30 CDEDLP CCC[NH+]1CCC(NC([O-])=[NH+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000330391882 391414111 /nfs/dbraw/zinc/41/41/11/391414111.db2.gz AHGYRNYQCISLGJ-ZDUSSCGKSA-N 2 2 293.415 1.650 20 30 CDEDLP C=CCCn1cc(C[NH2+]CCC[N@@H+](C)C(C)C)nn1 ZINC000657303935 414139717 /nfs/dbraw/zinc/13/97/17/414139717.db2.gz CDJZADCFGWQGDB-UHFFFAOYSA-N 2 2 265.405 1.674 20 30 CDEDLP C=CCCn1cc(C[NH2+]CCC[N@H+](C)C(C)C)nn1 ZINC000657303935 414139727 /nfs/dbraw/zinc/13/97/27/414139727.db2.gz CDJZADCFGWQGDB-UHFFFAOYSA-N 2 2 265.405 1.674 20 30 CDEDLP C#CCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372943655 262278773 /nfs/dbraw/zinc/27/87/73/262278773.db2.gz SZMYFJJSZJKRLK-CQSZACIVSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372943655 262278775 /nfs/dbraw/zinc/27/87/75/262278775.db2.gz SZMYFJJSZJKRLK-CQSZACIVSA-N 2 2 277.412 1.075 20 30 CDEDLP C[C@H]1C[NH+]=C(NCCCc2[nH]c3ccccc3[nH+]2)N1 ZINC000285210637 263091233 /nfs/dbraw/zinc/09/12/33/263091233.db2.gz WSXVPSZJURDIEN-JTQLQIEISA-N 2 2 257.341 1.433 20 30 CDEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC(C)C ZINC000072594767 264269112 /nfs/dbraw/zinc/26/91/12/264269112.db2.gz ZCXYYEQJPKEVCH-UHFFFAOYSA-N 2 2 277.416 1.725 20 30 CDEDLP Cc1cc(NCCC2CC[NH+](C)CC2)c(C#N)c[nH+]1 ZINC000399474612 267300362 /nfs/dbraw/zinc/30/03/62/267300362.db2.gz WUDYNVOALPKWNQ-UHFFFAOYSA-N 2 2 258.369 1.827 20 30 CDEDLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000447535646 288049983 /nfs/dbraw/zinc/04/99/83/288049983.db2.gz HMJXEISSBGJOAA-IRXDYDNUSA-N 2 2 286.423 1.845 20 30 CDEDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000447535646 288049984 /nfs/dbraw/zinc/04/99/84/288049984.db2.gz HMJXEISSBGJOAA-IRXDYDNUSA-N 2 2 286.423 1.845 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000177905018 329189833 /nfs/dbraw/zinc/18/98/33/329189833.db2.gz AESQNVSSADLGSG-HIFRSBDPSA-N 3 2 251.418 1.709 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000177905018 329189834 /nfs/dbraw/zinc/18/98/34/329189834.db2.gz AESQNVSSADLGSG-HIFRSBDPSA-N 3 2 251.418 1.709 20 30 CDEDLP C=CCN1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000177905018 329189836 /nfs/dbraw/zinc/18/98/36/329189836.db2.gz AESQNVSSADLGSG-HIFRSBDPSA-N 2 2 251.418 1.709 20 30 CDEDLP C=CCN1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000177905018 329189837 /nfs/dbraw/zinc/18/98/37/329189837.db2.gz AESQNVSSADLGSG-HIFRSBDPSA-N 2 2 251.418 1.709 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000328127064 330322663 /nfs/dbraw/zinc/32/26/63/330322663.db2.gz UROSGSGKOUYDKR-QLFBSQMISA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000328127064 330322664 /nfs/dbraw/zinc/32/26/64/330322664.db2.gz UROSGSGKOUYDKR-QLFBSQMISA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000328127064 330322665 /nfs/dbraw/zinc/32/26/65/330322665.db2.gz UROSGSGKOUYDKR-QLFBSQMISA-N 3 2 251.418 1.260 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000328127064 330322666 /nfs/dbraw/zinc/32/26/66/330322666.db2.gz UROSGSGKOUYDKR-QLFBSQMISA-N 3 2 251.418 1.260 20 30 CDEDLP C=CC(C)(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000450041976 330959546 /nfs/dbraw/zinc/95/95/46/330959546.db2.gz JTECCXPWCOKLMY-UHFFFAOYSA-N 2 2 267.417 1.341 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000491419472 332208341 /nfs/dbraw/zinc/20/83/41/332208341.db2.gz UYNZXTJUQGBYSC-OAHLLOKOSA-N 2 2 287.407 1.236 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000491419472 332208342 /nfs/dbraw/zinc/20/83/42/332208342.db2.gz UYNZXTJUQGBYSC-OAHLLOKOSA-N 2 2 287.407 1.236 20 30 CDEDLP CCC#C[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000677802476 482778555 /nfs/dbraw/zinc/77/85/55/482778555.db2.gz LINNVNOGSYTDHL-LSDHHAIUSA-N 2 2 250.386 1.442 20 30 CDEDLP CCC#C[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000677802476 482778559 /nfs/dbraw/zinc/77/85/59/482778559.db2.gz LINNVNOGSYTDHL-LSDHHAIUSA-N 2 2 250.386 1.442 20 30 CDEDLP COCC#CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000677819979 482795100 /nfs/dbraw/zinc/79/51/00/482795100.db2.gz QXGJDFXWCMLMKP-HOCLYGCPSA-N 2 2 262.397 1.585 20 30 CDEDLP COCC#CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000677819979 482795105 /nfs/dbraw/zinc/79/51/05/482795105.db2.gz QXGJDFXWCMLMKP-HOCLYGCPSA-N 2 2 262.397 1.585 20 30 CDEDLP Clc1ccc(C#CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000674249476 482976185 /nfs/dbraw/zinc/97/61/85/482976185.db2.gz WKTWYPQFHRNCDI-OKILXGFUSA-N 2 2 260.768 1.843 20 30 CDEDLP Clc1ccc(C#CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000674249476 482976187 /nfs/dbraw/zinc/97/61/87/482976187.db2.gz WKTWYPQFHRNCDI-OKILXGFUSA-N 2 2 260.768 1.843 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332020233 528848760 /nfs/dbraw/zinc/84/87/60/528848760.db2.gz QRTCMEGAGIFLJO-GDBMZVCRSA-N 2 2 294.443 1.457 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332020233 528848769 /nfs/dbraw/zinc/84/87/69/528848769.db2.gz QRTCMEGAGIFLJO-GDBMZVCRSA-N 2 2 294.443 1.457 20 30 CDEDLP CC(C)[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330274073 529027981 /nfs/dbraw/zinc/02/79/81/529027981.db2.gz JOBVUKJFEPQFAM-CYBMUJFWSA-N 2 2 291.399 1.138 20 30 CDEDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000783299223 782184537 /nfs/dbraw/zinc/18/45/37/782184537.db2.gz AJXROMCOJGLBGT-SWLSCSKDSA-N 2 2 258.369 1.773 20 30 CDEDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000783299223 782184557 /nfs/dbraw/zinc/18/45/57/782184557.db2.gz AJXROMCOJGLBGT-SWLSCSKDSA-N 2 2 258.369 1.773 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C3CCCC2CCC3)CC1 ZINC000748824387 576928118 /nfs/dbraw/zinc/92/81/18/576928118.db2.gz IUWJCHMLKDBCHO-UHFFFAOYSA-N 2 2 289.423 1.171 20 30 CDEDLP COc1ccc(C(N)=[NH+]OCc2cncn2C)cc1 ZINC000753117069 577147013 /nfs/dbraw/zinc/14/70/13/577147013.db2.gz GPAWASNVQQUDJJ-UHFFFAOYSA-N 2 2 260.297 1.266 20 30 CDEDLP COc1ccc(C(N)=[NH+]OCc2c[nH+]cn2C)cc1 ZINC000753117069 577147016 /nfs/dbraw/zinc/14/70/16/577147016.db2.gz GPAWASNVQQUDJJ-UHFFFAOYSA-N 2 2 260.297 1.266 20 30 CDEDLP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948885969 613008465 /nfs/dbraw/zinc/00/84/65/613008465.db2.gz GEHXTFXITJVNCS-AWEZNQCLSA-N 2 2 288.395 1.288 20 30 CDEDLP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948885969 613008467 /nfs/dbraw/zinc/00/84/67/613008467.db2.gz GEHXTFXITJVNCS-AWEZNQCLSA-N 2 2 288.395 1.288 20 30 CDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450493 613266851 /nfs/dbraw/zinc/26/68/51/613266851.db2.gz VLTLJUPNNCHPJS-OCCSQVGLSA-N 2 2 296.374 1.779 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450493 613266853 /nfs/dbraw/zinc/26/68/53/613266853.db2.gz VLTLJUPNNCHPJS-OCCSQVGLSA-N 2 2 296.374 1.779 20 30 CDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716534 613308285 /nfs/dbraw/zinc/30/82/85/613308285.db2.gz BBEKXZSPEAREAC-UHFFFAOYSA-N 2 2 276.384 1.384 20 30 CDEDLP C=C(C)C[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716534 613308286 /nfs/dbraw/zinc/30/82/86/613308286.db2.gz BBEKXZSPEAREAC-UHFFFAOYSA-N 2 2 276.384 1.384 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000957356726 613317788 /nfs/dbraw/zinc/31/77/88/613317788.db2.gz ZBCNLKBAZFECPR-CYBMUJFWSA-N 2 2 253.390 1.047 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981455600 613350655 /nfs/dbraw/zinc/35/06/55/613350655.db2.gz DYKJCIBPOAWFTL-UONOGXRCSA-N 2 2 290.411 1.556 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971678851 613369832 /nfs/dbraw/zinc/36/98/32/613369832.db2.gz PFVKFLANEGFAAL-UONOGXRCSA-N 2 2 299.846 1.612 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971678851 613369833 /nfs/dbraw/zinc/36/98/33/613369833.db2.gz PFVKFLANEGFAAL-UONOGXRCSA-N 2 2 299.846 1.612 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968700699 613515117 /nfs/dbraw/zinc/51/51/17/613515117.db2.gz ARQOKXSANKIRMV-KGLIPLIRSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968700699 613515119 /nfs/dbraw/zinc/51/51/19/613515119.db2.gz ARQOKXSANKIRMV-KGLIPLIRSA-N 2 2 276.384 1.286 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968592115 613732697 /nfs/dbraw/zinc/73/26/97/613732697.db2.gz KWWHFHBOVMTQRC-BXUZGUMPSA-N 2 2 276.384 1.273 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968592115 613732699 /nfs/dbraw/zinc/73/26/99/613732699.db2.gz KWWHFHBOVMTQRC-BXUZGUMPSA-N 2 2 276.384 1.273 20 30 CDEDLP C#CCOCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000851728299 617637614 /nfs/dbraw/zinc/63/76/14/617637614.db2.gz LPPJMBPFDXJSJJ-UHFFFAOYSA-N 2 2 250.386 1.587 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891649 1162502025 /nfs/dbraw/zinc/50/20/25/1162502025.db2.gz QIKBZWWMJPNHAP-YNEHKIRRSA-N 2 2 276.384 1.574 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891649 1162502029 /nfs/dbraw/zinc/50/20/29/1162502029.db2.gz QIKBZWWMJPNHAP-YNEHKIRRSA-N 2 2 276.384 1.574 20 30 CDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cnc3[nH]cc(C#N)c3c2)CC1 ZINC001168740134 1161491240 /nfs/dbraw/zinc/49/12/40/1161491240.db2.gz DYSDGRIIZBWTDH-UHFFFAOYSA-N 2 2 283.339 1.029 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001113155110 1162115564 /nfs/dbraw/zinc/11/55/64/1162115564.db2.gz IDIPNIXGRDAPTC-UHFFFAOYSA-N 2 2 293.455 1.829 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133242207 1163612336 /nfs/dbraw/zinc/61/23/36/1163612336.db2.gz OUIMCGOSICWFIR-ZIAGYGMSSA-N 2 2 290.411 1.223 20 30 CDEDLP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752992680 1184985631 /nfs/dbraw/zinc/98/56/31/1184985631.db2.gz QVFNJWYYVWEKBR-HNNXBMFYSA-N 2 2 290.411 1.841 20 30 CDEDLP 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C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417387 935743463 /nfs/dbraw/zinc/74/34/63/935743463.db2.gz RQQZTPJXSKIMGN-CYBMUJFWSA-N 2 2 284.363 1.943 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417387 935743464 /nfs/dbraw/zinc/74/34/64/935743464.db2.gz RQQZTPJXSKIMGN-CYBMUJFWSA-N 2 2 284.363 1.943 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040070 935767906 /nfs/dbraw/zinc/76/79/06/935767906.db2.gz NPXYDHBYERUNIP-KRWDZBQOSA-N 2 2 299.418 1.576 20 30 CDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040070 935767908 /nfs/dbraw/zinc/76/79/08/935767908.db2.gz NPXYDHBYERUNIP-KRWDZBQOSA-N 2 2 299.418 1.576 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001044840201 935871362 /nfs/dbraw/zinc/87/13/62/935871362.db2.gz ILKCLQPBZLBHSG-WCQYABFASA-N 2 2 276.384 1.416 20 30 CDEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131320 936115366 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30 CDEDLP CC[N@H+]1CCO[C@@H]2C[NH+](CCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208926936 940407706 /nfs/dbraw/zinc/40/77/06/940407706.db2.gz LLSCXWOTPWYTJY-ZWKOTPCHSA-N 2 2 299.418 1.753 20 30 CDEDLP CC[NH+]1CCO[C@@H]2C[N@H+](CCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208926936 940407709 /nfs/dbraw/zinc/40/77/09/940407709.db2.gz LLSCXWOTPWYTJY-ZWKOTPCHSA-N 2 2 299.418 1.753 20 30 CDEDLP CC[NH+]1CCO[C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208926936 940407711 /nfs/dbraw/zinc/40/77/11/940407711.db2.gz LLSCXWOTPWYTJY-ZWKOTPCHSA-N 2 2 299.418 1.753 20 30 CDEDLP CCc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc(CC)c1C#N ZINC001219115075 941310374 /nfs/dbraw/zinc/31/03/74/941310374.db2.gz ZXXFIBXFWRCABF-DOMZBBRYSA-N 2 2 286.379 1.311 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222082704 941561775 /nfs/dbraw/zinc/56/17/75/941561775.db2.gz XEYCCSYPFDYUKW-CQSZACIVSA-N 2 2 276.384 1.430 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839441 942236084 /nfs/dbraw/zinc/23/60/84/942236084.db2.gz BTENPRYNDUEULU-ZIAGYGMSSA-N 2 2 276.384 1.476 20 30 CDEDLP C=CCOc1ccccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053853 944027115 /nfs/dbraw/zinc/02/71/15/944027115.db2.gz LRCBPYQCHHQKIJ-QGZVFWFLSA-N 2 2 287.407 1.389 20 30 CDEDLP C=CCOc1ccccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053853 944027120 /nfs/dbraw/zinc/02/71/20/944027120.db2.gz LRCBPYQCHHQKIJ-QGZVFWFLSA-N 2 2 287.407 1.389 20 30 CDEDLP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235468483 944165611 /nfs/dbraw/zinc/16/56/11/944165611.db2.gz YKFNHMYNEJCQET-DZGCQCFKSA-N 2 2 265.401 1.367 20 30 CDEDLP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@H](C)[NH3+])C2 ZINC001235468483 944165613 /nfs/dbraw/zinc/16/56/13/944165613.db2.gz YKFNHMYNEJCQET-DZGCQCFKSA-N 2 2 265.401 1.367 20 30 CDEDLP C#CCOCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001261638209 946205902 /nfs/dbraw/zinc/20/59/02/946205902.db2.gz UGWZAAKPJUYXGQ-CQSZACIVSA-N 2 2 261.369 1.324 20 30 CDEDLP C#CCOCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001261638209 946205911 /nfs/dbraw/zinc/20/59/11/946205911.db2.gz UGWZAAKPJUYXGQ-CQSZACIVSA-N 2 2 261.369 1.324 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255111560 947738578 /nfs/dbraw/zinc/73/85/78/947738578.db2.gz RMOXWEOHWBKVHN-HOTGVXAUSA-N 2 2 270.380 1.058 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255111560 947738586 /nfs/dbraw/zinc/73/85/86/947738586.db2.gz RMOXWEOHWBKVHN-HOTGVXAUSA-N 2 2 270.380 1.058 20 30 CDEDLP CC[C@H](CC#N)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001255155779 947755211 /nfs/dbraw/zinc/75/52/11/947755211.db2.gz BCWGBFXOORJGKL-VXGBXAGGSA-N 2 2 284.404 1.858 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001252551098 951439059 /nfs/dbraw/zinc/43/90/59/951439059.db2.gz SGKDOIYWKOFWCM-ZACQAIPSSA-N 2 2 287.407 1.382 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001253186401 951786158 /nfs/dbraw/zinc/78/61/58/951786158.db2.gz OJWRKTOHRMDXCQ-MRXNPFEDSA-N 2 2 275.396 1.693 20 30 CDEDLP CC[NH+](CC)C[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001253186401 951786162 /nfs/dbraw/zinc/78/61/62/951786162.db2.gz OJWRKTOHRMDXCQ-MRXNPFEDSA-N 2 2 275.396 1.693 20 30 CDEDLP C=C[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001253606566 951990594 /nfs/dbraw/zinc/99/05/94/951990594.db2.gz KCSLIZUULIEBOD-QGZVFWFLSA-N 2 2 285.391 1.659 20 30 CDEDLP C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)[C@@H]1CCC[NH2+]1 ZINC001327840412 955070750 /nfs/dbraw/zinc/07/07/50/955070750.db2.gz PBECOCNEIBBYAJ-DOMZBBRYSA-N 2 2 259.353 1.819 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001438718345 963532472 /nfs/dbraw/zinc/53/24/72/963532472.db2.gz YQUBDLZUGZJLDB-JTQLQIEISA-N 2 2 284.791 1.450 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001401424754 975656334 /nfs/dbraw/zinc/65/63/34/975656334.db2.gz PJQDAANFJBDWDM-ZDUSSCGKSA-N 2 2 289.851 1.715 20 30 CDEDLP C=CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222495 1163202774 /nfs/dbraw/zinc/20/27/74/1163202774.db2.gz YOURIOBTPCTRGB-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222495 1163202780 /nfs/dbraw/zinc/20/27/80/1163202780.db2.gz YOURIOBTPCTRGB-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132542583 1163353772 /nfs/dbraw/zinc/35/37/72/1163353772.db2.gz REOABEJLWZDARJ-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C=CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132542583 1163353777 /nfs/dbraw/zinc/35/37/77/1163353777.db2.gz REOABEJLWZDARJ-HUUCEWRRSA-N 2 2 290.411 1.818 20 30 CDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133355033 1163652545 /nfs/dbraw/zinc/65/25/45/1163652545.db2.gz UZRLQSHGLNZGPA-LSDHHAIUSA-N 2 2 290.411 1.533 20 30 CDEDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C#N)cc1F ZINC000591582470 342638220 /nfs/dbraw/zinc/63/82/20/342638220.db2.gz LYVIFLZRPIZNOP-DGCLKSJQSA-N 2 2 277.343 1.726 20 30 CDEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000591770919 342646130 /nfs/dbraw/zinc/64/61/30/342646130.db2.gz KCAFGEQVFDXUIH-MRXNPFEDSA-N 2 2 287.407 1.763 20 30 CDEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000591770919 342646131 /nfs/dbraw/zinc/64/61/31/342646131.db2.gz KCAFGEQVFDXUIH-MRXNPFEDSA-N 2 2 287.407 1.763 20 30 CDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598715320 343881053 /nfs/dbraw/zinc/88/10/53/343881053.db2.gz OGPPYNDSJUEQNA-RYUDHWBXSA-N 2 2 250.346 1.162 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCCNc1cccc[nH+]1 ZINC000598722104 343884315 /nfs/dbraw/zinc/88/43/15/343884315.db2.gz ZCMQBZONWCVVME-ZDUSSCGKSA-N 2 2 276.384 1.774 20 30 CDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCC(C)C ZINC000073319493 349159745 /nfs/dbraw/zinc/15/97/45/349159745.db2.gz OYSXDYQACHTNOX-UHFFFAOYSA-N 2 2 294.468 1.927 20 30 CDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCC(C)C ZINC000073319493 349159750 /nfs/dbraw/zinc/15/97/50/349159750.db2.gz OYSXDYQACHTNOX-UHFFFAOYSA-N 2 2 294.468 1.927 20 30 CDEDLP COCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000264075571 362959567 /nfs/dbraw/zinc/95/95/67/362959567.db2.gz FOJAQERKPFAPJK-LLVKDONJSA-N 2 2 296.440 1.045 20 30 CDEDLP COCCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000264075571 362959573 /nfs/dbraw/zinc/95/95/73/362959573.db2.gz FOJAQERKPFAPJK-LLVKDONJSA-N 2 2 296.440 1.045 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264110476 362969806 /nfs/dbraw/zinc/96/98/06/362969806.db2.gz OTTRPYMTNZKENV-RISCZKNCSA-N 2 2 296.390 1.368 20 30 CDEDLP Cc1ccnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364642644 363080181 /nfs/dbraw/zinc/08/01/81/363080181.db2.gz FEELBAKOFQECDX-CQSZACIVSA-N 2 2 299.422 1.842 20 30 CDEDLP Cc1ccnc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364642644 363080187 /nfs/dbraw/zinc/08/01/87/363080187.db2.gz FEELBAKOFQECDX-CQSZACIVSA-N 2 2 299.422 1.842 20 30 CDEDLP COC[C@@]1(C[NH2+]Cc2ccc(C#N)c(OC)c2)CCC[NH2+]1 ZINC000414961524 356749157 /nfs/dbraw/zinc/74/91/57/356749157.db2.gz VLBGGYYWFZRISQ-INIZCTEOSA-N 2 2 289.379 1.425 20 30 CDEDLP C#CCn1ccc(C[N@@H+](CC)CCCn2cc[nH+]c2C)n1 ZINC000279715529 359593651 /nfs/dbraw/zinc/59/36/51/359593651.db2.gz KXBQFDWIDGBEMO-UHFFFAOYSA-N 2 2 285.395 1.933 20 30 CDEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000581980124 364056244 /nfs/dbraw/zinc/05/62/44/364056244.db2.gz MOMWZLUGUMKPSV-AWEZNQCLSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000581980124 364056252 /nfs/dbraw/zinc/05/62/52/364056252.db2.gz MOMWZLUGUMKPSV-AWEZNQCLSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000581980124 364056257 /nfs/dbraw/zinc/05/62/57/364056257.db2.gz MOMWZLUGUMKPSV-AWEZNQCLSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000581980124 364056262 /nfs/dbraw/zinc/05/62/62/364056262.db2.gz MOMWZLUGUMKPSV-AWEZNQCLSA-N 2 2 258.369 1.727 20 30 CDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCCNC(=O)C1)C(C)C ZINC000638358078 369514515 /nfs/dbraw/zinc/51/45/15/369514515.db2.gz YVVBROABQAWGAA-HOTGVXAUSA-N 2 2 293.455 1.943 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000568190171 371208519 /nfs/dbraw/zinc/20/85/19/371208519.db2.gz BLZMEKANNPBBRN-CYBMUJFWSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000568190171 371208524 /nfs/dbraw/zinc/20/85/24/371208524.db2.gz BLZMEKANNPBBRN-CYBMUJFWSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568741363 371229987 /nfs/dbraw/zinc/22/99/87/371229987.db2.gz RTDJAKFXWZYWMU-CAOSSQGBSA-N 2 2 284.444 1.791 20 30 CDEDLP C=CCCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568741363 371229989 /nfs/dbraw/zinc/22/99/89/371229989.db2.gz RTDJAKFXWZYWMU-CAOSSQGBSA-N 2 2 284.444 1.791 20 30 CDEDLP C#CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000170715743 372106252 /nfs/dbraw/zinc/10/62/52/372106252.db2.gz QKEAGJLCZFJFIX-UHFFFAOYSA-N 2 2 299.418 1.204 20 30 CDEDLP C#CC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000170715743 372106262 /nfs/dbraw/zinc/10/62/62/372106262.db2.gz QKEAGJLCZFJFIX-UHFFFAOYSA-N 2 2 299.418 1.204 20 30 CDEDLP N#Cc1cccc([C@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000378337080 374638963 /nfs/dbraw/zinc/63/89/63/374638963.db2.gz JAKWQQRPFGKVJB-MRXNPFEDSA-N 2 2 282.347 1.828 20 30 CDEDLP N#Cc1cccc([C@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000378337080 374638973 /nfs/dbraw/zinc/63/89/73/374638973.db2.gz JAKWQQRPFGKVJB-MRXNPFEDSA-N 2 2 282.347 1.828 20 30 CDEDLP C[N@H+](Cc1cccc(C#N)c1)C1CC[NH+](CCO)CC1 ZINC000353359584 375306521 /nfs/dbraw/zinc/30/65/21/375306521.db2.gz BCWZRHGTBDRXFM-UHFFFAOYSA-N 2 2 273.380 1.447 20 30 CDEDLP C[N@@H+](Cc1cccc(C#N)c1)C1CC[NH+](CCO)CC1 ZINC000353359584 375306523 /nfs/dbraw/zinc/30/65/23/375306523.db2.gz BCWZRHGTBDRXFM-UHFFFAOYSA-N 2 2 273.380 1.447 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000289607528 378328514 /nfs/dbraw/zinc/32/85/14/378328514.db2.gz CXHMIBIFBWYUOU-BMFZPTHFSA-N 2 2 260.381 1.643 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000289607528 378328518 /nfs/dbraw/zinc/32/85/18/378328518.db2.gz CXHMIBIFBWYUOU-BMFZPTHFSA-N 2 2 260.381 1.643 20 30 CDEDLP C=CCc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1O ZINC000359457980 391596750 /nfs/dbraw/zinc/59/67/50/391596750.db2.gz JTBMUKVMXWIKPE-HUUCEWRRSA-N 2 2 288.391 1.781 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000191389808 130230190 /nfs/dbraw/zinc/23/01/90/130230190.db2.gz QICGCSGFOLBHDJ-CQSZACIVSA-N 2 2 272.396 1.814 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000191389808 130230192 /nfs/dbraw/zinc/23/01/92/130230192.db2.gz QICGCSGFOLBHDJ-CQSZACIVSA-N 2 2 272.396 1.814 20 30 CDEDLP C=CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000263815626 131337503 /nfs/dbraw/zinc/33/75/03/131337503.db2.gz VUZGEAFBUNHBMR-UHFFFAOYSA-N 2 2 287.407 1.449 20 30 CDEDLP C=CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000263815626 131337504 /nfs/dbraw/zinc/33/75/04/131337504.db2.gz VUZGEAFBUNHBMR-UHFFFAOYSA-N 2 2 287.407 1.449 20 30 CDEDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421347528 392930850 /nfs/dbraw/zinc/93/08/50/392930850.db2.gz VHHWOXHEGMWRAV-UHFFFAOYSA-N 2 2 265.332 1.101 20 30 CDEDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421347528 392930855 /nfs/dbraw/zinc/93/08/55/392930855.db2.gz VHHWOXHEGMWRAV-UHFFFAOYSA-N 2 2 265.332 1.101 20 30 CDEDLP C=CCCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515467570 393135366 /nfs/dbraw/zinc/13/53/66/393135366.db2.gz DDGNVPUULFUOCG-MJBXVCDLSA-N 2 2 256.390 1.012 20 30 CDEDLP C=CCCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515467570 393135370 /nfs/dbraw/zinc/13/53/70/393135370.db2.gz DDGNVPUULFUOCG-MJBXVCDLSA-N 2 2 256.390 1.012 20 30 CDEDLP C=CCCn1cc(C[NH2+]CCCNc2cccc[nH+]2)nn1 ZINC000657390829 414277667 /nfs/dbraw/zinc/27/76/67/414277667.db2.gz JHLFPARVUAHMOV-UHFFFAOYSA-N 2 2 286.383 1.841 20 30 CDEDLP CC#CCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000274082186 263021424 /nfs/dbraw/zinc/02/14/24/263021424.db2.gz NPGLRLXOKRKZDW-UHFFFAOYSA-N 2 2 259.353 1.799 20 30 CDEDLP C=CCc1cc(C[N@H+](C)CC[NH3+])cc(OC)c1O ZINC000415107751 263273510 /nfs/dbraw/zinc/27/35/10/263273510.db2.gz LOIMMOPSJWLJGO-UHFFFAOYSA-N 2 2 250.342 1.520 20 30 CDEDLP C=CCc1cc(C[N@@H+](C)CC[NH3+])cc(OC)c1O ZINC000415107751 263273512 /nfs/dbraw/zinc/27/35/12/263273512.db2.gz LOIMMOPSJWLJGO-UHFFFAOYSA-N 2 2 250.342 1.520 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860373 264333686 /nfs/dbraw/zinc/33/36/86/264333686.db2.gz MXEOYWJUVBRBNI-INIZCTEOSA-N 2 2 293.455 1.993 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860373 264333689 /nfs/dbraw/zinc/33/36/89/264333689.db2.gz MXEOYWJUVBRBNI-INIZCTEOSA-N 2 2 293.455 1.993 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860373 264333692 /nfs/dbraw/zinc/33/36/92/264333692.db2.gz MXEOYWJUVBRBNI-INIZCTEOSA-N 2 2 293.455 1.993 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860373 264333693 /nfs/dbraw/zinc/33/36/93/264333693.db2.gz MXEOYWJUVBRBNI-INIZCTEOSA-N 2 2 293.455 1.993 20 30 CDEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000077249391 264352975 /nfs/dbraw/zinc/35/29/75/264352975.db2.gz NOHREMPHFJKAMZ-INIZCTEOSA-N 2 2 292.427 1.211 20 30 CDEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000077249391 264352978 /nfs/dbraw/zinc/35/29/78/264352978.db2.gz NOHREMPHFJKAMZ-INIZCTEOSA-N 2 2 292.427 1.211 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)s1 ZINC000519649311 268220706 /nfs/dbraw/zinc/22/07/06/268220706.db2.gz UAIDSLWOGAQUND-UHFFFAOYSA-N 2 2 273.365 1.665 20 30 CDEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCS[C@@H](CC)C1 ZINC000261745860 329981347 /nfs/dbraw/zinc/98/13/47/329981347.db2.gz BUNRKWQRHDJPCF-ZDUSSCGKSA-N 2 2 284.473 1.485 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423094149 330169354 /nfs/dbraw/zinc/16/93/54/330169354.db2.gz JPASAFIVAXHUDX-KBXIAJHMSA-N 2 2 268.401 1.324 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@@H](C)CC[C@@H]2CC)CC1 ZINC000490923656 332129720 /nfs/dbraw/zinc/12/97/20/332129720.db2.gz LMUUNQGNBLTNOU-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@@H](C)CC[C@@H]2CC)CC1 ZINC000490923656 332129721 /nfs/dbraw/zinc/12/97/21/332129721.db2.gz LMUUNQGNBLTNOU-GJZGRUSLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491678756 332283186 /nfs/dbraw/zinc/28/31/86/332283186.db2.gz CGWZRBIQUOAODE-UHFFFAOYSA-N 2 2 272.392 1.974 20 30 CDEDLP C#CC[N@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491678756 332283187 /nfs/dbraw/zinc/28/31/87/332283187.db2.gz CGWZRBIQUOAODE-UHFFFAOYSA-N 2 2 272.392 1.974 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000555224147 334471524 /nfs/dbraw/zinc/47/15/24/334471524.db2.gz JZIWPUSZECIIPP-UHFFFAOYSA-N 2 2 262.357 1.040 20 30 CDEDLP C=C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674934003 482438598 /nfs/dbraw/zinc/43/85/98/482438598.db2.gz OMKZPKSLPCAOIM-QWHCGFSZSA-N 2 2 280.416 1.029 20 30 CDEDLP C=C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674934003 482438599 /nfs/dbraw/zinc/43/85/99/482438599.db2.gz OMKZPKSLPCAOIM-QWHCGFSZSA-N 2 2 280.416 1.029 20 30 CDEDLP C=C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674934004 482438607 /nfs/dbraw/zinc/43/86/07/482438607.db2.gz OMKZPKSLPCAOIM-STQMWFEESA-N 2 2 280.416 1.029 20 30 CDEDLP C=C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674934004 482438609 /nfs/dbraw/zinc/43/86/09/482438609.db2.gz OMKZPKSLPCAOIM-STQMWFEESA-N 2 2 280.416 1.029 20 30 CDEDLP CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000329254001 529046009 /nfs/dbraw/zinc/04/60/09/529046009.db2.gz WPGXFGCNZJCJDL-GFCCVEGCSA-N 2 2 250.346 1.783 20 30 CDEDLP CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000329254001 529046011 /nfs/dbraw/zinc/04/60/11/529046011.db2.gz WPGXFGCNZJCJDL-GFCCVEGCSA-N 2 2 250.346 1.783 20 30 CDEDLP CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000329254001 529046014 /nfs/dbraw/zinc/04/60/14/529046014.db2.gz WPGXFGCNZJCJDL-GFCCVEGCSA-N 2 2 250.346 1.783 20 30 CDEDLP CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000329254001 529046015 /nfs/dbraw/zinc/04/60/15/529046015.db2.gz WPGXFGCNZJCJDL-GFCCVEGCSA-N 2 2 250.346 1.783 20 30 CDEDLP C1C[C@@H]2C(N=NC3=[NH+][C@H]4CCCC[C@@H]4N3)CC[N@@H+]2C1 ZINC000765585390 576040844 /nfs/dbraw/zinc/04/08/44/576040844.db2.gz ZNHPFERFFCYIKD-GMXVVIOVSA-N 2 2 261.373 1.071 20 30 CDEDLP C1C[C@@H]2C(N=NC3=[NH+][C@H]4CCCC[C@@H]4N3)CC[N@H+]2C1 ZINC000765585390 576040846 /nfs/dbraw/zinc/04/08/46/576040846.db2.gz ZNHPFERFFCYIKD-GMXVVIOVSA-N 2 2 261.373 1.071 20 30 CDEDLP CN1CCc2cc(C=[NH+]NC3=[NH+][C@H]4CCCC[C@@H]4N3)ccc21 ZINC000753930050 576866491 /nfs/dbraw/zinc/86/64/91/576866491.db2.gz TYTYSPSTVOXXBA-GJZGRUSLSA-N 2 2 297.406 1.873 20 30 CDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NC3CCCC3)cn2)CC1 ZINC000755689147 576955475 /nfs/dbraw/zinc/95/54/75/576955475.db2.gz LNTOKHWRCKNOGG-UHFFFAOYSA-N 2 2 288.399 1.095 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982049382 613151945 /nfs/dbraw/zinc/15/19/45/613151945.db2.gz VDILQRUJIWVMAL-CQSZACIVSA-N 2 2 274.368 1.002 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982049382 613151948 /nfs/dbraw/zinc/15/19/48/613151948.db2.gz VDILQRUJIWVMAL-CQSZACIVSA-N 2 2 274.368 1.002 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000982081527 613155229 /nfs/dbraw/zinc/15/52/29/613155229.db2.gz UBWNFABPSABFFQ-MRXNPFEDSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000982081527 613155232 /nfs/dbraw/zinc/15/52/32/613155232.db2.gz 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937057184 /nfs/dbraw/zinc/05/71/84/937057184.db2.gz MWABZFKBFCRGIC-QLFBSQMISA-N 2 2 290.411 1.704 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086404649 927086331 /nfs/dbraw/zinc/08/63/31/927086331.db2.gz JQWFBNPNEIIPHV-IHRRRGAJSA-N 2 2 288.395 1.116 20 30 CDEDLP C#CCC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001202693705 930481236 /nfs/dbraw/zinc/48/12/36/930481236.db2.gz CMBXONYWSAOQDP-AWEZNQCLSA-N 2 2 288.395 1.438 20 30 CDEDLP C=C(C)C[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458461 932253608 /nfs/dbraw/zinc/25/36/08/932253608.db2.gz HSQSJYPPZLSIPC-UHFFFAOYSA-N 2 2 284.363 1.768 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146754345 932305843 /nfs/dbraw/zinc/30/58/43/932305843.db2.gz DUUBWEDXHXKBJJ-OLZOCXBDSA-N 2 2 264.373 1.332 20 30 CDEDLP N#CCc1cc(-n2cc3ccc(C[NH3+])cc3n2)cc[nH+]1 ZINC001171324368 932677486 /nfs/dbraw/zinc/67/74/86/932677486.db2.gz ZONTWWLIODIUHS-UHFFFAOYSA-N 2 2 263.304 1.945 20 30 CDEDLP N#Cc1cnc(Cl)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155052770 937627525 /nfs/dbraw/zinc/62/75/25/937627525.db2.gz GBESSWAXAXIAJU-UHFFFAOYSA-N 2 2 288.742 1.654 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038365897 935742297 /nfs/dbraw/zinc/74/22/97/935742297.db2.gz FVEWBOQANMVRQA-JHJVBQTASA-N 2 2 274.368 1.280 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038365897 935742298 /nfs/dbraw/zinc/74/22/98/935742298.db2.gz FVEWBOQANMVRQA-JHJVBQTASA-N 2 2 274.368 1.280 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049625959 936164727 /nfs/dbraw/zinc/16/47/27/936164727.db2.gz NZKIHZNGALTOHD-LSDHHAIUSA-N 2 2 288.395 1.525 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049625959 936164728 /nfs/dbraw/zinc/16/47/28/936164728.db2.gz NZKIHZNGALTOHD-LSDHHAIUSA-N 2 2 288.395 1.525 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC001160431777 938787011 /nfs/dbraw/zinc/78/70/11/938787011.db2.gz FJOKFLMACULVDP-STQMWFEESA-N 2 2 253.390 1.080 20 30 CDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161310662 938886606 /nfs/dbraw/zinc/88/66/06/938886606.db2.gz XOYYDGMXNGVBMV-GFCCVEGCSA-N 2 2 296.802 1.294 20 30 CDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161335649 938891590 /nfs/dbraw/zinc/89/15/90/938891590.db2.gz CPPJXLSQDMCVDP-UHFFFAOYSA-N 2 2 286.379 1.114 20 30 CDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161335649 938891591 /nfs/dbraw/zinc/89/15/91/938891591.db2.gz CPPJXLSQDMCVDP-UHFFFAOYSA-N 2 2 286.379 1.114 20 30 CDEDLP Cc1ccc(CC#N)c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)[nH+]1 ZINC001165148180 939518747 /nfs/dbraw/zinc/51/87/47/939518747.db2.gz ICRIBSAHUKBANY-ZIAGYGMSSA-N 2 2 256.353 1.454 20 30 CDEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205673916 939915378 /nfs/dbraw/zinc/91/53/78/939915378.db2.gz VRWIEERKLJHGAE-HNNXBMFYSA-N 2 2 259.353 1.234 20 30 CDEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205673916 939915380 /nfs/dbraw/zinc/91/53/80/939915380.db2.gz VRWIEERKLJHGAE-HNNXBMFYSA-N 2 2 259.353 1.234 20 30 CDEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205967208 939961933 /nfs/dbraw/zinc/96/19/33/939961933.db2.gz KYKBQCLASINQIG-HUUCEWRRSA-N 2 2 262.353 1.145 20 30 CDEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205967208 939961935 /nfs/dbraw/zinc/96/19/35/939961935.db2.gz KYKBQCLASINQIG-HUUCEWRRSA-N 2 2 262.353 1.145 20 30 CDEDLP Cc1[nH]c(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c(C#N)c1C ZINC001218556839 941235468 /nfs/dbraw/zinc/23/54/68/941235468.db2.gz ZTLGKYHACRSKKT-AWEZNQCLSA-N 2 2 297.362 1.714 20 30 CDEDLP N#CCc1cccc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c1 ZINC001218987064 941297486 /nfs/dbraw/zinc/29/74/86/941297486.db2.gz BPQIFEDATNWPMF-INIZCTEOSA-N 2 2 294.358 1.963 20 30 CDEDLP CCc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc(CC)c1C#N ZINC001219114622 941309575 /nfs/dbraw/zinc/30/95/75/941309575.db2.gz LLHSSENLNILMNG-AWEZNQCLSA-N 2 2 274.368 1.298 20 30 CDEDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3OC)C[C@@H]2C1 ZINC001231622205 942948180 /nfs/dbraw/zinc/94/81/80/942948180.db2.gz RHTWHIBUESBLDY-IYBDPMFKSA-N 2 2 285.391 1.950 20 30 CDEDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3OC)C[C@@H]2C1 ZINC001231622205 942948182 /nfs/dbraw/zinc/94/81/82/942948182.db2.gz RHTWHIBUESBLDY-IYBDPMFKSA-N 2 2 285.391 1.950 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3OC)C[C@@H]2C1 ZINC001231622205 942948185 /nfs/dbraw/zinc/94/81/85/942948185.db2.gz RHTWHIBUESBLDY-IYBDPMFKSA-N 2 2 285.391 1.950 20 30 CDEDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3OC)C[C@@H]2C1 ZINC001231622205 942948187 /nfs/dbraw/zinc/94/81/87/942948187.db2.gz RHTWHIBUESBLDY-IYBDPMFKSA-N 2 2 285.391 1.950 20 30 CDEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232679090 943361629 /nfs/dbraw/zinc/36/16/29/943361629.db2.gz ZWZROXAAGAVMRK-OKILXGFUSA-N 2 2 257.337 1.257 20 30 CDEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232679090 943361637 /nfs/dbraw/zinc/36/16/37/943361637.db2.gz ZWZROXAAGAVMRK-OKILXGFUSA-N 2 2 257.337 1.257 20 30 CDEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232679090 943361640 /nfs/dbraw/zinc/36/16/40/943361640.db2.gz ZWZROXAAGAVMRK-OKILXGFUSA-N 2 2 257.337 1.257 20 30 CDEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232679090 943361648 /nfs/dbraw/zinc/36/16/48/943361648.db2.gz ZWZROXAAGAVMRK-OKILXGFUSA-N 2 2 257.337 1.257 20 30 CDEDLP CC#CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702544137 944647898 /nfs/dbraw/zinc/64/78/98/944647898.db2.gz IFNBCJGAHCMNHN-INIZCTEOSA-N 2 2 258.365 1.236 20 30 CDEDLP CC#CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702544137 944647900 /nfs/dbraw/zinc/64/79/00/944647900.db2.gz IFNBCJGAHCMNHN-INIZCTEOSA-N 2 2 258.365 1.236 20 30 CDEDLP N#C[C@H]1C[NH2+]CCN1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603260 948361420 /nfs/dbraw/zinc/36/14/20/948361420.db2.gz AOPOSTAGOQYJPZ-KRWDZBQOSA-N 2 2 284.407 1.448 20 30 CDEDLP C=CCOC[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001252483750 951345983 /nfs/dbraw/zinc/34/59/83/951345983.db2.gz XDFDVJPPKVRDCM-IRXDYDNUSA-N 2 2 292.423 1.833 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001253391896 951875062 /nfs/dbraw/zinc/87/50/62/951875062.db2.gz BOADOMAECIUQNY-CHWSQXEVSA-N 2 2 253.390 1.361 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC001253391896 951875067 /nfs/dbraw/zinc/87/50/67/951875067.db2.gz BOADOMAECIUQNY-CHWSQXEVSA-N 2 2 253.390 1.361 20 30 CDEDLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001491623358 955322981 /nfs/dbraw/zinc/32/29/81/955322981.db2.gz GLPXXKZLVVGCGG-GFCCVEGCSA-N 2 2 297.362 1.118 20 30 CDEDLP C=C[C@H](COC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001324022240 961115234 /nfs/dbraw/zinc/11/52/34/961115234.db2.gz PIOGYWFTIJBRNF-CYBMUJFWSA-N 2 2 261.369 1.841 20 30 CDEDLP C=C(CC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001348738443 966156960 /nfs/dbraw/zinc/15/69/60/966156960.db2.gz QXKIIKCJLYZDOJ-UHFFFAOYSA-N 2 2 293.455 1.971 20 30 CDEDLP C=C(CC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001348738443 966156965 /nfs/dbraw/zinc/15/69/65/966156965.db2.gz QXKIIKCJLYZDOJ-UHFFFAOYSA-N 2 2 293.455 1.971 20 30 CDEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001353330052 967904052 /nfs/dbraw/zinc/90/40/52/967904052.db2.gz REZRTJFJRVFOMV-STQMWFEESA-N 2 2 267.417 1.750 20 30 CDEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001353330052 967904059 /nfs/dbraw/zinc/90/40/59/967904059.db2.gz REZRTJFJRVFOMV-STQMWFEESA-N 2 2 267.417 1.750 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376952346 974829134 /nfs/dbraw/zinc/82/91/34/974829134.db2.gz DKMSZQJZKVXITF-NSHDSACASA-N 2 2 282.775 1.143 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082644 342616597 /nfs/dbraw/zinc/61/65/97/342616597.db2.gz SWSNICYUAWATRR-STQMWFEESA-N 2 2 262.357 1.211 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082644 342616598 /nfs/dbraw/zinc/61/65/98/342616598.db2.gz SWSNICYUAWATRR-STQMWFEESA-N 2 2 262.357 1.211 20 30 CDEDLP C[NH+](C)Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000591773619 342646194 /nfs/dbraw/zinc/64/61/94/342646194.db2.gz QGFXBSJSBSPGFH-MRXNPFEDSA-N 2 2 290.411 1.366 20 30 CDEDLP C[NH+](C)Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000591773619 342646195 /nfs/dbraw/zinc/64/61/95/342646195.db2.gz QGFXBSJSBSPGFH-MRXNPFEDSA-N 2 2 290.411 1.366 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000089926669 342230751 /nfs/dbraw/zinc/23/07/51/342230751.db2.gz MIYFMKCZWCPOCU-UHFFFAOYSA-N 2 2 299.353 1.753 20 30 CDEDLP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1C[C@H]1C ZINC000083899940 342377960 /nfs/dbraw/zinc/37/79/60/342377960.db2.gz MOANXNLCGZTJDT-OCCSQVGLSA-N 2 2 285.395 1.840 20 30 CDEDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C#N)c1 ZINC000596653409 343371655 /nfs/dbraw/zinc/37/16/55/343371655.db2.gz KIRPLDXLUCIALL-JTQLQIEISA-N 2 2 283.335 1.363 20 30 CDEDLP [O-]C(NCC[NH+]1CCCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330210660 362180161 /nfs/dbraw/zinc/18/01/61/362180161.db2.gz INXRQLCZUMMBAS-ZDUSSCGKSA-N 2 2 291.399 1.187 20 30 CDEDLP C=C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000619703485 349859794 /nfs/dbraw/zinc/85/97/94/349859794.db2.gz LZJXEGPUNMSHNL-OAHLLOKOSA-N 2 2 289.379 1.615 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000598614044 343842687 /nfs/dbraw/zinc/84/26/87/343842687.db2.gz NCBJOXHFKBWLPT-UKRRQHHQSA-N 2 2 289.379 1.835 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000598614044 343842691 /nfs/dbraw/zinc/84/26/91/343842691.db2.gz NCBJOXHFKBWLPT-UKRRQHHQSA-N 2 2 289.379 1.835 20 30 CDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NC1CCCC1 ZINC000263236819 362372249 /nfs/dbraw/zinc/37/22/49/362372249.db2.gz JVYFZPGXXXFBGT-UHFFFAOYSA-N 2 2 275.400 1.827 20 30 CDEDLP CC[C@@H](C#N)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601805451 344264943 /nfs/dbraw/zinc/26/49/43/344264943.db2.gz OBMSMGWQNYSBAA-LBPRGKRZSA-N 2 2 287.367 1.322 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000602563926 344482023 /nfs/dbraw/zinc/48/20/23/344482023.db2.gz IDHXGVAVIINVFX-STQMWFEESA-N 2 2 255.431 1.953 20 30 CDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC#N)C1 ZINC000397573973 345225738 /nfs/dbraw/zinc/22/57/38/345225738.db2.gz FRLCGZHULAJVQY-ZIAGYGMSSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC#N)C1 ZINC000397573973 345225739 /nfs/dbraw/zinc/22/57/39/345225739.db2.gz FRLCGZHULAJVQY-ZIAGYGMSSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397573973 345225740 /nfs/dbraw/zinc/22/57/40/345225740.db2.gz FRLCGZHULAJVQY-ZIAGYGMSSA-N 2 2 253.390 1.313 20 30 CDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397573973 345225741 /nfs/dbraw/zinc/22/57/41/345225741.db2.gz FRLCGZHULAJVQY-ZIAGYGMSSA-N 2 2 253.390 1.313 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1=O ZINC000584771432 346427864 /nfs/dbraw/zinc/42/78/64/346427864.db2.gz IQZBXRBDKNAGMY-ILXRZTDVSA-N 2 2 277.412 1.380 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1=O ZINC000584771432 346427865 /nfs/dbraw/zinc/42/78/65/346427865.db2.gz IQZBXRBDKNAGMY-ILXRZTDVSA-N 2 2 277.412 1.380 20 30 CDEDLP C[N@@H+](Cc1cccc(C#N)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000602446074 350110685 /nfs/dbraw/zinc/11/06/85/350110685.db2.gz ZHJKRLDJSQOVNP-CYBMUJFWSA-N 2 2 258.369 1.727 20 30 CDEDLP C[N@H+](Cc1cccc(C#N)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000602446074 350110687 /nfs/dbraw/zinc/11/06/87/350110687.db2.gz ZHJKRLDJSQOVNP-CYBMUJFWSA-N 2 2 258.369 1.727 20 30 CDEDLP C[NH+](Cc1cccc(C#N)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000602446074 350110690 /nfs/dbraw/zinc/11/06/90/350110690.db2.gz ZHJKRLDJSQOVNP-CYBMUJFWSA-N 2 2 258.369 1.727 20 30 CDEDLP C[NH+](Cc1cccc(C#N)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000602446074 350110695 /nfs/dbraw/zinc/11/06/95/350110695.db2.gz ZHJKRLDJSQOVNP-CYBMUJFWSA-N 2 2 258.369 1.727 20 30 CDEDLP C=CCC[C@@H](CC)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085184 351410611 /nfs/dbraw/zinc/41/06/11/351410611.db2.gz DGSODCQQJMPGAZ-KGLIPLIRSA-N 2 2 267.417 1.661 20 30 CDEDLP C=CCC[C@@H](CC)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085184 351410613 /nfs/dbraw/zinc/41/06/13/351410613.db2.gz DGSODCQQJMPGAZ-KGLIPLIRSA-N 2 2 267.417 1.661 20 30 CDEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000429682898 360867785 /nfs/dbraw/zinc/86/77/85/360867785.db2.gz HNZXYHZEBKKBSO-ILXRZTDVSA-N 2 2 263.385 1.333 20 30 CDEDLP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000429682898 360867787 /nfs/dbraw/zinc/86/77/87/360867787.db2.gz HNZXYHZEBKKBSO-ILXRZTDVSA-N 2 2 263.385 1.333 20 30 CDEDLP CC[C@H]1CCCC[N@@H+]1CCNC[C@@H](O)C[NH+](C)CCC#N ZINC000583626019 361567472 /nfs/dbraw/zinc/56/74/72/361567472.db2.gz BHCPZHJXTNNDAO-JKSUJKDBSA-N 2 2 296.459 1.047 20 30 CDEDLP CC[C@H]1CCCC[N@H+]1CCNC[C@@H](O)C[NH+](C)CCC#N ZINC000583626019 361567479 /nfs/dbraw/zinc/56/74/79/361567479.db2.gz BHCPZHJXTNNDAO-JKSUJKDBSA-N 2 2 296.459 1.047 20 30 CDEDLP CC[C@H]1CCCC[NH+]1CCNC[C@@H](O)C[N@H+](C)CCC#N ZINC000583626019 361567487 /nfs/dbraw/zinc/56/74/87/361567487.db2.gz BHCPZHJXTNNDAO-JKSUJKDBSA-N 2 2 296.459 1.047 20 30 CDEDLP CC[C@H]1CCCC[NH+]1CCNC[C@@H](O)C[N@@H+](C)CCC#N ZINC000583626019 361567492 /nfs/dbraw/zinc/56/74/92/361567492.db2.gz BHCPZHJXTNNDAO-JKSUJKDBSA-N 2 2 296.459 1.047 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)N(CC)CC)CC1 ZINC000177912048 372127003 /nfs/dbraw/zinc/12/70/03/372127003.db2.gz XJZKJWQYPKUVJG-CQSZACIVSA-N 2 2 281.444 1.873 20 30 CDEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000358248917 373949712 /nfs/dbraw/zinc/94/97/12/373949712.db2.gz JNNPNRXODSNIHL-NHYWBVRUSA-N 2 2 277.343 1.415 20 30 CDEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000358248917 373949718 /nfs/dbraw/zinc/94/97/18/373949718.db2.gz JNNPNRXODSNIHL-NHYWBVRUSA-N 2 2 277.343 1.415 20 30 CDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](C#N)CCC#N)CC[C@H]21 ZINC000247979524 377189704 /nfs/dbraw/zinc/18/97/04/377189704.db2.gz MAEHCNJNNSPZNI-RRFJBIMHSA-N 2 2 260.385 1.846 20 30 CDEDLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](C#N)CCC#N)CC[C@H]21 ZINC000247979524 377189708 /nfs/dbraw/zinc/18/97/08/377189708.db2.gz MAEHCNJNNSPZNI-RRFJBIMHSA-N 2 2 260.385 1.846 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](C#N)CCC#N)CC[C@H]21 ZINC000247979524 377189715 /nfs/dbraw/zinc/18/97/15/377189715.db2.gz MAEHCNJNNSPZNI-RRFJBIMHSA-N 2 2 260.385 1.846 20 30 CDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](C#N)CCC#N)CC[C@H]21 ZINC000247979524 377189718 /nfs/dbraw/zinc/18/97/18/377189718.db2.gz MAEHCNJNNSPZNI-RRFJBIMHSA-N 2 2 260.385 1.846 20 30 CDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442659623 378067449 /nfs/dbraw/zinc/06/74/49/378067449.db2.gz YKHMMDANXCMZPS-SOUVJXGZSA-N 2 2 265.401 1.625 20 30 CDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442659623 378067451 /nfs/dbraw/zinc/06/74/51/378067451.db2.gz YKHMMDANXCMZPS-SOUVJXGZSA-N 2 2 265.401 1.625 20 30 CDEDLP COCCNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000058159589 390498053 /nfs/dbraw/zinc/49/80/53/390498053.db2.gz ULLNOIJJMAECCZ-CYBMUJFWSA-N 2 2 294.399 1.357 20 30 CDEDLP C=CCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000117882788 390957325 /nfs/dbraw/zinc/95/73/25/390957325.db2.gz SICKYGZYBSYJHB-HNNXBMFYSA-N 2 2 252.402 1.997 20 30 CDEDLP C=CCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000117882788 390957326 /nfs/dbraw/zinc/95/73/26/390957326.db2.gz SICKYGZYBSYJHB-HNNXBMFYSA-N 2 2 252.402 1.997 20 30 CDEDLP CN(C(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C)C1CC1 ZINC000262229060 391053687 /nfs/dbraw/zinc/05/36/87/391053687.db2.gz LYCXZDSDPYCPGK-LBPRGKRZSA-N 2 2 266.414 1.760 20 30 CDEDLP C[C@H](CCC#N)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000351335310 391065733 /nfs/dbraw/zinc/06/57/33/391065733.db2.gz XPHPUDLOQVVIRR-ZIAGYGMSSA-N 2 2 251.374 1.333 20 30 CDEDLP C[C@H](CCC#N)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000351335310 391065738 /nfs/dbraw/zinc/06/57/38/391065738.db2.gz XPHPUDLOQVVIRR-ZIAGYGMSSA-N 2 2 251.374 1.333 20 30 CDEDLP C[N@H+](CCCO)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000330448802 391434836 /nfs/dbraw/zinc/43/48/36/391434836.db2.gz ZGNHVEJZAKCYBC-HIFRSBDPSA-N 2 2 265.401 1.457 20 30 CDEDLP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000330448802 391434839 /nfs/dbraw/zinc/43/48/39/391434839.db2.gz ZGNHVEJZAKCYBC-HIFRSBDPSA-N 2 2 265.401 1.457 20 30 CDEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)NC1CCCC1 ZINC000261866181 391718665 /nfs/dbraw/zinc/71/86/65/391718665.db2.gz NVPMBBLFLWZMEG-UHFFFAOYSA-N 2 2 292.452 1.953 20 30 CDEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)NC1CCCC1 ZINC000261866181 391718668 /nfs/dbraw/zinc/71/86/68/391718668.db2.gz NVPMBBLFLWZMEG-UHFFFAOYSA-N 2 2 292.452 1.953 20 30 CDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCS[C@@H](C(C)C)C1 ZINC000261683960 391677256 /nfs/dbraw/zinc/67/72/56/391677256.db2.gz DLBPBRMHLFXLCO-CYBMUJFWSA-N 2 2 295.456 1.532 20 30 CDEDLP Cn1c[nH+]cc1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329735432 391765473 /nfs/dbraw/zinc/76/54/73/391765473.db2.gz RYTAIQYSPGQTBH-UHFFFAOYSA-N 2 2 277.372 1.051 20 30 CDEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421345187 392931199 /nfs/dbraw/zinc/93/11/99/392931199.db2.gz QWCVTRGCYNTVCZ-ZDUSSCGKSA-N 2 2 291.370 1.898 20 30 CDEDLP Cc1cc(NC[C@H](C)C[NH+]2CCOCC2)c(C#N)c[nH+]1 ZINC000425223699 392997283 /nfs/dbraw/zinc/99/72/83/392997283.db2.gz CNMDOSALLMOKOC-LBPRGKRZSA-N 2 2 274.368 1.064 20 30 CDEDLP CCC#C[C@@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696574 413380589 /nfs/dbraw/zinc/38/05/89/413380589.db2.gz NGPCJOCQIWDFTM-OAHLLOKOSA-N 2 2 266.429 1.861 20 30 CDEDLP C#CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285326876 196251749 /nfs/dbraw/zinc/25/17/49/196251749.db2.gz BNRFBWFHBDSXQI-UHFFFAOYSA-N 2 2 271.408 1.369 20 30 CDEDLP C#CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285326876 196251751 /nfs/dbraw/zinc/25/17/51/196251751.db2.gz BNRFBWFHBDSXQI-UHFFFAOYSA-N 2 2 271.408 1.369 20 30 CDEDLP CC(C)CNC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000104167866 260619855 /nfs/dbraw/zinc/61/98/55/260619855.db2.gz UYPKGGJEXIJWJL-CQSZACIVSA-N 2 2 280.391 1.989 20 30 CDEDLP CCNC(NCC[N@@H+]1CCc2sccc2C1)=[NH+]CC ZINC000161541841 261250521 /nfs/dbraw/zinc/25/05/21/261250521.db2.gz URBLLTJRFHVGFS-UHFFFAOYSA-N 2 2 280.441 1.681 20 30 CDEDLP CCNC(NCC[N@H+]1CCc2sccc2C1)=[NH+]CC ZINC000161541841 261250524 /nfs/dbraw/zinc/25/05/24/261250524.db2.gz URBLLTJRFHVGFS-UHFFFAOYSA-N 2 2 280.441 1.681 20 30 CDEDLP CC1CCN(C(=[NH2+])NCCCNc2cccc[nH+]2)CC1 ZINC000194687658 262241426 /nfs/dbraw/zinc/24/14/26/262241426.db2.gz DAVKMYYTUADYKQ-UHFFFAOYSA-N 2 2 275.400 1.930 20 30 CDEDLP C=CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000414957503 263162016 /nfs/dbraw/zinc/16/20/16/263162016.db2.gz BWGYMPMLLVFQMM-OAHLLOKOSA-N 2 2 275.396 1.245 20 30 CDEDLP C=CCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653071597 424210625 /nfs/dbraw/zinc/21/06/25/424210625.db2.gz MCRIEJOPEGKRCA-HNNXBMFYSA-N 2 2 275.396 1.480 20 30 CDEDLP CNC(NC[C@@H](c1ccco1)[NH+]1CCCCC1)=[NH+]C ZINC000058159579 277755952 /nfs/dbraw/zinc/75/59/52/277755952.db2.gz KOINMQXDDTYXNY-LBPRGKRZSA-N 2 2 264.373 1.601 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329783663 288114196 /nfs/dbraw/zinc/11/41/96/288114196.db2.gz VGWYCRBTEZVQIU-YPMHNXCESA-N 2 2 289.383 1.095 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329783663 288114199 /nfs/dbraw/zinc/11/41/99/288114199.db2.gz VGWYCRBTEZVQIU-YPMHNXCESA-N 2 2 289.383 1.095 20 30 CDEDLP CSc1ccc([C@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1 ZINC000263211883 330049539 /nfs/dbraw/zinc/04/95/39/330049539.db2.gz ZDYWHANTBMNDMP-RISCZKNCSA-N 2 2 292.452 1.949 20 30 CDEDLP Cc1cn2cc(NC(=O)[C@H]([NH3+])CCCC#N)ccc2[nH+]1 ZINC000424161284 330306911 /nfs/dbraw/zinc/30/69/11/330306911.db2.gz VMZMYQJKFCIACU-GFCCVEGCSA-N 2 2 271.324 1.602 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000491209483 332166380 /nfs/dbraw/zinc/16/63/80/332166380.db2.gz HVDBBORGSLXGFH-XHSDSOJGSA-N 3 2 263.429 1.404 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000491209483 332166381 /nfs/dbraw/zinc/16/63/81/332166381.db2.gz HVDBBORGSLXGFH-XHSDSOJGSA-N 3 2 263.429 1.404 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000491209483 332166382 /nfs/dbraw/zinc/16/63/82/332166382.db2.gz HVDBBORGSLXGFH-XHSDSOJGSA-N 3 2 263.429 1.404 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000491209483 332166384 /nfs/dbraw/zinc/16/63/84/332166384.db2.gz HVDBBORGSLXGFH-XHSDSOJGSA-N 3 2 263.429 1.404 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000491474648 332218141 /nfs/dbraw/zinc/21/81/41/332218141.db2.gz ORHXNRKRIDIKLT-KRWDZBQOSA-N 2 2 299.418 1.380 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000491474648 332218142 /nfs/dbraw/zinc/21/81/42/332218142.db2.gz ORHXNRKRIDIKLT-KRWDZBQOSA-N 2 2 299.418 1.380 20 30 CDEDLP C=C(CC)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000578064669 335475579 /nfs/dbraw/zinc/47/55/79/335475579.db2.gz PCMMHZMIGZZEHW-IHRRRGAJSA-N 2 2 256.390 1.012 20 30 CDEDLP C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682360161 483198289 /nfs/dbraw/zinc/19/82/89/483198289.db2.gz NCLVNWUGKWVOEY-RHSMWYFYSA-N 2 2 293.455 1.873 20 30 CDEDLP C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682360161 483198291 /nfs/dbraw/zinc/19/82/91/483198291.db2.gz NCLVNWUGKWVOEY-RHSMWYFYSA-N 2 2 293.455 1.873 20 30 CDEDLP C=CCOCc1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168741347 1161493544 /nfs/dbraw/zinc/49/35/44/1161493544.db2.gz YKDXUARZAXQKOQ-UHFFFAOYSA-N 2 2 288.395 1.983 20 30 CDEDLP C=CCCC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001113389734 1162166534 /nfs/dbraw/zinc/16/65/34/1162166534.db2.gz OQYNUYLTDLLBOL-HNNXBMFYSA-N 2 2 290.411 1.945 20 30 CDEDLP N#C[C@H]1CCC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC000333302726 534748802 /nfs/dbraw/zinc/74/88/02/534748802.db2.gz QJPPRSGLTMGERL-UONOGXRCSA-N 2 2 285.395 1.985 20 30 CDEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NN1CC[NH+](C)CC1 ZINC000751516980 577047093 /nfs/dbraw/zinc/04/70/93/577047093.db2.gz OAJMPNZVIIQBQA-OAHLLOKOSA-N 2 2 286.423 1.742 20 30 CDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NN1CC[NH+](C)CC1 ZINC000751516980 577047095 /nfs/dbraw/zinc/04/70/95/577047095.db2.gz OAJMPNZVIIQBQA-OAHLLOKOSA-N 2 2 286.423 1.742 20 30 CDEDLP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968596852 613022512 /nfs/dbraw/zinc/02/25/12/613022512.db2.gz NFWKPRKUQQJFRO-WFASDCNBSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968596852 613022513 /nfs/dbraw/zinc/02/25/13/613022513.db2.gz NFWKPRKUQQJFRO-WFASDCNBSA-N 2 2 288.395 1.111 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000972451477 613283595 /nfs/dbraw/zinc/28/35/95/613283595.db2.gz YWYWNMQCOLLDQN-HUUCEWRRSA-N 2 2 290.411 1.943 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000972451477 613283596 /nfs/dbraw/zinc/28/35/96/613283596.db2.gz YWYWNMQCOLLDQN-HUUCEWRRSA-N 2 2 290.411 1.943 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947758796 613328164 /nfs/dbraw/zinc/32/81/64/613328164.db2.gz SKLMSBWRBLWEFC-QWHCGFSZSA-N 2 2 276.384 1.497 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947758796 613328167 /nfs/dbraw/zinc/32/81/67/613328167.db2.gz SKLMSBWRBLWEFC-QWHCGFSZSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000972515754 613630034 /nfs/dbraw/zinc/63/00/34/613630034.db2.gz BQHKVCOABYEFHL-JSGCOSHPSA-N 2 2 276.384 1.307 20 30 CDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000972515754 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CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752971299 1184980159 /nfs/dbraw/zinc/98/01/59/1184980159.db2.gz KZQPAEFBWTVAKA-KBPBESRZSA-N 2 2 288.395 1.383 20 30 CDEDLP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001753055497 1185022904 /nfs/dbraw/zinc/02/29/04/1185022904.db2.gz HRIJJYRHHFYALV-CYBMUJFWSA-N 2 2 276.384 1.070 20 30 CDEDLP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001753055497 1185022909 /nfs/dbraw/zinc/02/29/09/1185022909.db2.gz HRIJJYRHHFYALV-CYBMUJFWSA-N 2 2 276.384 1.070 20 30 CDEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001753460976 1185219338 /nfs/dbraw/zinc/21/93/38/1185219338.db2.gz ITYHIOUBDQGFFO-HNNXBMFYSA-N 2 2 288.395 1.138 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001753460976 1185219340 /nfs/dbraw/zinc/21/93/40/1185219340.db2.gz ITYHIOUBDQGFFO-HNNXBMFYSA-N 2 2 288.395 1.138 20 30 CDEDLP C#CC[NH2+][C@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753482462 1185230623 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1.411 20 30 CDEDLP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001755502751 1185974028 /nfs/dbraw/zinc/97/40/28/1185974028.db2.gz WDONKJSGIKOCQQ-BFHYXJOUSA-N 2 2 288.395 1.411 20 30 CDEDLP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001755690488 1186038174 /nfs/dbraw/zinc/03/81/74/1186038174.db2.gz WSIJXIXZTDTNAA-DGCLKSJQSA-N 2 2 276.384 1.416 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001019655679 790465662 /nfs/dbraw/zinc/46/56/62/790465662.db2.gz VNFZOBNSTASVLA-NSHDSACASA-N 2 2 296.802 1.630 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001044691653 790843503 /nfs/dbraw/zinc/84/35/03/790843503.db2.gz BJTLCIQKVUAKMN-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605515 791133354 /nfs/dbraw/zinc/13/33/54/791133354.db2.gz WHNGICUUJZNDSM-JHJVBQTASA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605515 791133357 /nfs/dbraw/zinc/13/33/57/791133357.db2.gz WHNGICUUJZNDSM-JHJVBQTASA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028605515 791133360 /nfs/dbraw/zinc/13/33/60/791133360.db2.gz WHNGICUUJZNDSM-JHJVBQTASA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028605515 791133363 /nfs/dbraw/zinc/13/33/63/791133363.db2.gz WHNGICUUJZNDSM-JHJVBQTASA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027981108 790116943 /nfs/dbraw/zinc/11/69/43/790116943.db2.gz JMVFEYHCYPZQGA-KGLIPLIRSA-N 2 2 288.395 1.212 20 30 CDEDLP N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000819243562 791353631 /nfs/dbraw/zinc/35/36/31/791353631.db2.gz AZQPXANFKZQSOM-HUUCEWRRSA-N 2 2 282.347 1.393 20 30 CDEDLP CC#CC[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817741 791630693 /nfs/dbraw/zinc/63/06/93/791630693.db2.gz RLUJYDHNAYKGAS-UHFFFAOYSA-N 2 2 282.347 1.019 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001044876708 791794125 /nfs/dbraw/zinc/79/41/25/791794125.db2.gz BSOOHNRQWOGETR-OLZOCXBDSA-N 2 2 262.357 1.038 20 30 CDEDLP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001024513588 791855372 /nfs/dbraw/zinc/85/53/72/791855372.db2.gz RELYXPIWKZMQNQ-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513588 791855375 /nfs/dbraw/zinc/85/53/75/791855375.db2.gz RELYXPIWKZMQNQ-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513588 791855379 /nfs/dbraw/zinc/85/53/79/791855379.db2.gz RELYXPIWKZMQNQ-GJZGRUSLSA-N 2 2 277.412 1.075 20 30 CDEDLP CCCCCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843369843 791904817 /nfs/dbraw/zinc/90/48/17/791904817.db2.gz WPEMSZWUTCETEQ-OAHLLOKOSA-N 2 2 281.444 1.853 20 30 CDEDLP CCCCCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843369843 791904823 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CDEDLP C#CCOCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000853673585 793075809 /nfs/dbraw/zinc/07/58/09/793075809.db2.gz HCZSBUJFJRDCKC-UHFFFAOYSA-N 2 2 275.352 1.035 20 30 CDEDLP CC(C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303905212 793095934 /nfs/dbraw/zinc/09/59/34/793095934.db2.gz ZGEJSDBWSJPNRD-UHFFFAOYSA-N 2 2 275.331 1.824 20 30 CDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034272847 793831910 /nfs/dbraw/zinc/83/19/10/793831910.db2.gz XHGOOEDCXCFCRL-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034272847 793831911 /nfs/dbraw/zinc/83/19/11/793831911.db2.gz XHGOOEDCXCFCRL-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034272847 793831912 /nfs/dbraw/zinc/83/19/12/793831912.db2.gz XHGOOEDCXCFCRL-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034272847 793831913 /nfs/dbraw/zinc/83/19/13/793831913.db2.gz XHGOOEDCXCFCRL-HOTGVXAUSA-N 2 2 291.439 1.465 20 30 CDEDLP C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000878824602 793865380 /nfs/dbraw/zinc/86/53/80/793865380.db2.gz YOBYUARALDFZOJ-CQSZACIVSA-N 2 2 293.455 1.873 20 30 CDEDLP C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000878824602 793865386 /nfs/dbraw/zinc/86/53/86/793865386.db2.gz YOBYUARALDFZOJ-CQSZACIVSA-N 2 2 293.455 1.873 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001020296170 794152137 /nfs/dbraw/zinc/15/21/37/794152137.db2.gz HSUCDISTISALGB-JOCQHMNTSA-N 2 2 284.363 1.989 20 30 CDEDLP COc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1C#N ZINC000925616566 794165812 /nfs/dbraw/zinc/16/58/12/794165812.db2.gz NFCFQKYPRVNEGY-OPSGJAGASA-N 2 2 283.375 1.653 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC)C1 ZINC001034248964 794695540 /nfs/dbraw/zinc/69/55/40/794695540.db2.gz FMKKYRFPOSAHMH-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC)C1 ZINC001034248964 794695551 /nfs/dbraw/zinc/69/55/51/794695551.db2.gz FMKKYRFPOSAHMH-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC)C1 ZINC001034248964 794695558 /nfs/dbraw/zinc/69/55/58/794695558.db2.gz FMKKYRFPOSAHMH-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC)C1 ZINC001034248964 794695566 /nfs/dbraw/zinc/69/55/66/794695566.db2.gz FMKKYRFPOSAHMH-CVEARBPZSA-N 2 2 291.439 1.465 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001037841372 794946369 /nfs/dbraw/zinc/94/63/69/794946369.db2.gz PLTPKQABGYISGT-KBPBESRZSA-N 2 2 290.411 1.745 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038704632 795804214 /nfs/dbraw/zinc/80/42/14/795804214.db2.gz NFMDPNJCTLDGCA-QGZVFWFLSA-N 2 2 299.418 1.228 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038704632 795804215 /nfs/dbraw/zinc/80/42/15/795804215.db2.gz NFMDPNJCTLDGCA-QGZVFWFLSA-N 2 2 299.418 1.228 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038824224 795899058 /nfs/dbraw/zinc/89/90/58/795899058.db2.gz XJBHTYJKZHXVLS-MRXNPFEDSA-N 2 2 285.391 1.186 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038824224 795899061 /nfs/dbraw/zinc/89/90/61/795899061.db2.gz XJBHTYJKZHXVLS-MRXNPFEDSA-N 2 2 285.391 1.186 20 30 CDEDLP C#CC[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000999681710 796138998 /nfs/dbraw/zinc/13/89/98/796138998.db2.gz KZDWASMRFJCOCO-ZDUSSCGKSA-N 2 2 282.347 1.162 20 30 CDEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])NCC1CCC1 ZINC000262024042 796259555 /nfs/dbraw/zinc/25/95/55/796259555.db2.gz YYQXKAHMZRZBFY-UHFFFAOYSA-N 2 2 298.394 1.780 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009347670 796379892 /nfs/dbraw/zinc/37/98/92/796379892.db2.gz TWIYVYXEHLWUBO-CYBMUJFWSA-N 2 2 276.384 1.417 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009347670 796379897 /nfs/dbraw/zinc/37/98/97/796379897.db2.gz TWIYVYXEHLWUBO-CYBMUJFWSA-N 2 2 276.384 1.417 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000988740811 796427383 /nfs/dbraw/zinc/42/73/83/796427383.db2.gz AVMZDPIUYQKQDS-QWHCGFSZSA-N 2 2 276.384 1.497 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175002300 913423677 /nfs/dbraw/zinc/42/36/77/913423677.db2.gz GPLQTWKTGIIELI-UHFFFAOYSA-N 2 2 278.400 1.415 20 30 CDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176174122 913976863 /nfs/dbraw/zinc/97/68/63/913976863.db2.gz BUTODHNQGQDIED-AWEZNQCLSA-N 2 2 290.411 1.251 20 30 CDEDLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC#Cc1ccccc1 ZINC001126436683 904271286 /nfs/dbraw/zinc/27/12/86/904271286.db2.gz HKIUWEUDUDPJHV-UHFFFAOYSA-N 2 2 296.374 1.100 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C)[C@@H]1CC ZINC001087607178 905720366 /nfs/dbraw/zinc/72/03/66/905720366.db2.gz 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20 30 CDEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134376479 929712869 /nfs/dbraw/zinc/71/28/69/929712869.db2.gz NQXSBUWPWWHTNZ-QWHCGFSZSA-N 2 2 298.390 1.762 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134723298 929864845 /nfs/dbraw/zinc/86/48/45/929864845.db2.gz BLBWMOPEAXBTAP-UHFFFAOYSA-N 2 2 298.818 1.855 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001274964458 931617852 /nfs/dbraw/zinc/61/78/52/931617852.db2.gz MRMWPLBWPZETER-HOTGVXAUSA-N 2 2 274.412 1.998 20 30 CDEDLP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001274964458 931617856 /nfs/dbraw/zinc/61/78/56/931617856.db2.gz MRMWPLBWPZETER-HOTGVXAUSA-N 2 2 274.412 1.998 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156016614 937694663 /nfs/dbraw/zinc/69/46/63/937694663.db2.gz IRLYVGCNBBLRAQ-GFCCVEGCSA-N 2 2 264.373 1.355 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156016614 937694665 /nfs/dbraw/zinc/69/46/65/937694665.db2.gz IRLYVGCNBBLRAQ-GFCCVEGCSA-N 2 2 264.373 1.355 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008488245 935404441 /nfs/dbraw/zinc/40/44/41/935404441.db2.gz OKPHZQBFODVSSE-CHWSQXEVSA-N 2 2 288.395 1.596 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008488245 935404445 /nfs/dbraw/zinc/40/44/45/935404445.db2.gz OKPHZQBFODVSSE-CHWSQXEVSA-N 2 2 288.395 1.596 20 30 CDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096349563 936048101 /nfs/dbraw/zinc/04/81/01/936048101.db2.gz BNSZCVFFRAPJSZ-SNPRPXQTSA-N 2 2 288.395 1.260 20 30 CDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096349563 936048104 /nfs/dbraw/zinc/04/81/04/936048104.db2.gz BNSZCVFFRAPJSZ-SNPRPXQTSA-N 2 2 288.395 1.260 20 30 CDEDLP C=CC[N@@H+](C)CCN(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001156672563 938404280 /nfs/dbraw/zinc/40/42/80/938404280.db2.gz TZUJXOGYHNBMTR-UHFFFAOYSA-N 2 2 278.400 1.654 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001156672563 938404282 /nfs/dbraw/zinc/40/42/82/938404282.db2.gz TZUJXOGYHNBMTR-UHFFFAOYSA-N 2 2 278.400 1.654 20 30 CDEDLP N#Cc1cncc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC001160995004 938854824 /nfs/dbraw/zinc/85/48/24/938854824.db2.gz FPVXMFWYBMDXLR-UHFFFAOYSA-N 2 2 294.362 1.370 20 30 CDEDLP C=CCc1cc(C)c[nH+]c1NCc1nnn2c1C[NH2+]CCC2 ZINC001162973409 939167233 /nfs/dbraw/zinc/16/72/33/939167233.db2.gz KLMQUYRJTCDLSW-UHFFFAOYSA-N 2 2 298.394 1.815 20 30 CDEDLP C=CCC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203493961 939689116 /nfs/dbraw/zinc/68/91/16/939689116.db2.gz HPHNPMZQBYOYKS-UHFFFAOYSA-N 2 2 276.384 1.417 20 30 CDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211365116 940750053 /nfs/dbraw/zinc/75/00/53/940750053.db2.gz XVNYRESLRPGQCM-OIISXLGYSA-N 2 2 299.418 1.359 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211365116 940750056 /nfs/dbraw/zinc/75/00/56/940750056.db2.gz XVNYRESLRPGQCM-OIISXLGYSA-N 2 2 299.418 1.359 20 30 CDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215706018 940903130 /nfs/dbraw/zinc/90/31/30/940903130.db2.gz VTKALBNPUCSYST-RBSFLKMASA-N 2 2 288.395 1.294 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228408321 942312043 /nfs/dbraw/zinc/31/20/43/942312043.db2.gz QWVUPXBJSRQRCF-UHFFFAOYSA-N 2 2 276.384 1.119 20 30 CDEDLP C[NH+](C)C1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233383565 943570806 /nfs/dbraw/zinc/57/08/06/943570806.db2.gz MVKWPKJSYMHMOP-UHFFFAOYSA-N 2 2 259.353 1.790 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235168197 944076101 /nfs/dbraw/zinc/07/61/01/944076101.db2.gz CWULEJANEHOQJS-DOTOQJQBSA-N 2 2 284.407 1.960 20 30 CDEDLP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235168197 944076109 /nfs/dbraw/zinc/07/61/09/944076109.db2.gz CWULEJANEHOQJS-DOTOQJQBSA-N 2 2 284.407 1.960 20 30 CDEDLP C#CC[NH+](CC#C)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236967679 944627415 /nfs/dbraw/zinc/62/74/15/944627415.db2.gz OYZIQTTUMFSQTR-UHFFFAOYSA-N 2 2 299.393 1.646 20 30 CDEDLP CCOC(=O)[C@H](CS)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258897013 945442232 /nfs/dbraw/zinc/44/22/32/945442232.db2.gz BZQGFOFEGOAKDW-OLZOCXBDSA-N 2 2 290.473 1.948 20 30 CDEDLP C=CCN1CCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256070959 948193962 /nfs/dbraw/zinc/19/39/62/948193962.db2.gz JAGRVOCFELPKGN-INIZCTEOSA-N 2 2 263.429 1.853 20 30 CDEDLP C[C@H]1C[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246532083 948233137 /nfs/dbraw/zinc/23/31/37/948233137.db2.gz WGOPDQAWPTVPFF-HOCLYGCPSA-N 2 2 284.407 1.821 20 30 CDEDLP C#CC[NH+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256609910 948361937 /nfs/dbraw/zinc/36/19/37/948361937.db2.gz UJVGGEPHCBSNPA-UHFFFAOYSA-N 2 2 297.446 1.902 20 30 CDEDLP C#Cc1cc(NC2=CC[C@@H]([NH+]3CCOCC3)CC2)cc[nH+]1 ZINC001249551772 949662261 /nfs/dbraw/zinc/66/22/61/949662261.db2.gz AZOVSNBGKOFEGS-QGZVFWFLSA-N 2 2 283.375 1.665 20 30 CDEDLP C=C[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252553138 951444591 /nfs/dbraw/zinc/44/45/91/951444591.db2.gz SBQFVIKREGIZSI-UXLLHSPISA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252553138 951444600 /nfs/dbraw/zinc/44/46/00/951444600.db2.gz SBQFVIKREGIZSI-UXLLHSPISA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252553138 951444606 /nfs/dbraw/zinc/44/46/06/951444606.db2.gz SBQFVIKREGIZSI-UXLLHSPISA-N 2 2 287.407 1.382 20 30 CDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252553138 951444612 /nfs/dbraw/zinc/44/46/12/951444612.db2.gz SBQFVIKREGIZSI-UXLLHSPISA-N 2 2 287.407 1.382 20 30 CDEDLP N#CC1CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252950719 951711007 /nfs/dbraw/zinc/71/10/07/951711007.db2.gz MESILPGLRCSZRY-JCYILVPMSA-N 2 2 285.391 1.515 20 30 CDEDLP N#CC1CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252950719 951711009 /nfs/dbraw/zinc/71/10/09/951711009.db2.gz MESILPGLRCSZRY-JCYILVPMSA-N 2 2 285.391 1.515 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)CC1 ZINC001304108730 956169961 /nfs/dbraw/zinc/16/99/61/956169961.db2.gz YWHHGQPINUJTAK-UHFFFAOYSA-N 2 2 288.395 1.495 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001422935936 956461663 /nfs/dbraw/zinc/46/16/63/956461663.db2.gz MTKCVFZZPRIHSC-LLVKDONJSA-N 2 2 284.791 1.381 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001422935936 956461671 /nfs/dbraw/zinc/46/16/71/956461671.db2.gz MTKCVFZZPRIHSC-LLVKDONJSA-N 2 2 284.791 1.381 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001366043021 956528756 /nfs/dbraw/zinc/52/87/56/956528756.db2.gz OMWFTEKBYWCLKD-ZDUSSCGKSA-N 2 2 296.802 1.510 20 30 CDEDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001332399603 957547698 /nfs/dbraw/zinc/54/76/98/957547698.db2.gz DRXIHDOXUGXKOB-SWLSCSKDSA-N 2 2 259.353 1.819 20 30 CDEDLP Cc1[nH+]c(C)n(C[C@@H](O)C[N@H+](C)CCC#N)c1C ZINC001333233300 958175539 /nfs/dbraw/zinc/17/55/39/958175539.db2.gz NRGBGCWXSKCGPV-ZDUSSCGKSA-N 2 2 250.346 1.015 20 30 CDEDLP Cc1[nH+]c(C)n(C[C@@H](O)C[N@@H+](C)CCC#N)c1C ZINC001333233300 958175548 /nfs/dbraw/zinc/17/55/48/958175548.db2.gz NRGBGCWXSKCGPV-ZDUSSCGKSA-N 2 2 250.346 1.015 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001438818902 963561272 /nfs/dbraw/zinc/56/12/72/963561272.db2.gz ZSNMHMVAHBFJCC-ZDUSSCGKSA-N 2 2 298.818 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438904946 963597040 /nfs/dbraw/zinc/59/70/40/963597040.db2.gz YOZJOGHOMKAEPG-UHFFFAOYSA-N 2 2 287.835 1.471 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438904946 963597043 /nfs/dbraw/zinc/59/70/43/963597043.db2.gz YOZJOGHOMKAEPG-UHFFFAOYSA-N 2 2 287.835 1.471 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001343822617 964151923 /nfs/dbraw/zinc/15/19/23/964151923.db2.gz KBACMCLAGJHQIP-AWEZNQCLSA-N 2 2 290.411 1.810 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001441244638 964433329 /nfs/dbraw/zinc/43/33/29/964433329.db2.gz ZXCVMPWRDKVBEP-GFCCVEGCSA-N 2 2 282.775 1.189 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710173 968995563 /nfs/dbraw/zinc/99/55/63/968995563.db2.gz GFWIMCDBQVPVOK-IYXRBSQSSA-N 2 2 290.411 1.791 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001495677805 972590619 /nfs/dbraw/zinc/59/06/19/972590619.db2.gz RMWGMGZTIFBKNT-JTQLQIEISA-N 2 2 284.791 1.437 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001495677805 972590625 /nfs/dbraw/zinc/59/06/25/972590625.db2.gz RMWGMGZTIFBKNT-JTQLQIEISA-N 2 2 284.791 1.437 20 30 CDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001406972739 976497783 /nfs/dbraw/zinc/49/77/83/976497783.db2.gz CNDAZPMXVKNNHL-GFCCVEGCSA-N 2 2 296.802 1.825 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000590167145 342523799 /nfs/dbraw/zinc/52/37/99/342523799.db2.gz YUYOFKPSSAIYEZ-YUELXQCFSA-N 2 2 290.411 1.093 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000590167145 342523800 /nfs/dbraw/zinc/52/38/00/342523800.db2.gz YUYOFKPSSAIYEZ-YUELXQCFSA-N 2 2 290.411 1.093 20 30 CDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000590603518 342577883 /nfs/dbraw/zinc/57/78/83/342577883.db2.gz ZZKNLQRGAHUEGP-INIZCTEOSA-N 2 2 275.396 1.691 20 30 CDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000590603518 342577884 /nfs/dbraw/zinc/57/78/84/342577884.db2.gz ZZKNLQRGAHUEGP-INIZCTEOSA-N 2 2 275.396 1.691 20 30 CDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000590603518 342577885 /nfs/dbraw/zinc/57/78/85/342577885.db2.gz ZZKNLQRGAHUEGP-INIZCTEOSA-N 2 2 275.396 1.691 20 30 CDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000590603518 342577886 /nfs/dbraw/zinc/57/78/86/342577886.db2.gz ZZKNLQRGAHUEGP-INIZCTEOSA-N 2 2 275.396 1.691 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082643 342616831 /nfs/dbraw/zinc/61/68/31/342616831.db2.gz SWSNICYUAWATRR-QWHCGFSZSA-N 2 2 262.357 1.211 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082643 342616832 /nfs/dbraw/zinc/61/68/32/342616832.db2.gz SWSNICYUAWATRR-QWHCGFSZSA-N 2 2 262.357 1.211 20 30 CDEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570825 342637128 /nfs/dbraw/zinc/63/71/28/342637128.db2.gz TVBIGUMZKFHUIU-SMDDNHRTSA-N 2 2 277.343 1.554 20 30 CDEDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000595513031 343082053 /nfs/dbraw/zinc/08/20/53/343082053.db2.gz RHLDWMVQEZEGCK-UHFFFAOYSA-N 2 2 281.444 1.999 20 30 CDEDLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000595513233 343082158 /nfs/dbraw/zinc/08/21/58/343082158.db2.gz SSQYMNDWLJUVEH-AWEZNQCLSA-N 2 2 267.417 1.751 20 30 CDEDLP N#CC1CCC(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000572951291 362028605 /nfs/dbraw/zinc/02/86/05/362028605.db2.gz ALFFBGAQXISLTI-FPCDFSMTSA-N 2 2 277.412 1.673 20 30 CDEDLP CN(C[C@H]1CC[N@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329733068 362029345 /nfs/dbraw/zinc/02/93/45/362029345.db2.gz JIMKEHGOJVDQDC-RYUDHWBXSA-N 2 2 291.399 1.065 20 30 CDEDLP CN(C[C@H]1CC[N@@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329733068 362029351 /nfs/dbraw/zinc/02/93/51/362029351.db2.gz JIMKEHGOJVDQDC-RYUDHWBXSA-N 2 2 291.399 1.065 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000598724063 343885458 /nfs/dbraw/zinc/88/54/58/343885458.db2.gz LULFGGSLSABVGA-VXGBXAGGSA-N 2 2 262.357 1.088 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000602675960 344525891 /nfs/dbraw/zinc/52/58/91/344525891.db2.gz XSHMNPCLHPXZBV-KBPBESRZSA-N 2 2 253.390 1.363 20 30 CDEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000602675960 344525894 /nfs/dbraw/zinc/52/58/94/344525894.db2.gz XSHMNPCLHPXZBV-KBPBESRZSA-N 2 2 253.390 1.363 20 30 CDEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(CCC#N)CC1 ZINC000611244786 346717903 /nfs/dbraw/zinc/71/79/03/346717903.db2.gz WUJVXUQQPWJZKN-CQSZACIVSA-N 2 2 250.390 1.002 20 30 CDEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(CCC#N)CC1 ZINC000611244786 346717906 /nfs/dbraw/zinc/71/79/06/346717906.db2.gz WUJVXUQQPWJZKN-CQSZACIVSA-N 2 2 250.390 1.002 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC000490780709 347577541 /nfs/dbraw/zinc/57/75/41/347577541.db2.gz PQQNAUNIZQPVAC-UHFFFAOYSA-N 2 2 299.418 1.204 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(C)cc2)CC1 ZINC000490780709 347577543 /nfs/dbraw/zinc/57/75/43/347577543.db2.gz PQQNAUNIZQPVAC-UHFFFAOYSA-N 2 2 299.418 1.204 20 30 CDEDLP [NH2+]=C(NCCc1[nH]c2ccccc2[nH+]1)NC1CCCC1 ZINC000264083154 362961876 /nfs/dbraw/zinc/96/18/76/362961876.db2.gz IWZFEIXIIKNOSN-UHFFFAOYSA-N 2 2 271.368 1.952 20 30 CDEDLP CC(C)CCNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000264232903 363003632 /nfs/dbraw/zinc/00/36/32/363003632.db2.gz CODGIOOZCASBKH-UHFFFAOYSA-N 2 2 263.389 1.670 20 30 CDEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000581127342 357565451 /nfs/dbraw/zinc/56/54/51/357565451.db2.gz OTPUJLXEMHAWKZ-AWEZNQCLSA-N 2 2 292.427 1.909 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277175726 359557539 /nfs/dbraw/zinc/55/75/39/359557539.db2.gz KWTQAHXFERSNTL-JKSUJKDBSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277175726 359557546 /nfs/dbraw/zinc/55/75/46/359557546.db2.gz KWTQAHXFERSNTL-JKSUJKDBSA-N 2 2 293.455 1.992 20 30 CDEDLP C=CC[N@@H+](C)CCN(CC)[C@H](C)C[NH+]1CCOCC1 ZINC000448512376 361041445 /nfs/dbraw/zinc/04/14/45/361041445.db2.gz ZBTUTTYQLWKUHS-OAHLLOKOSA-N 2 2 269.433 1.147 20 30 CDEDLP C=CC[N@H+](C)CCN(CC)[C@H](C)C[NH+]1CCOCC1 ZINC000448512376 361041448 /nfs/dbraw/zinc/04/14/48/361041448.db2.gz ZBTUTTYQLWKUHS-OAHLLOKOSA-N 2 2 269.433 1.147 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000435745875 361441006 /nfs/dbraw/zinc/44/10/06/361441006.db2.gz RBJADPOAEMLGJR-KBXIAJHMSA-N 2 2 252.402 1.897 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000435745875 361441009 /nfs/dbraw/zinc/44/10/09/361441009.db2.gz RBJADPOAEMLGJR-KBXIAJHMSA-N 2 2 252.402 1.897 20 30 CDEDLP C=C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000570634699 363835409 /nfs/dbraw/zinc/83/54/09/363835409.db2.gz DXVPOSVDUIYOMJ-HOCLYGCPSA-N 2 2 287.407 1.448 20 30 CDEDLP CN(C)C(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000170906071 365158246 /nfs/dbraw/zinc/15/82/46/365158246.db2.gz FOFKTKVRLKOGIE-GFCCVEGCSA-N 2 2 264.373 1.683 20 30 CDEDLP COCCO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000171233608 365231012 /nfs/dbraw/zinc/23/10/12/365231012.db2.gz KKHDLBWDCQYKLH-UHFFFAOYSA-N 2 2 291.395 1.956 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000371690159 370391048 /nfs/dbraw/zinc/39/10/48/370391048.db2.gz WHHAJESLZWHPIG-CQSZACIVSA-N 2 2 292.427 1.307 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000371690159 370391050 /nfs/dbraw/zinc/39/10/50/370391050.db2.gz WHHAJESLZWHPIG-CQSZACIVSA-N 2 2 292.427 1.307 20 30 CDEDLP COc1ccc(C#N)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000131551561 375286178 /nfs/dbraw/zinc/28/61/78/375286178.db2.gz BCQQCARSCDVTJG-ZIAGYGMSSA-N 2 2 257.337 1.218 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834587 377133822 /nfs/dbraw/zinc/13/38/22/377133822.db2.gz NLTTXBLWTFXCJO-CQSZACIVSA-N 2 2 265.401 1.096 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834587 377133827 /nfs/dbraw/zinc/13/38/27/377133827.db2.gz NLTTXBLWTFXCJO-CQSZACIVSA-N 2 2 265.401 1.096 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000292838116 378518370 /nfs/dbraw/zinc/51/83/70/378518370.db2.gz QIMFXFITRKCXSZ-UHFFFAOYSA-N 2 2 273.384 1.666 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000292838116 378518376 /nfs/dbraw/zinc/51/83/76/378518376.db2.gz QIMFXFITRKCXSZ-UHFFFAOYSA-N 2 2 273.384 1.666 20 30 CDEDLP C#CC[N@H+](C)CCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000292838116 378518382 /nfs/dbraw/zinc/51/83/82/378518382.db2.gz QIMFXFITRKCXSZ-UHFFFAOYSA-N 2 2 273.384 1.666 20 30 CDEDLP C#CC[N@@H+](C)CCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000292838116 378518393 /nfs/dbraw/zinc/51/83/93/378518393.db2.gz QIMFXFITRKCXSZ-UHFFFAOYSA-N 2 2 273.384 1.666 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)C3CC3)CC2)cc1 ZINC000289392997 197326355 /nfs/dbraw/zinc/32/63/55/197326355.db2.gz FGSBJAAYPQECBY-GOSISDBHSA-N 2 2 299.418 1.883 20 30 CDEDLP C#CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289330372 197299195 /nfs/dbraw/zinc/29/91/95/197299195.db2.gz HPLRYYNTMBBBIL-SJORKVTESA-N 2 2 272.392 1.796 20 30 CDEDLP C#CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289330372 197299197 /nfs/dbraw/zinc/29/91/97/197299197.db2.gz HPLRYYNTMBBBIL-SJORKVTESA-N 2 2 272.392 1.796 20 30 CDEDLP C=CCOCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000348043382 391413496 /nfs/dbraw/zinc/41/34/96/391413496.db2.gz GVMFCLWQFPEHQC-IRXDYDNUSA-N 2 2 295.471 1.537 20 30 CDEDLP C=CCOCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000348043382 391413500 /nfs/dbraw/zinc/41/35/00/391413500.db2.gz GVMFCLWQFPEHQC-IRXDYDNUSA-N 2 2 295.471 1.537 20 30 CDEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000261915399 391730061 /nfs/dbraw/zinc/73/00/61/391730061.db2.gz ZHPIVGNOGOCACB-UHFFFAOYSA-N 2 2 264.398 1.173 20 30 CDEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000261915399 391730064 /nfs/dbraw/zinc/73/00/64/391730064.db2.gz ZHPIVGNOGOCACB-UHFFFAOYSA-N 2 2 264.398 1.173 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989218 391870175 /nfs/dbraw/zinc/87/01/75/391870175.db2.gz IPSGMTRQVRJKSF-OAHLLOKOSA-N 2 2 281.444 1.827 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989218 391870179 /nfs/dbraw/zinc/87/01/79/391870179.db2.gz IPSGMTRQVRJKSF-OAHLLOKOSA-N 2 2 281.444 1.827 20 30 CDEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1cccc(C#N)c1 ZINC000423095564 392958211 /nfs/dbraw/zinc/95/82/11/392958211.db2.gz FLPMHJXJKQUGEL-XJKSGUPXSA-N 2 2 273.380 1.457 20 30 CDEDLP CC1=CC[N@H+](CC[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000359700118 158341534 /nfs/dbraw/zinc/34/15/34/158341534.db2.gz LUBUNDMLXJDRCH-UHFFFAOYSA-N 2 2 258.369 1.638 20 30 CDEDLP CC1=CC[N@@H+](CC[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000359700118 158341536 /nfs/dbraw/zinc/34/15/36/158341536.db2.gz LUBUNDMLXJDRCH-UHFFFAOYSA-N 2 2 258.369 1.638 20 30 CDEDLP C=CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)COC ZINC000662299473 414625531 /nfs/dbraw/zinc/62/55/31/414625531.db2.gz QRMXWAKXFYITSU-JTQLQIEISA-N 2 2 268.361 1.286 20 30 CDEDLP C=CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)COC ZINC000662299473 414625534 /nfs/dbraw/zinc/62/55/34/414625534.db2.gz QRMXWAKXFYITSU-JTQLQIEISA-N 2 2 268.361 1.286 20 30 CDEDLP C=CCc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc(OC)c1O ZINC000414860688 263075224 /nfs/dbraw/zinc/07/52/24/263075224.db2.gz CYFHQSXJTPHNJM-CQSZACIVSA-N 2 2 276.380 1.971 20 30 CDEDLP CC[NH+]=C(NCC(F)F)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261947034 328143246 /nfs/dbraw/zinc/14/32/46/328143246.db2.gz GFGAVGXFCKGKEI-NWDGAFQWSA-N 2 2 299.369 1.997 20 30 CDEDLP CNC(NCC[N@H+](C)Cc1ccc(F)cc1)=[NH+]C ZINC000267327784 328177261 /nfs/dbraw/zinc/17/72/61/328177261.db2.gz OAZGNPREHRFMIM-UHFFFAOYSA-N 2 2 252.337 1.052 20 30 CDEDLP CNC(NCC[N@@H+](C)Cc1ccc(F)cc1)=[NH+]C ZINC000267327784 328177263 /nfs/dbraw/zinc/17/72/63/328177263.db2.gz OAZGNPREHRFMIM-UHFFFAOYSA-N 2 2 252.337 1.052 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000378429547 329050025 /nfs/dbraw/zinc/05/00/25/329050025.db2.gz MCWMRNFGCNUKFF-ZDUSSCGKSA-N 2 2 265.401 1.237 20 30 CDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000378429547 329050026 /nfs/dbraw/zinc/05/00/26/329050026.db2.gz MCWMRNFGCNUKFF-ZDUSSCGKSA-N 2 2 265.401 1.237 20 30 CDEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])N2CCCCCC2)n1C ZINC000262563637 330021518 /nfs/dbraw/zinc/02/15/18/330021518.db2.gz XFDLAPGCOXUQGS-UHFFFAOYSA-N 2 2 278.404 1.177 20 30 CDEDLP C[C@H]1C[NH+]=C(NCc2c(Cl)cccc2-n2cc[nH+]c2)N1 ZINC000263064914 330041590 /nfs/dbraw/zinc/04/15/90/330041590.db2.gz FZTQLLMCSHKEPL-JTQLQIEISA-N 2 2 289.770 1.963 20 30 CDEDLP C#CC[NH+]1CCC(c2nc(Cc3c[nH+]cn3C)no2)CC1 ZINC000491252066 332174176 /nfs/dbraw/zinc/17/41/76/332174176.db2.gz FEKGWVKVGYBICQ-UHFFFAOYSA-N 2 2 285.351 1.207 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1CCCCC1 ZINC000491678842 332283201 /nfs/dbraw/zinc/28/32/01/332283201.db2.gz VJPBMOBNESLEEQ-MRXNPFEDSA-N 2 2 282.428 1.193 20 30 CDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1CCCCC1 ZINC000491678842 332283202 /nfs/dbraw/zinc/28/32/02/332283202.db2.gz VJPBMOBNESLEEQ-MRXNPFEDSA-N 2 2 282.428 1.193 20 30 CDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1CCCCC1 ZINC000491678842 332283203 /nfs/dbraw/zinc/28/32/03/332283203.db2.gz VJPBMOBNESLEEQ-MRXNPFEDSA-N 2 2 282.428 1.193 20 30 CDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1CCCCC1 ZINC000491678842 332283204 /nfs/dbraw/zinc/28/32/04/332283204.db2.gz VJPBMOBNESLEEQ-MRXNPFEDSA-N 2 2 282.428 1.193 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000491765882 332334088 /nfs/dbraw/zinc/33/40/88/332334088.db2.gz GEFMDQHPPIYHGQ-NVXWUHKLSA-N 2 2 299.418 1.236 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000491765882 332334089 /nfs/dbraw/zinc/33/40/89/332334089.db2.gz GEFMDQHPPIYHGQ-NVXWUHKLSA-N 2 2 299.418 1.236 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nn1 ZINC000576936965 335266015 /nfs/dbraw/zinc/26/60/15/335266015.db2.gz QPKIRAJYOHKIID-BZUAXINKSA-N 2 2 289.427 1.865 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000988749551 1160646217 /nfs/dbraw/zinc/64/62/17/1160646217.db2.gz IJIALWPAYCEXEV-NEPJUHHUSA-N 2 2 296.802 1.674 20 30 CDEDLP C=CCn1nnn(C[NH+]2CCC(C[NH+](C)C)CC2)c1=S ZINC000738075572 574557144 /nfs/dbraw/zinc/55/71/44/574557144.db2.gz FMBWEKSDNJNXBF-UHFFFAOYSA-N 2 2 296.444 1.226 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000752933293 577135256 /nfs/dbraw/zinc/13/52/56/577135256.db2.gz LLKPNBJDGHOFSO-UHFFFAOYSA-N 2 2 298.390 1.665 20 30 CDEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000971538228 613095696 /nfs/dbraw/zinc/09/56/96/613095696.db2.gz ZRHDUGAKTYGJGX-HNNXBMFYSA-N 2 2 296.374 1.422 20 30 CDEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000971538228 613095698 /nfs/dbraw/zinc/09/56/98/613095698.db2.gz ZRHDUGAKTYGJGX-HNNXBMFYSA-N 2 2 296.374 1.422 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974738441 613283456 /nfs/dbraw/zinc/28/34/56/613283456.db2.gz VWLIDYJUBKPVFL-OAHLLOKOSA-N 2 2 296.374 1.636 20 30 CDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974738441 613283458 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939476704 /nfs/dbraw/zinc/47/67/04/939476704.db2.gz QYAOQFXFNXGYBN-GHMZBOCLSA-N 2 2 269.352 1.998 20 30 CDEDLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C#N)n(C)c3)C[C@H]2C1 ZINC001207110483 940151976 /nfs/dbraw/zinc/15/19/76/940151976.db2.gz OFMWVLJHMSILPF-HUUCEWRRSA-N 2 2 272.396 1.670 20 30 CDEDLP CC(C)(C)n1cc(C#N)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218559906 941236504 /nfs/dbraw/zinc/23/65/04/941236504.db2.gz VQLATIHUPLEBCW-UHFFFAOYSA-N 2 2 289.383 1.134 20 30 CDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cnc([C@@H](C)[NH3+])s1 ZINC001220868685 941479037 /nfs/dbraw/zinc/47/90/37/941479037.db2.gz OZOFJOIYWQOOMW-MNOVXSKESA-N 2 2 294.424 1.543 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc([C@@H](C)[NH3+])s1 ZINC001220868685 941479038 /nfs/dbraw/zinc/47/90/38/941479038.db2.gz OZOFJOIYWQOOMW-MNOVXSKESA-N 2 2 294.424 1.543 20 30 CDEDLP C#CCC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223987534 941712867 /nfs/dbraw/zinc/71/28/67/941712867.db2.gz QQDGBDKQYGHZQN-UHFFFAOYSA-N 2 2 288.395 1.125 20 30 CDEDLP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C#N)CC3)cn2)CC1 ZINC001232360370 943241682 /nfs/dbraw/zinc/24/16/82/943241682.db2.gz GMEKVHPBTIDUQH-UHFFFAOYSA-N 2 2 299.422 1.569 20 30 CDEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3O)C[C@@H]2C1 ZINC001233387111 943574174 /nfs/dbraw/zinc/57/41/74/943574174.db2.gz VHTSYZAXQAFRKA-OKILXGFUSA-N 2 2 257.337 1.257 20 30 CDEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3O)C[C@@H]2C1 ZINC001233387111 943574176 /nfs/dbraw/zinc/57/41/76/943574176.db2.gz VHTSYZAXQAFRKA-OKILXGFUSA-N 2 2 257.337 1.257 20 30 CDEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3O)C[C@@H]2C1 ZINC001233387111 943574178 /nfs/dbraw/zinc/57/41/78/943574178.db2.gz VHTSYZAXQAFRKA-OKILXGFUSA-N 2 2 257.337 1.257 20 30 CDEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3O)C[C@@H]2C1 ZINC001233387111 943574181 /nfs/dbraw/zinc/57/41/81/943574181.db2.gz VHTSYZAXQAFRKA-OKILXGFUSA-N 2 2 257.337 1.257 20 30 CDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(Cl)c1 ZINC001236002194 944369453 /nfs/dbraw/zinc/36/94/53/944369453.db2.gz RVQWCGPEKQRNDU-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(Cl)c1 ZINC001236002194 944369456 /nfs/dbraw/zinc/36/94/56/944369456.db2.gz RVQWCGPEKQRNDU-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]([NH3+])C3(COC3)C2)CC1 ZINC001237175298 944674998 /nfs/dbraw/zinc/67/49/98/944674998.db2.gz HYERDZJKGNGTFU-HUUCEWRRSA-N 2 2 262.397 1.949 20 30 CDEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]([NH3+])C3(COC3)C2)CC1 ZINC001237175298 944675001 /nfs/dbraw/zinc/67/50/01/944675001.db2.gz HYERDZJKGNGTFU-HUUCEWRRSA-N 2 2 262.397 1.949 20 30 CDEDLP N#Cc1ccc(C2CCC([N@@H+]3C[C@@H]([NH3+])[C@H](O)C3)CC2)cc1 ZINC001246561056 948274894 /nfs/dbraw/zinc/27/48/94/948274894.db2.gz XKBLTDBBMYVGRE-BHUNQDJPSA-N 2 2 285.391 1.588 20 30 CDEDLP N#Cc1ccc(C2CCC([N@H+]3C[C@@H]([NH3+])[C@H](O)C3)CC2)cc1 ZINC001246561056 948274904 /nfs/dbraw/zinc/27/49/04/948274904.db2.gz XKBLTDBBMYVGRE-BHUNQDJPSA-N 2 2 285.391 1.588 20 30 CDEDLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001253209331 951808230 /nfs/dbraw/zinc/80/82/30/951808230.db2.gz DXYCGMBMGIGTBT-WMLDXEAASA-N 2 2 287.407 1.838 20 30 CDEDLP C=C[C@H](O)C[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001253581464 951971204 /nfs/dbraw/zinc/97/12/04/951971204.db2.gz CMWDTDFZRFJLPE-CABCVRRESA-N 2 2 268.401 1.109 20 30 CDEDLP C=C[C@H](O)C[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001253581464 951971210 /nfs/dbraw/zinc/97/12/10/951971210.db2.gz CMWDTDFZRFJLPE-CABCVRRESA-N 2 2 268.401 1.109 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001367837375 958416702 /nfs/dbraw/zinc/41/67/02/958416702.db2.gz QQSZDWGCJLUTIR-NEPJUHHUSA-N 2 2 275.824 1.516 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001367837375 958416710 /nfs/dbraw/zinc/41/67/10/958416710.db2.gz QQSZDWGCJLUTIR-NEPJUHHUSA-N 2 2 275.824 1.516 20 30 CDEDLP CC(C)(C)NC(NCCn1cc[nH+]c1)=[NH+]C[C@H]1CCOC1 ZINC001338384732 961771978 /nfs/dbraw/zinc/77/19/78/961771978.db2.gz WBLQYXVHPVSVCZ-CYBMUJFWSA-N 2 2 293.415 1.253 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001444131434 965741639 /nfs/dbraw/zinc/74/16/39/965741639.db2.gz HAIRVVVCXREMAH-CQSZACIVSA-N 2 2 296.802 1.579 20 30 CDEDLP C#CC[NH2+]CC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001521470609 970300972 /nfs/dbraw/zinc/30/09/72/970300972.db2.gz RPUBZOZLVNYETO-CQSZACIVSA-N 2 2 289.379 1.064 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001496205690 972840471 /nfs/dbraw/zinc/84/04/71/972840471.db2.gz BMSPNNURBVDWRU-LLVKDONJSA-N 2 2 284.791 1.152 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001375092509 974256742 /nfs/dbraw/zinc/25/67/42/974256742.db2.gz HRTPRFUERNTRKG-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001375092509 974256746 /nfs/dbraw/zinc/25/67/46/974256746.db2.gz HRTPRFUERNTRKG-GFCCVEGCSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001376612789 974697730 /nfs/dbraw/zinc/69/77/30/974697730.db2.gz SUBLUMMMLRPFJW-LBPRGKRZSA-N 2 2 296.802 1.675 20 30 CDEDLP C#CC[N@H+](CC#CC)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001574631667 1170995892 /nfs/dbraw/zinc/99/58/92/1170995892.db2.gz BWIGRRPJFHZWPL-UHFFFAOYSA-N 2 2 271.364 1.148 20 30 CDEDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000314208295 342527871 /nfs/dbraw/zinc/52/78/71/342527871.db2.gz UPFFFOZKMDCFFE-BBRMVZONSA-N 2 2 291.395 1.148 20 30 CDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000314208295 342527872 /nfs/dbraw/zinc/52/78/72/342527872.db2.gz UPFFFOZKMDCFFE-BBRMVZONSA-N 2 2 291.395 1.148 20 30 CDEDLP C[C@H](NC(=O)NCc1[nH+]ccn1C)C1=CC[N@H+](C)CC1 ZINC000329703343 361876030 /nfs/dbraw/zinc/87/60/30/361876030.db2.gz IQPMURUOSCUROG-NSHDSACASA-N 2 2 277.372 1.074 20 30 CDEDLP C[C@H](NC(=O)NCc1[nH+]ccn1C)C1=CC[N@@H+](C)CC1 ZINC000329703343 361876037 /nfs/dbraw/zinc/87/60/37/361876037.db2.gz IQPMURUOSCUROG-NSHDSACASA-N 2 2 277.372 1.074 20 30 CDEDLP CC[C@H](CC#N)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000594009483 342863314 /nfs/dbraw/zinc/86/33/14/342863314.db2.gz VRQQJNKVKLUFBF-CYBMUJFWSA-N 2 2 280.416 1.257 20 30 CDEDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000593971246 342858677 /nfs/dbraw/zinc/85/86/77/342858677.db2.gz GLIZUKIHGKCNOQ-DOMZBBRYSA-N 2 2 261.369 1.521 20 30 CDEDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000593971246 342858678 /nfs/dbraw/zinc/85/86/78/342858678.db2.gz GLIZUKIHGKCNOQ-DOMZBBRYSA-N 2 2 261.369 1.521 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000594499031 342914230 /nfs/dbraw/zinc/91/42/30/342914230.db2.gz ARMVTZALIIJHAX-YUELXQCFSA-N 2 2 263.385 1.522 20 30 CDEDLP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000595099942 343004047 /nfs/dbraw/zinc/00/40/47/343004047.db2.gz HAWHJLYGHWBFLE-VNQPRFMTSA-N 2 2 277.412 1.912 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000442815330 362093949 /nfs/dbraw/zinc/09/39/49/362093949.db2.gz DXSSNLPNMOVPCM-OWSLCNJRSA-N 2 2 299.418 1.904 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000442815330 362093956 /nfs/dbraw/zinc/09/39/56/362093956.db2.gz DXSSNLPNMOVPCM-OWSLCNJRSA-N 2 2 299.418 1.904 20 30 CDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCC1CC1 ZINC000080515940 342355240 /nfs/dbraw/zinc/35/52/40/342355240.db2.gz ABBLDVYWWXWKMX-UHFFFAOYSA-N 2 2 292.452 1.681 20 30 CDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCC1CC1 ZINC000080515940 342355241 /nfs/dbraw/zinc/35/52/41/342355241.db2.gz ABBLDVYWWXWKMX-UHFFFAOYSA-N 2 2 292.452 1.681 20 30 CDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C[N@@H+]1C1CC1 ZINC000598723388 343884678 /nfs/dbraw/zinc/88/46/78/343884678.db2.gz GQWZKELZAYPYIL-DYEKYZERSA-N 2 2 265.401 1.502 20 30 CDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C[N@H+]1C1CC1 ZINC000598723388 343884680 /nfs/dbraw/zinc/88/46/80/343884680.db2.gz GQWZKELZAYPYIL-DYEKYZERSA-N 2 2 265.401 1.502 20 30 CDEDLP C[NH+](C)[C@]1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CCSC1 ZINC000598724945 343885906 /nfs/dbraw/zinc/88/59/06/343885906.db2.gz MQKARMJHEWTLSF-OCCSQVGLSA-N 2 2 285.457 1.314 20 30 CDEDLP C[C@H](CCC#N)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000602563923 344482113 /nfs/dbraw/zinc/48/21/13/344482113.db2.gz IDHXGVAVIINVFX-CHWSQXEVSA-N 2 2 255.431 1.953 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000618905481 345447954 /nfs/dbraw/zinc/44/79/54/345447954.db2.gz JDZQTCOEYWIVSR-UHFFFAOYSA-N 2 2 282.351 1.009 20 30 CDEDLP N#CCCN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000611175170 346629198 /nfs/dbraw/zinc/62/91/98/346629198.db2.gz YAXVYKDPDOWWNV-UHFFFAOYSA-N 2 2 295.390 1.904 20 30 CDEDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602530851 350121806 /nfs/dbraw/zinc/12/18/06/350121806.db2.gz UCSBARQGQFOTJW-ZDUSSCGKSA-N 2 2 258.369 1.775 20 30 CDEDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602530851 350121809 /nfs/dbraw/zinc/12/18/09/350121809.db2.gz UCSBARQGQFOTJW-ZDUSSCGKSA-N 2 2 258.369 1.775 20 30 CDEDLP Cc1ccc([C@@H](CNC(=[NH2+])NC2CC2)[NH+](C)C)cc1 ZINC000264103560 362968597 /nfs/dbraw/zinc/96/85/97/362968597.db2.gz OVIGXLWRBMRULM-CQSZACIVSA-N 2 2 260.385 1.664 20 30 CDEDLP O[C@@H](C[NH2+]CC#Cc1ccccc1)C[NH+]1CCCC1 ZINC000629554361 362982306 /nfs/dbraw/zinc/98/23/06/362982306.db2.gz GEOYLKXDEXSSIO-INIZCTEOSA-N 2 2 258.365 1.084 20 30 CDEDLP N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc[nH+]c(N)c3)C2)nc1 ZINC000292323863 198244708 /nfs/dbraw/zinc/24/47/08/198244708.db2.gz VYSOHLGARWPIOW-CQSZACIVSA-N 2 2 295.346 1.584 20 30 CDEDLP N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc[nH+]c(N)c3)C2)nc1 ZINC000292323863 198244710 /nfs/dbraw/zinc/24/47/10/198244710.db2.gz VYSOHLGARWPIOW-CQSZACIVSA-N 2 2 295.346 1.584 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266918619 359345464 /nfs/dbraw/zinc/34/54/64/359345464.db2.gz LHEJRBUAKSKDPT-NWDGAFQWSA-N 2 2 262.357 1.280 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266918619 359345467 /nfs/dbraw/zinc/34/54/67/359345467.db2.gz LHEJRBUAKSKDPT-NWDGAFQWSA-N 2 2 262.357 1.280 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1=O ZINC000337225804 360037012 /nfs/dbraw/zinc/03/70/12/360037012.db2.gz OUUZKWMDHRIFHP-UONOGXRCSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+](C)CC[C@@H]2CCC[NH+]2C)C1=O ZINC000337225804 360037017 /nfs/dbraw/zinc/03/70/17/360037017.db2.gz OUUZKWMDHRIFHP-UONOGXRCSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC000337225804 360037022 /nfs/dbraw/zinc/03/70/22/360037022.db2.gz OUUZKWMDHRIFHP-UONOGXRCSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CCN1CC[C@@H]([NH+](C)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000337225804 360037026 /nfs/dbraw/zinc/03/70/26/360037026.db2.gz OUUZKWMDHRIFHP-UONOGXRCSA-N 2 2 265.401 1.189 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429538341 360849266 /nfs/dbraw/zinc/84/92/66/360849266.db2.gz OXBPMNJBLCDSGQ-KGLIPLIRSA-N 2 2 292.427 1.353 20 30 CDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429538341 360849269 /nfs/dbraw/zinc/84/92/69/360849269.db2.gz OXBPMNJBLCDSGQ-KGLIPLIRSA-N 2 2 292.427 1.353 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000248177263 361282790 /nfs/dbraw/zinc/28/27/90/361282790.db2.gz VUEOSGFQJBVYNS-OFQRWUPVSA-N 3 2 265.445 1.955 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000248177263 361282799 /nfs/dbraw/zinc/28/27/99/361282799.db2.gz VUEOSGFQJBVYNS-OFQRWUPVSA-N 3 2 265.445 1.955 20 30 CDEDLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329410036 361502681 /nfs/dbraw/zinc/50/26/81/361502681.db2.gz XYBZUMFERTUXIZ-LLVKDONJSA-N 2 2 277.372 1.003 20 30 CDEDLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329410036 361502686 /nfs/dbraw/zinc/50/26/86/361502686.db2.gz XYBZUMFERTUXIZ-LLVKDONJSA-N 2 2 277.372 1.003 20 30 CDEDLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1C#N ZINC000226056533 364987801 /nfs/dbraw/zinc/98/78/01/364987801.db2.gz SMYONIFNLHOVDJ-CQSZACIVSA-N 2 2 259.353 1.751 20 30 CDEDLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1C#N ZINC000226056533 364987808 /nfs/dbraw/zinc/98/78/08/364987808.db2.gz SMYONIFNLHOVDJ-CQSZACIVSA-N 2 2 259.353 1.751 20 30 CDEDLP C[C@@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCc2sccc2C1 ZINC000170906290 365158558 /nfs/dbraw/zinc/15/85/58/365158558.db2.gz ZOCZLHQAFFDIJR-JTQLQIEISA-N 2 2 266.414 1.371 20 30 CDEDLP C[C@@H](CNC(=[NH2+])N(C)C)[N@H+]1CCc2sccc2C1 ZINC000170906290 365158567 /nfs/dbraw/zinc/15/85/67/365158567.db2.gz ZOCZLHQAFFDIJR-JTQLQIEISA-N 2 2 266.414 1.371 20 30 CDEDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271913865 367037172 /nfs/dbraw/zinc/03/71/72/367037172.db2.gz FTLMLUNNOWQHIG-DOMZBBRYSA-N 2 2 291.370 1.805 20 30 CDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276584427 193389963 /nfs/dbraw/zinc/38/99/63/193389963.db2.gz CGKLJFBPBHFWSC-XHDPSFHLSA-N 2 2 258.369 1.469 20 30 CDEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276584427 193389965 /nfs/dbraw/zinc/38/99/65/193389965.db2.gz CGKLJFBPBHFWSC-XHDPSFHLSA-N 2 2 258.369 1.469 20 30 CDEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000358248921 373950272 /nfs/dbraw/zinc/95/02/72/373950272.db2.gz JNNPNRXODSNIHL-XHDPSFHLSA-N 2 2 277.343 1.415 20 30 CDEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000358248921 373950278 /nfs/dbraw/zinc/95/02/78/373950278.db2.gz JNNPNRXODSNIHL-XHDPSFHLSA-N 2 2 277.343 1.415 20 30 CDEDLP C#Cc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000289495350 197375231 /nfs/dbraw/zinc/37/52/31/197375231.db2.gz CYPKQCACMOIZRJ-UHFFFAOYSA-N 2 2 286.419 1.947 20 30 CDEDLP C#Cc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000289495350 197375233 /nfs/dbraw/zinc/37/52/33/197375233.db2.gz CYPKQCACMOIZRJ-UHFFFAOYSA-N 2 2 286.419 1.947 20 30 CDEDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(C#N)c(F)c1 ZINC000423502656 374385246 /nfs/dbraw/zinc/38/52/46/374385246.db2.gz FEYAUNVSQSZUOB-BXUZGUMPSA-N 2 2 276.359 1.252 20 30 CDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1C ZINC000123999063 375887577 /nfs/dbraw/zinc/88/75/77/375887577.db2.gz RGXWDKYGTCRYOZ-INWMFGNUSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+]1C ZINC000123999063 375887583 /nfs/dbraw/zinc/88/75/83/375887583.db2.gz RGXWDKYGTCRYOZ-INWMFGNUSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1C ZINC000123999063 375887588 /nfs/dbraw/zinc/88/75/88/375887588.db2.gz RGXWDKYGTCRYOZ-INWMFGNUSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1C ZINC000123999063 375887597 /nfs/dbraw/zinc/88/75/97/375887597.db2.gz RGXWDKYGTCRYOZ-INWMFGNUSA-N 2 2 292.427 1.209 20 30 CDEDLP C#CCC[NH+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000162488175 377416715 /nfs/dbraw/zinc/41/67/15/377416715.db2.gz IHBPDXXFCPACQS-UHFFFAOYSA-N 2 2 287.407 1.848 20 30 CDEDLP CC#CC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000293309577 378555531 /nfs/dbraw/zinc/55/55/31/378555531.db2.gz WXQSSIUMYYMMHR-MRXNPFEDSA-N 2 2 287.407 1.361 20 30 CDEDLP CC#CC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000293309577 378555537 /nfs/dbraw/zinc/55/55/37/378555537.db2.gz WXQSSIUMYYMMHR-MRXNPFEDSA-N 2 2 287.407 1.361 20 30 CDEDLP C=CC(C)(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194406 379176556 /nfs/dbraw/zinc/17/65/56/379176556.db2.gz RHVMNNLVSCDOBL-UHFFFAOYSA-N 2 2 288.395 1.984 20 30 CDEDLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1=CC[N@H+](C)CC1 ZINC000330022982 533100205 /nfs/dbraw/zinc/10/02/05/533100205.db2.gz HZFYAUVOTDCADC-LLVKDONJSA-N 2 2 262.357 1.949 20 30 CDEDLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1=CC[N@@H+](C)CC1 ZINC000330022982 533100209 /nfs/dbraw/zinc/10/02/09/533100209.db2.gz HZFYAUVOTDCADC-LLVKDONJSA-N 2 2 262.357 1.949 20 30 CDEDLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1=CC[N@H+](C)CC1 ZINC000330022982 533100210 /nfs/dbraw/zinc/10/02/10/533100210.db2.gz HZFYAUVOTDCADC-LLVKDONJSA-N 2 2 262.357 1.949 20 30 CDEDLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000330022982 533100215 /nfs/dbraw/zinc/10/02/15/533100215.db2.gz HZFYAUVOTDCADC-LLVKDONJSA-N 2 2 262.357 1.949 20 30 CDEDLP C[N@H+](CCCO)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119661570 390550133 /nfs/dbraw/zinc/55/01/33/390550133.db2.gz CPHYKGIWGXOTIA-UHFFFAOYSA-N 2 2 267.417 1.705 20 30 CDEDLP C[N@@H+](CCCO)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119661570 390550137 /nfs/dbraw/zinc/55/01/37/390550137.db2.gz CPHYKGIWGXOTIA-UHFFFAOYSA-N 2 2 267.417 1.705 20 30 CDEDLP O=C(NCCNc1cccc[nH+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329489386 390998009 /nfs/dbraw/zinc/99/80/09/390998009.db2.gz YKSFVLMYHQEXGO-LBPRGKRZSA-N 2 2 289.383 1.234 20 30 CDEDLP O=C(NCCNc1cccc[nH+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329489386 390998014 /nfs/dbraw/zinc/99/80/14/390998014.db2.gz YKSFVLMYHQEXGO-LBPRGKRZSA-N 2 2 289.383 1.234 20 30 CDEDLP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000330448801 391434762 /nfs/dbraw/zinc/43/47/62/391434762.db2.gz ZGNHVEJZAKCYBC-DZGCQCFKSA-N 2 2 265.401 1.457 20 30 CDEDLP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000330448801 391434763 /nfs/dbraw/zinc/43/47/63/391434763.db2.gz ZGNHVEJZAKCYBC-DZGCQCFKSA-N 2 2 265.401 1.457 20 30 CDEDLP C[C@@H]1C[NH+]=C(NCC[N@H+](C)Cc2ccc(F)cc2)N1 ZINC000262683079 391811951 /nfs/dbraw/zinc/81/19/51/391811951.db2.gz XEKHSBHQFVPJHI-LLVKDONJSA-N 2 2 264.348 1.195 20 30 CDEDLP C[C@@H]1C[NH+]=C(NCC[N@@H+](C)Cc2ccc(F)cc2)N1 ZINC000262683079 391811953 /nfs/dbraw/zinc/81/19/53/391811953.db2.gz XEKHSBHQFVPJHI-LLVKDONJSA-N 2 2 264.348 1.195 20 30 CDEDLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423341362 392961646 /nfs/dbraw/zinc/96/16/46/392961646.db2.gz UFSMBWQLDFBAIO-LLVKDONJSA-N 2 2 265.332 1.584 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)o1 ZINC000253191228 140330611 /nfs/dbraw/zinc/33/06/11/140330611.db2.gz LXKBIFQHZUKTAB-FZMZJTMJSA-N 2 2 261.325 1.104 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)o1 ZINC000253191228 140330613 /nfs/dbraw/zinc/33/06/13/140330613.db2.gz LXKBIFQHZUKTAB-FZMZJTMJSA-N 2 2 261.325 1.104 20 30 CDEDLP C[NH+](C)CCCN(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283458116 263082987 /nfs/dbraw/zinc/08/29/87/263082987.db2.gz LJPSYRSNDBEKBZ-AATRIKPKSA-N 2 2 275.356 1.117 20 30 CDEDLP CC(C)[NH2+]C1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000330757979 264030663 /nfs/dbraw/zinc/03/06/63/264030663.db2.gz YFLFQWHGXQRUTA-UHFFFAOYSA-N 2 2 279.388 1.297 20 30 CDEDLP C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371145681 267354727 /nfs/dbraw/zinc/35/47/27/267354727.db2.gz CGIIDMAYMKCMIR-MRXNPFEDSA-N 2 2 293.455 1.970 20 30 CDEDLP C=CCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371145681 267354730 /nfs/dbraw/zinc/35/47/30/267354730.db2.gz CGIIDMAYMKCMIR-MRXNPFEDSA-N 2 2 293.455 1.970 20 30 CDEDLP CCc1ccc(NC(=[NH2+])NCc2c[nH+]cn2C)cc1 ZINC000262290287 330004520 /nfs/dbraw/zinc/00/45/20/330004520.db2.gz BOQUJPHAPLUHPN-UHFFFAOYSA-N 2 2 257.341 1.909 20 30 CDEDLP Cc1[nH]c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2[nH+]1 ZINC000424087059 330223837 /nfs/dbraw/zinc/22/38/37/330223837.db2.gz HFWYLWRQSKKDKD-NSHDSACASA-N 2 2 271.324 1.831 20 30 CDEDLP C=CC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451536718 331032898 /nfs/dbraw/zinc/03/28/98/331032898.db2.gz QCDGZZKMWXIFCR-INIZCTEOSA-N 2 2 279.428 1.439 20 30 CDEDLP C=CC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451536718 331032899 /nfs/dbraw/zinc/03/28/99/331032899.db2.gz QCDGZZKMWXIFCR-INIZCTEOSA-N 2 2 279.428 1.439 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451536718 331032900 /nfs/dbraw/zinc/03/29/00/331032900.db2.gz QCDGZZKMWXIFCR-INIZCTEOSA-N 2 2 279.428 1.439 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451536718 331032901 /nfs/dbraw/zinc/03/29/01/331032901.db2.gz QCDGZZKMWXIFCR-INIZCTEOSA-N 2 2 279.428 1.439 20 30 CDEDLP C#CC[N@@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491738040 332317782 /nfs/dbraw/zinc/31/77/82/332317782.db2.gz MHZUKJQPJYMOPV-UHFFFAOYSA-N 2 2 272.392 1.974 20 30 CDEDLP C#CC[N@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491738040 332317783 /nfs/dbraw/zinc/31/77/83/332317783.db2.gz MHZUKJQPJYMOPV-UHFFFAOYSA-N 2 2 272.392 1.974 20 30 CDEDLP C#CC[N@@H+](CC#CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491808778 332361712 /nfs/dbraw/zinc/36/17/12/332361712.db2.gz FLSVCDPXVJNFFI-UHFFFAOYSA-N 2 2 296.414 1.977 20 30 CDEDLP C#CC[N@H+](CC#CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491808778 332361713 /nfs/dbraw/zinc/36/17/13/332361713.db2.gz FLSVCDPXVJNFFI-UHFFFAOYSA-N 2 2 296.414 1.977 20 30 CDEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001752787908 1160275540 /nfs/dbraw/zinc/27/55/40/1160275540.db2.gz WSXFBPWKDXRSDF-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001752787908 1160275548 /nfs/dbraw/zinc/27/55/48/1160275548.db2.gz WSXFBPWKDXRSDF-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=C(C)C[NH+]1CCC(Nc2nc[nH+]c3c2OCCN3)CC1 ZINC000665700046 482549241 /nfs/dbraw/zinc/54/92/41/482549241.db2.gz NOZHFQFQTMHKAA-UHFFFAOYSA-N 2 2 289.383 1.733 20 30 CDEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]cnc3c2OCCN3)CC1 ZINC000665700046 482549246 /nfs/dbraw/zinc/54/92/46/482549246.db2.gz NOZHFQFQTMHKAA-UHFFFAOYSA-N 2 2 289.383 1.733 20 30 CDEDLP C[NH+]1CCN(c2ncc(C=[NH+]OC3CCCC3)cn2)CC1 ZINC000774607869 575219231 /nfs/dbraw/zinc/21/92/31/575219231.db2.gz LKTGHBJMWXFDNA-UHFFFAOYSA-N 2 2 289.383 1.522 20 30 CDEDLP CC(C)[N@H+]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)[C@H](C)C1 ZINC000753934311 576867065 /nfs/dbraw/zinc/86/70/65/576867065.db2.gz IIQMDICYNHPVCD-AGIUHOORSA-N 2 2 277.416 1.563 20 30 CDEDLP CC(C)[N@@H+]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)[C@H](C)C1 ZINC000753934311 576867067 /nfs/dbraw/zinc/86/70/67/576867067.db2.gz IIQMDICYNHPVCD-AGIUHOORSA-N 2 2 277.416 1.563 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2C(C)C)CC1 ZINC000748818058 576927163 /nfs/dbraw/zinc/92/71/63/576927163.db2.gz SWLPBXPXCGSNDC-INIZCTEOSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C(C)C)CC1 ZINC000748818058 576927164 /nfs/dbraw/zinc/92/71/64/576927164.db2.gz SWLPBXPXCGSNDC-INIZCTEOSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000969491785 612965521 /nfs/dbraw/zinc/96/55/21/612965521.db2.gz UYIWEMMNNWTUOY-OAHLLOKOSA-N 2 2 294.358 1.310 20 30 CDEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981222534 612972443 /nfs/dbraw/zinc/97/24/43/612972443.db2.gz COGKDCNRYMKHLU-UONOGXRCSA-N 2 2 296.374 1.598 20 30 CDEDLP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966913734 613219637 /nfs/dbraw/zinc/21/96/37/613219637.db2.gz KFYXUUUSDLCTQD-MLGOLLRUSA-N 2 2 296.374 1.636 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966913734 613219638 /nfs/dbraw/zinc/21/96/38/613219638.db2.gz KFYXUUUSDLCTQD-MLGOLLRUSA-N 2 2 296.374 1.636 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943765324 613328026 /nfs/dbraw/zinc/32/80/26/613328026.db2.gz BTNXCDOXJSJSFK-QWHCGFSZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943765324 613328027 /nfs/dbraw/zinc/32/80/27/613328027.db2.gz BTNXCDOXJSJSFK-QWHCGFSZSA-N 2 2 276.384 1.355 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939622485 613386808 /nfs/dbraw/zinc/38/68/08/613386808.db2.gz LNJKVRWYBYGCTC-ZANVPECISA-N 2 2 296.802 1.450 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000957757536 613708400 /nfs/dbraw/zinc/70/84/00/613708400.db2.gz DBOOJECHGQZIJV-KBPBESRZSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948738814 613711112 /nfs/dbraw/zinc/71/11/12/613711112.db2.gz NQGPAOBHUMDUEW-OAHLLOKOSA-N 2 2 279.428 1.295 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948738814 613711115 /nfs/dbraw/zinc/71/11/15/613711115.db2.gz NQGPAOBHUMDUEW-OAHLLOKOSA-N 2 2 279.428 1.295 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028814239 1160074263 /nfs/dbraw/zinc/07/42/63/1160074263.db2.gz XZXBXISGJGLMGR-BFHYXJOUSA-N 2 2 288.395 1.148 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028814239 1160074272 /nfs/dbraw/zinc/07/42/72/1160074272.db2.gz XZXBXISGJGLMGR-BFHYXJOUSA-N 2 2 288.395 1.148 20 30 CDEDLP C=CCC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132029095 1163152172 /nfs/dbraw/zinc/15/21/72/1163152172.db2.gz GSDPPPDVVUJNNI-UONOGXRCSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132029095 1163152175 /nfs/dbraw/zinc/15/21/75/1163152175.db2.gz GSDPPPDVVUJNNI-UONOGXRCSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001030339452 1161002421 /nfs/dbraw/zinc/00/24/21/1161002421.db2.gz UOZTUFNUWYJGQM-UONOGXRCSA-N 2 2 265.401 1.093 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001030339452 1161002430 /nfs/dbraw/zinc/00/24/30/1161002430.db2.gz UOZTUFNUWYJGQM-UONOGXRCSA-N 2 2 265.401 1.093 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113439828 1162175859 /nfs/dbraw/zinc/17/58/59/1162175859.db2.gz WZNWXEAWLBYNST-OAHLLOKOSA-N 2 2 281.444 1.683 20 30 CDEDLP C#CC[N@@H+](CC#CC)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001574631667 1170995885 /nfs/dbraw/zinc/99/58/85/1170995885.db2.gz BWIGRRPJFHZWPL-UHFFFAOYSA-N 2 2 271.364 1.148 20 30 CDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001713834788 1178784768 /nfs/dbraw/zinc/78/47/68/1178784768.db2.gz HJSXLXVTPBTKSS-GXTWGEPZSA-N 2 2 290.411 1.806 20 30 CDEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001713834788 1178784771 /nfs/dbraw/zinc/78/47/71/1178784771.db2.gz HJSXLXVTPBTKSS-GXTWGEPZSA-N 2 2 290.411 1.806 20 30 CDEDLP C#CC[N@@H+](CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001752284049 1184846969 /nfs/dbraw/zinc/84/69/69/1184846969.db2.gz XPFQFGCVXUVFRN-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CC[N@H+](CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001752284049 1184846974 /nfs/dbraw/zinc/84/69/74/1184846974.db2.gz XPFQFGCVXUVFRN-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CC[N@@H+](CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001752284049 1184846981 /nfs/dbraw/zinc/84/69/81/1184846981.db2.gz XPFQFGCVXUVFRN-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C#CC[N@H+](CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001752284049 1184846987 /nfs/dbraw/zinc/84/69/87/1184846987.db2.gz XPFQFGCVXUVFRN-ZDUSSCGKSA-N 2 2 288.395 1.192 20 30 CDEDLP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001752881985 1184949275 /nfs/dbraw/zinc/94/92/75/1184949275.db2.gz LHNOLBDNORWDGQ-ZIAGYGMSSA-N 2 2 290.411 1.506 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753340088 1185161464 /nfs/dbraw/zinc/16/14/64/1185161464.db2.gz XCKUQRHXPCOZJE-AWEZNQCLSA-N 2 2 290.411 1.665 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753340088 1185161469 /nfs/dbraw/zinc/16/14/69/1185161469.db2.gz XCKUQRHXPCOZJE-AWEZNQCLSA-N 2 2 290.411 1.665 20 30 CDEDLP C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001754444216 1185620577 /nfs/dbraw/zinc/62/05/77/1185620577.db2.gz JRBLCNZUUYVLFX-CQSZACIVSA-N 2 2 290.411 1.597 20 30 CDEDLP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001754803191 1185735011 /nfs/dbraw/zinc/73/50/11/1185735011.db2.gz LHLBHOAKADMNIL-KGLIPLIRSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000999684351 813381534 /nfs/dbraw/zinc/38/15/34/813381534.db2.gz SUFNNEXLFLDQBE-CYBMUJFWSA-N 2 2 284.363 1.715 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001054795438 813821599 /nfs/dbraw/zinc/82/15/99/813821599.db2.gz XJOLPGKZCDIZEE-GXTWGEPZSA-N 2 2 289.379 1.255 20 30 CDEDLP C=CCC[NH+]1CC(N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001044194451 814344785 /nfs/dbraw/zinc/34/47/85/814344785.db2.gz IWXLCQTZFASNMI-UHFFFAOYSA-N 2 2 288.395 1.480 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075613813 805061789 /nfs/dbraw/zinc/06/17/89/805061789.db2.gz QTHBTHHERAZGFX-BFHYXJOUSA-N 2 2 297.830 1.366 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075613813 805061801 /nfs/dbraw/zinc/06/18/01/805061801.db2.gz QTHBTHHERAZGFX-BFHYXJOUSA-N 2 2 297.830 1.366 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613813 805061817 /nfs/dbraw/zinc/06/18/17/805061817.db2.gz QTHBTHHERAZGFX-BFHYXJOUSA-N 2 2 297.830 1.366 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613813 805061829 /nfs/dbraw/zinc/06/18/29/805061829.db2.gz QTHBTHHERAZGFX-BFHYXJOUSA-N 2 2 297.830 1.366 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001044822811 805076253 /nfs/dbraw/zinc/07/62/53/805076253.db2.gz KJXWRLXFCGWFAT-QWHCGFSZSA-N 2 2 276.384 1.118 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001019721841 805271903 /nfs/dbraw/zinc/27/19/03/805271903.db2.gz WXLMQIAWLYJIKU-ZDUSSCGKSA-N 2 2 276.384 1.119 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC000993510188 811677576 /nfs/dbraw/zinc/67/75/76/811677576.db2.gz TXHBNJFODCIYEE-GXTWGEPZSA-N 2 2 296.374 1.779 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC000993510188 811677608 /nfs/dbraw/zinc/67/76/08/811677608.db2.gz TXHBNJFODCIYEE-GXTWGEPZSA-N 2 2 296.374 1.779 20 30 CDEDLP C#CC[N@@H+](C)CCCNCc1c[nH+]ccc1N(C)C ZINC000821213655 811784274 /nfs/dbraw/zinc/78/42/74/811784274.db2.gz NLZMHSLSSIWRIZ-UHFFFAOYSA-N 2 2 260.385 1.192 20 30 CDEDLP C#CC[N@H+](C)CCCNCc1c[nH+]ccc1N(C)C ZINC000821213655 811784293 /nfs/dbraw/zinc/78/42/93/811784293.db2.gz NLZMHSLSSIWRIZ-UHFFFAOYSA-N 2 2 260.385 1.192 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038921895 811802549 /nfs/dbraw/zinc/80/25/49/811802549.db2.gz MRBLCVPOFNVFCF-GFCCVEGCSA-N 2 2 274.368 1.138 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038921895 811802553 /nfs/dbraw/zinc/80/25/53/811802553.db2.gz MRBLCVPOFNVFCF-GFCCVEGCSA-N 2 2 274.368 1.138 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001014899955 811869677 /nfs/dbraw/zinc/86/96/77/811869677.db2.gz BESAUYBUDLQQIE-AWEZNQCLSA-N 2 2 290.411 1.693 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001014899955 811869679 /nfs/dbraw/zinc/86/96/79/811869679.db2.gz BESAUYBUDLQQIE-AWEZNQCLSA-N 2 2 290.411 1.693 20 30 CDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC000986543208 812385529 /nfs/dbraw/zinc/38/55/29/812385529.db2.gz IFPAXZYBJGJUME-CHWSQXEVSA-N 2 2 282.347 1.160 20 30 CDEDLP C=CCC[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031773715 812838210 /nfs/dbraw/zinc/83/82/10/812838210.db2.gz YTWXOTUJJXUNKQ-UHFFFAOYSA-N 2 2 284.363 1.801 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001042091589 812957488 /nfs/dbraw/zinc/95/74/88/812957488.db2.gz WMRKLGXQQIKAGK-ZFWWWQNUSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001042091589 812957515 /nfs/dbraw/zinc/95/75/15/812957515.db2.gz WMRKLGXQQIKAGK-ZFWWWQNUSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042091589 812957530 /nfs/dbraw/zinc/95/75/30/812957530.db2.gz WMRKLGXQQIKAGK-ZFWWWQNUSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042091589 812957548 /nfs/dbraw/zinc/95/75/48/812957548.db2.gz WMRKLGXQQIKAGK-ZFWWWQNUSA-N 2 2 288.395 1.451 20 30 CDEDLP N#CC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878016249 813110795 /nfs/dbraw/zinc/11/07/95/813110795.db2.gz KIHLARVIVFZQCF-SFHVURJKSA-N 2 2 299.418 1.859 20 30 CDEDLP N#CC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878016249 813110814 /nfs/dbraw/zinc/11/08/14/813110814.db2.gz KIHLARVIVFZQCF-SFHVURJKSA-N 2 2 299.418 1.859 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999550983 813212820 /nfs/dbraw/zinc/21/28/20/813212820.db2.gz XKXVPTMAIOPZER-UONOGXRCSA-N 2 2 288.395 1.212 20 30 CDEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989662133 813853490 /nfs/dbraw/zinc/85/34/90/813853490.db2.gz PTCFZMMIDKYLJT-ZDUSSCGKSA-N 2 2 285.819 1.225 20 30 CDEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989662133 813853491 /nfs/dbraw/zinc/85/34/91/813853491.db2.gz PTCFZMMIDKYLJT-ZDUSSCGKSA-N 2 2 285.819 1.225 20 30 CDEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989662133 813853493 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20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420343 813977367 /nfs/dbraw/zinc/97/73/67/813977367.db2.gz ODCNYRQNRJLMLL-GXTWGEPZSA-N 2 2 299.846 1.613 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](Nc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000884610634 814093320 /nfs/dbraw/zinc/09/33/20/814093320.db2.gz REJANUGTYZCVKM-GFCCVEGCSA-N 2 2 285.395 1.447 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000884610634 814093329 /nfs/dbraw/zinc/09/33/29/814093329.db2.gz REJANUGTYZCVKM-GFCCVEGCSA-N 2 2 285.395 1.447 20 30 CDEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000844172715 814136327 /nfs/dbraw/zinc/13/63/27/814136327.db2.gz WKPJVEXHPKCUFP-CHWSQXEVSA-N 2 2 291.399 1.435 20 30 CDEDLP Cc1ccnc(NCC[NH+]2CCC([NH3+])CC2)c1C#N ZINC000721859032 814180299 /nfs/dbraw/zinc/18/02/99/814180299.db2.gz KVJDMMDICHFCIY-UHFFFAOYSA-N 2 2 259.357 1.097 20 30 CDEDLP C#CCCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206712 814189437 /nfs/dbraw/zinc/18/94/37/814189437.db2.gz JIUNYQXORKBKKL-HNNXBMFYSA-N 2 2 250.386 1.633 20 30 CDEDLP C#CCCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206712 814189444 /nfs/dbraw/zinc/18/94/44/814189444.db2.gz JIUNYQXORKBKKL-HNNXBMFYSA-N 2 2 250.386 1.633 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052864902 814331215 /nfs/dbraw/zinc/33/12/15/814331215.db2.gz AEIMFQJNHMEQOE-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052864902 814331222 /nfs/dbraw/zinc/33/12/22/814331222.db2.gz AEIMFQJNHMEQOE-AWEZNQCLSA-N 2 2 290.411 1.509 20 30 CDEDLP C=C(Br)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000808781939 814337781 /nfs/dbraw/zinc/33/77/81/814337781.db2.gz YMFOKPCESIETFU-UHFFFAOYSA-N 2 2 292.265 1.710 20 30 CDEDLP C=C(Br)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000808781939 814337774 /nfs/dbraw/zinc/33/77/74/814337774.db2.gz YMFOKPCESIETFU-UHFFFAOYSA-N 2 2 292.265 1.710 20 30 CDEDLP C=CC[N@@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000985549738 816892159 /nfs/dbraw/zinc/89/21/59/816892159.db2.gz IVWSUJXDHOPVGF-UHFFFAOYSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CC[N@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000985549738 816892162 /nfs/dbraw/zinc/89/21/62/816892162.db2.gz IVWSUJXDHOPVGF-UHFFFAOYSA-N 2 2 290.411 1.462 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001032499507 816913910 /nfs/dbraw/zinc/91/39/10/816913910.db2.gz AOGAYWBLACXVSQ-GJZGRUSLSA-N 2 2 282.347 1.419 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001032499507 816913917 /nfs/dbraw/zinc/91/39/17/816913917.db2.gz AOGAYWBLACXVSQ-GJZGRUSLSA-N 2 2 282.347 1.419 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994298047 817153694 /nfs/dbraw/zinc/15/36/94/817153694.db2.gz KKVVZSRLDZZNRL-UONOGXRCSA-N 2 2 290.411 1.806 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994298047 817153714 /nfs/dbraw/zinc/15/37/14/817153714.db2.gz KKVVZSRLDZZNRL-UONOGXRCSA-N 2 2 290.411 1.806 20 30 CDEDLP C#CCC[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000796516073 817254271 /nfs/dbraw/zinc/25/42/71/817254271.db2.gz QMCFDZINMMGQHQ-UHFFFAOYSA-N 2 2 268.401 1.069 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001019514679 817389023 /nfs/dbraw/zinc/38/90/23/817389023.db2.gz VBBKJLGSDJJTAK-AWEZNQCLSA-N 2 2 298.390 1.562 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038415632 817743954 /nfs/dbraw/zinc/74/39/54/817743954.db2.gz GCEGVTCARXYUNI-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038415632 817743960 /nfs/dbraw/zinc/74/39/60/817743960.db2.gz GCEGVTCARXYUNI-KBPBESRZSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC001087847799 905904935 /nfs/dbraw/zinc/90/49/35/905904935.db2.gz RQYFKPAZDRJQJC-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC001087847799 905904950 /nfs/dbraw/zinc/90/49/50/905904950.db2.gz RQYFKPAZDRJQJC-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C[C@]1([NH3+])CC[N@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001204783273 906394986 /nfs/dbraw/zinc/39/49/86/906394986.db2.gz QKMMMAHUINJUJP-HNNXBMFYSA-N 2 2 254.337 1.963 20 30 CDEDLP C[C@]1([NH3+])CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001204783273 906395007 /nfs/dbraw/zinc/39/50/07/906395007.db2.gz QKMMMAHUINJUJP-HNNXBMFYSA-N 2 2 254.337 1.963 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989489361 908909389 /nfs/dbraw/zinc/90/93/89/908909389.db2.gz XJAOMZGUXFTTIE-ZYHUDNBSSA-N 2 2 282.775 1.284 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001483348165 910943948 /nfs/dbraw/zinc/94/39/48/910943948.db2.gz UFQAJSKUIGFWTI-LBPRGKRZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001483348165 910943956 /nfs/dbraw/zinc/94/39/56/910943956.db2.gz UFQAJSKUIGFWTI-LBPRGKRZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001483348165 910943970 /nfs/dbraw/zinc/94/39/70/910943970.db2.gz UFQAJSKUIGFWTI-LBPRGKRZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001483348165 910943985 /nfs/dbraw/zinc/94/39/85/910943985.db2.gz UFQAJSKUIGFWTI-LBPRGKRZSA-N 2 2 287.835 1.660 20 30 CDEDLP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031784656 915858954 /nfs/dbraw/zinc/85/89/54/915858954.db2.gz XHVLZZQCZRUKHG-CQSZACIVSA-N 2 2 288.395 1.070 20 30 CDEDLP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC000996521484 918279644 /nfs/dbraw/zinc/27/96/44/918279644.db2.gz WJAGWNRXFQJDKK-ZDUSSCGKSA-N 2 2 288.395 1.147 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000392920233 936668021 /nfs/dbraw/zinc/66/80/21/936668021.db2.gz DITGAXINUICSRX-UHFFFAOYSA-N 2 2 270.327 1.193 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000392920233 936668022 /nfs/dbraw/zinc/66/80/22/936668022.db2.gz DITGAXINUICSRX-UHFFFAOYSA-N 2 2 270.327 1.193 20 30 CDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001072029818 936697222 /nfs/dbraw/zinc/69/72/22/936697222.db2.gz KCXGMKPDQJSORE-TZMCWYRMSA-N 2 2 288.395 1.253 20 30 CDEDLP CC#CC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001072029818 936697223 /nfs/dbraw/zinc/69/72/23/936697223.db2.gz KCXGMKPDQJSORE-TZMCWYRMSA-N 2 2 288.395 1.253 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001074955202 936742042 /nfs/dbraw/zinc/74/20/42/936742042.db2.gz YLZYEWMLOGJHKU-IPYPFGDCSA-N 2 2 290.411 1.743 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001074955202 936742044 /nfs/dbraw/zinc/74/20/44/936742044.db2.gz YLZYEWMLOGJHKU-IPYPFGDCSA-N 2 2 290.411 1.743 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047665 923404179 /nfs/dbraw/zinc/40/41/79/923404179.db2.gz IRSXQDXPSSUBTD-GFCCVEGCSA-N 2 2 262.357 1.061 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047665 923404185 /nfs/dbraw/zinc/40/41/85/923404185.db2.gz IRSXQDXPSSUBTD-GFCCVEGCSA-N 2 2 262.357 1.061 20 30 CDEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006059620 923774066 /nfs/dbraw/zinc/77/40/66/923774066.db2.gz IVUOYHRXUDTXOC-UHFFFAOYSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001082572509 924959751 /nfs/dbraw/zinc/95/97/51/924959751.db2.gz GRECZEJNXKKKLR-RGCMKSIDSA-N 2 2 288.395 1.526 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001082572509 924959759 /nfs/dbraw/zinc/95/97/59/924959759.db2.gz GRECZEJNXKKKLR-RGCMKSIDSA-N 2 2 288.395 1.526 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085231666 925825935 /nfs/dbraw/zinc/82/59/35/925825935.db2.gz MDTRNAOUJNIRDF-AAVRWANBSA-N 2 2 288.395 1.716 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085231666 925825943 /nfs/dbraw/zinc/82/59/43/925825943.db2.gz MDTRNAOUJNIRDF-AAVRWANBSA-N 2 2 288.395 1.716 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615619 937069137 /nfs/dbraw/zinc/06/91/37/937069137.db2.gz JHLIWCRMPNCSLJ-ZIAGYGMSSA-N 2 2 276.384 1.143 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615619 937069138 /nfs/dbraw/zinc/06/91/38/937069138.db2.gz JHLIWCRMPNCSLJ-ZIAGYGMSSA-N 2 2 276.384 1.143 20 30 CDEDLP C=CCN1CCC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1=O ZINC001169239212 927874241 /nfs/dbraw/zinc/87/42/41/927874241.db2.gz RTOHWIUCRJWXRL-CQSZACIVSA-N 2 2 265.401 1.237 20 30 CDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109218684 928840162 /nfs/dbraw/zinc/84/01/62/928840162.db2.gz RITSHAPUODJEEC-RDBSUJKOSA-N 2 2 288.395 1.640 20 30 CDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109218684 928840169 /nfs/dbraw/zinc/84/01/69/928840169.db2.gz RITSHAPUODJEEC-RDBSUJKOSA-N 2 2 288.395 1.640 20 30 CDEDLP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883392339 930193068 /nfs/dbraw/zinc/19/30/68/930193068.db2.gz FSVLRAQHJYYWEZ-GJZGRUSLSA-N 2 2 268.401 1.156 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135575841 930275435 /nfs/dbraw/zinc/27/54/35/930275435.db2.gz MBCXFKGMOXHMCD-MNOVXSKESA-N 2 2 284.791 1.578 20 30 CDEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032249 930610981 /nfs/dbraw/zinc/61/09/81/930610981.db2.gz YAYDOUOJKUPZEE-VXGBXAGGSA-N 2 2 278.400 1.710 20 30 CDEDLP N#CC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930456390 933378766 /nfs/dbraw/zinc/37/87/66/933378766.db2.gz GFMMKEPAKSPVHL-QZTJIDSGSA-N 2 2 299.418 1.859 20 30 CDEDLP N#CC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930456390 933378777 /nfs/dbraw/zinc/37/87/77/933378777.db2.gz GFMMKEPAKSPVHL-QZTJIDSGSA-N 2 2 299.418 1.859 20 30 CDEDLP N#CC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930456390 933378787 /nfs/dbraw/zinc/37/87/87/933378787.db2.gz GFMMKEPAKSPVHL-QZTJIDSGSA-N 2 2 299.418 1.859 20 30 CDEDLP N#CC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930456390 933378796 /nfs/dbraw/zinc/37/87/96/933378796.db2.gz GFMMKEPAKSPVHL-QZTJIDSGSA-N 2 2 299.418 1.859 20 30 CDEDLP C=C(C)CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001120604293 937816615 /nfs/dbraw/zinc/81/66/15/937816615.db2.gz HDVRXQWQYXNKEC-UHFFFAOYSA-N 2 2 281.444 1.827 20 30 CDEDLP C=C(C)CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001120604293 937816617 /nfs/dbraw/zinc/81/66/17/937816617.db2.gz HDVRXQWQYXNKEC-UHFFFAOYSA-N 2 2 281.444 1.827 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008404096 935402692 /nfs/dbraw/zinc/40/26/92/935402692.db2.gz HCOPXFPGYSASJZ-CQSZACIVSA-N 2 2 299.846 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008404096 935402694 /nfs/dbraw/zinc/40/26/94/935402694.db2.gz HCOPXFPGYSASJZ-CQSZACIVSA-N 2 2 299.846 1.661 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001014780659 935550840 /nfs/dbraw/zinc/55/08/40/935550840.db2.gz URUNNEBHAUUKQQ-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001014780659 935550843 /nfs/dbraw/zinc/55/08/43/935550843.db2.gz URUNNEBHAUUKQQ-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001014780659 935550847 /nfs/dbraw/zinc/55/08/47/935550847.db2.gz URUNNEBHAUUKQQ-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001014780659 935550851 /nfs/dbraw/zinc/55/08/51/935550851.db2.gz URUNNEBHAUUKQQ-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001019707730 935714579 /nfs/dbraw/zinc/71/45/79/935714579.db2.gz SNUGDBGHNGJQSV-NSHDSACASA-N 2 2 282.775 1.204 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415794 935743013 /nfs/dbraw/zinc/74/30/13/935743013.db2.gz KNBMEVFTMSOPKM-ZDUSSCGKSA-N 2 2 284.363 1.943 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415794 935743015 /nfs/dbraw/zinc/74/30/15/935743015.db2.gz KNBMEVFTMSOPKM-ZDUSSCGKSA-N 2 2 284.363 1.943 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476786 935776520 /nfs/dbraw/zinc/77/65/20/935776520.db2.gz NPYUXWMXHKYTND-CABCVRRESA-N 2 2 288.395 1.525 20 30 CDEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476786 935776522 /nfs/dbraw/zinc/77/65/22/935776522.db2.gz NPYUXWMXHKYTND-CABCVRRESA-N 2 2 288.395 1.525 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001043870820 935844785 /nfs/dbraw/zinc/84/47/85/935844785.db2.gz XNNOLNFKLZXFDO-CYBMUJFWSA-N 2 2 265.401 1.189 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043870820 935844790 /nfs/dbraw/zinc/84/47/90/935844790.db2.gz XNNOLNFKLZXFDO-CYBMUJFWSA-N 2 2 265.401 1.189 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001044581199 935865143 /nfs/dbraw/zinc/86/51/43/935865143.db2.gz RYOXHAWDKCZMMO-QWHCGFSZSA-N 2 2 276.384 1.497 20 30 CDEDLP N#Cc1c(Cl)ccnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160512539 938792748 /nfs/dbraw/zinc/79/27/48/938792748.db2.gz WUZYHPCWPUGDCJ-AWEZNQCLSA-N 2 2 291.786 1.442 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208365971 940325748 /nfs/dbraw/zinc/32/57/48/940325748.db2.gz UQPBRDZDJXGWJG-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365971 940325752 /nfs/dbraw/zinc/32/57/52/940325752.db2.gz UQPBRDZDJXGWJG-MGPQQGTHSA-N 2 2 288.395 1.670 20 30 CDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210282892 940678408 /nfs/dbraw/zinc/67/84/08/940678408.db2.gz FBWORYLMTRRJLK-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210282892 940678409 /nfs/dbraw/zinc/67/84/09/940678409.db2.gz FBWORYLMTRRJLK-UKRRQHHQSA-N 2 2 290.411 1.365 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210667013 940704863 /nfs/dbraw/zinc/70/48/63/940704863.db2.gz CCVJLJMWJCHAFC-CYBMUJFWSA-N 2 2 288.395 1.291 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215269087 940869448 /nfs/dbraw/zinc/86/94/48/940869448.db2.gz LDVJYSYAXLBKGE-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP N#Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1F ZINC000404621836 940966514 /nfs/dbraw/zinc/96/65/14/940966514.db2.gz XZLVUJNDVRCHBD-UNPMEBSKSA-N 2 2 271.339 1.783 20 30 CDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216974210 940972450 /nfs/dbraw/zinc/97/24/50/940972450.db2.gz DMEWCOVXCMLXCN-HUUCEWRRSA-N 2 2 288.395 1.123 20 30 CDEDLP CC(C)C[C@@](C)(C#N)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001221292241 941513390 /nfs/dbraw/zinc/51/33/90/941513390.db2.gz HZKZFZGSVSLBRR-ZBFHGGJFSA-N 2 2 288.395 1.703 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099585 941565194 /nfs/dbraw/zinc/56/51/94/941565194.db2.gz YRYGAZNRYJKBMM-CYBMUJFWSA-N 2 2 262.357 1.040 20 30 CDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1Cl ZINC001235996937 944364215 /nfs/dbraw/zinc/36/42/15/944364215.db2.gz CELRPNXBAWZDSN-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1Cl ZINC001235996937 944364224 /nfs/dbraw/zinc/36/42/24/944364224.db2.gz CELRPNXBAWZDSN-NNQSOWQGSA-N 2 2 291.782 1.617 20 30 CDEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246029873 947908953 /nfs/dbraw/zinc/90/89/53/947908953.db2.gz DDOFQFBYLHHDGA-HUUCEWRRSA-N 2 2 272.433 1.364 20 30 CDEDLP CCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246029873 947908963 /nfs/dbraw/zinc/90/89/63/947908963.db2.gz DDOFQFBYLHHDGA-HUUCEWRRSA-N 2 2 272.433 1.364 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480299127 971663026 /nfs/dbraw/zinc/66/30/26/971663026.db2.gz ZACLEYXCGOSHAJ-GFCCVEGCSA-N 2 2 296.802 1.533 20 30 CDEDLP C=C[C@](C)(O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252571312 951464520 /nfs/dbraw/zinc/46/45/20/951464520.db2.gz HQRXDEUKYSPSIO-HNNXBMFYSA-N 2 2 257.337 1.899 20 30 CDEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC001253394691 951876729 /nfs/dbraw/zinc/87/67/29/951876729.db2.gz RIVHPWBZAANGJN-GFCCVEGCSA-N 2 2 253.390 1.361 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001324179668 961215307 /nfs/dbraw/zinc/21/53/07/961215307.db2.gz CDHHKQYITOAYAA-CQSZACIVSA-N 2 2 289.379 1.399 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001441424918 964509861 /nfs/dbraw/zinc/50/98/61/964509861.db2.gz RUCSLLPKXODCCB-JHJVBQTASA-N 2 2 296.802 1.824 20 30 CDEDLP C=CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OCC ZINC001352023360 967066471 /nfs/dbraw/zinc/06/64/71/967066471.db2.gz VAFDWHZKQZENJG-CYBMUJFWSA-N 2 2 254.374 1.426 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001372567033 973022217 /nfs/dbraw/zinc/02/22/17/973022217.db2.gz KMMSKGOSWJOENT-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001372567033 973022228 /nfs/dbraw/zinc/02/22/28/973022228.db2.gz KMMSKGOSWJOENT-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001372567033 973022234 /nfs/dbraw/zinc/02/22/34/973022234.db2.gz KMMSKGOSWJOENT-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001372567033 973022244 /nfs/dbraw/zinc/02/22/44/973022244.db2.gz KMMSKGOSWJOENT-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C#CCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221147 1163202809 /nfs/dbraw/zinc/20/28/09/1163202809.db2.gz CLBFSKPEDHWQFA-HUUCEWRRSA-N 2 2 288.395 1.266 20 30 CDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221147 1163202813 /nfs/dbraw/zinc/20/28/13/1163202813.db2.gz CLBFSKPEDHWQFA-HUUCEWRRSA-N 2 2 288.395 1.266 20 30 CDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021121 1163535295 /nfs/dbraw/zinc/53/52/95/1163535295.db2.gz JGWKEZDJTKPMSH-CABCVRRESA-N 2 2 290.411 1.533 20 30 CDEDLP Cn1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000289866560 361861490 /nfs/dbraw/zinc/86/14/90/361861490.db2.gz QZVFKWSADLJAID-UHFFFAOYSA-N 2 2 297.406 1.856 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000573413673 361873923 /nfs/dbraw/zinc/87/39/23/361873923.db2.gz SDQLRFWSACMEJO-UHFFFAOYSA-N 2 2 285.326 1.743 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000595471666 343072627 /nfs/dbraw/zinc/07/26/27/343072627.db2.gz CNKJYHZNMYUUOE-BZUAXINKSA-N 2 2 277.412 1.865 20 30 CDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000595471666 343072630 /nfs/dbraw/zinc/07/26/30/343072630.db2.gz CNKJYHZNMYUUOE-BZUAXINKSA-N 2 2 277.412 1.865 20 30 CDEDLP N#Cc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000596649246 343370743 /nfs/dbraw/zinc/37/07/43/343370743.db2.gz DDVSUSWSRFDHLW-DLBZAZTESA-N 2 2 285.391 1.457 20 30 CDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc(C#N)cc1 ZINC000596653293 343371944 /nfs/dbraw/zinc/37/19/44/343371944.db2.gz ZTZPVTGUKBZVMR-CJNGLKHVSA-N 2 2 273.380 1.457 20 30 CDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000619717271 349867835 /nfs/dbraw/zinc/86/78/35/349867835.db2.gz RSAAMKAWZTZYNV-AWEZNQCLSA-N 2 2 268.401 1.766 20 30 CDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000619717271 349867837 /nfs/dbraw/zinc/86/78/37/349867837.db2.gz RSAAMKAWZTZYNV-AWEZNQCLSA-N 2 2 268.401 1.766 20 30 CDEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000449136752 362627860 /nfs/dbraw/zinc/62/78/60/362627860.db2.gz CEAYQFVNVQTNIN-LSDHHAIUSA-N 2 2 253.434 1.957 20 30 CDEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000449136752 362627867 /nfs/dbraw/zinc/62/78/67/362627867.db2.gz CEAYQFVNVQTNIN-LSDHHAIUSA-N 2 2 253.434 1.957 20 30 CDEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000399322380 345860506 /nfs/dbraw/zinc/86/05/06/345860506.db2.gz KEXDOLRZEAKFGZ-CQSZACIVSA-N 2 2 253.390 1.315 20 30 CDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000399322380 345860508 /nfs/dbraw/zinc/86/05/08/345860508.db2.gz KEXDOLRZEAKFGZ-CQSZACIVSA-N 2 2 253.390 1.315 20 30 CDEDLP C=CCC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449696312 362768016 /nfs/dbraw/zinc/76/80/16/362768016.db2.gz HQFNJCWLCCAPFK-QGZVFWFLSA-N 2 2 289.423 1.963 20 30 CDEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CC1)c1cccs1 ZINC000068467058 347564012 /nfs/dbraw/zinc/56/40/12/347564012.db2.gz MIAWCRBEXKSNRN-SNVBAGLBSA-N 2 2 252.387 1.418 20 30 CDEDLP C[C@H](C[NH2+]Cc1cccc(C#N)n1)C[NH+]1CCOCC1 ZINC000602549775 350122432 /nfs/dbraw/zinc/12/24/32/350122432.db2.gz DTPWQKOENSJGCO-CYBMUJFWSA-N 2 2 274.368 1.011 20 30 CDEDLP O[C@H](C[NH2+]CC#Cc1ccccc1)C[NH+]1CCCC1 ZINC000629554374 362981886 /nfs/dbraw/zinc/98/18/86/362981886.db2.gz GEOYLKXDEXSSIO-MRXNPFEDSA-N 2 2 258.365 1.084 20 30 CDEDLP CO[C@H]1C[C@@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)[N@H+](C)C1 ZINC000328937744 538443273 /nfs/dbraw/zinc/44/32/73/538443273.db2.gz JWVYBRQGLIFTTR-STQMWFEESA-N 2 2 288.351 1.950 20 30 CDEDLP CO[C@H]1C[C@@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)[N@@H+](C)C1 ZINC000328937744 538443274 /nfs/dbraw/zinc/44/32/74/538443274.db2.gz JWVYBRQGLIFTTR-STQMWFEESA-N 2 2 288.351 1.950 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C#N ZINC000248829885 367405644 /nfs/dbraw/zinc/40/56/44/367405644.db2.gz IBABFRCJZLLMNF-GOEBONIOSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C#N ZINC000248829885 367405648 /nfs/dbraw/zinc/40/56/48/367405648.db2.gz IBABFRCJZLLMNF-GOEBONIOSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000248829885 367405650 /nfs/dbraw/zinc/40/56/50/367405650.db2.gz IBABFRCJZLLMNF-GOEBONIOSA-N 2 2 272.396 1.813 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N ZINC000248829885 367405652 /nfs/dbraw/zinc/40/56/52/367405652.db2.gz IBABFRCJZLLMNF-GOEBONIOSA-N 2 2 272.396 1.813 20 30 CDEDLP CC[N@H+]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000358197963 373948116 /nfs/dbraw/zinc/94/81/16/373948116.db2.gz YGQDRUOGNZKVHW-BBRMVZONSA-N 2 2 273.380 1.867 20 30 CDEDLP CC[N@@H+]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000358197963 373948125 /nfs/dbraw/zinc/94/81/25/373948125.db2.gz YGQDRUOGNZKVHW-BBRMVZONSA-N 2 2 273.380 1.867 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420357535 376333913 /nfs/dbraw/zinc/33/39/13/376333913.db2.gz ICHFUYLQXWDIDF-OAHLLOKOSA-N 2 2 279.428 1.684 20 30 CDEDLP C[C@@H](CC#N)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)CC#N ZINC000161918414 377791428 /nfs/dbraw/zinc/79/14/28/377791428.db2.gz FQLOJBWAZDOOCJ-KBPBESRZSA-N 2 2 266.389 1.471 20 30 CDEDLP C[C@@H](CC#N)[NH+](C)CCOCC[N@H+](C)[C@@H](C)CC#N ZINC000161918414 377791439 /nfs/dbraw/zinc/79/14/39/377791439.db2.gz FQLOJBWAZDOOCJ-KBPBESRZSA-N 2 2 266.389 1.471 20 30 CDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000104153812 390484659 /nfs/dbraw/zinc/48/46/59/390484659.db2.gz OGISVTDQVOBILN-JSGCOSHPSA-N 2 2 278.400 1.229 20 30 CDEDLP C#CC[NH+]1CCC(c2nc(C3([NH3+])CCC3)no2)CC1 ZINC000491450771 391132166 /nfs/dbraw/zinc/13/21/66/391132166.db2.gz CEGICAUTTAZRPA-UHFFFAOYSA-N 2 2 260.341 1.220 20 30 CDEDLP C#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000369692993 391385716 /nfs/dbraw/zinc/38/57/16/391385716.db2.gz LNSVBEXJXCHBDQ-GOSISDBHSA-N 2 2 284.403 1.822 20 30 CDEDLP C#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000369692993 391385719 /nfs/dbraw/zinc/38/57/19/391385719.db2.gz LNSVBEXJXCHBDQ-GOSISDBHSA-N 2 2 284.403 1.822 20 30 CDEDLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCC#N)CC2)C[C@H](C)O1 ZINC000358877253 391566001 /nfs/dbraw/zinc/56/60/01/391566001.db2.gz VVOWFCXRCJFBCD-GASCZTMLSA-N 2 2 295.427 1.490 20 30 CDEDLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCC#N)CC2)C[C@H](C)O1 ZINC000358877253 391566004 /nfs/dbraw/zinc/56/60/04/391566004.db2.gz VVOWFCXRCJFBCD-GASCZTMLSA-N 2 2 295.427 1.490 20 30 CDEDLP C=CCCO[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360906814 391676344 /nfs/dbraw/zinc/67/63/44/391676344.db2.gz RNHHGZXYUZOIGI-CQSZACIVSA-N 2 2 297.443 1.110 20 30 CDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCS[C@@H](CC)C1 ZINC000262007921 391756144 /nfs/dbraw/zinc/75/61/44/391756144.db2.gz UUYGWRWOIIPJIZ-ZDUSSCGKSA-N 2 2 295.456 1.676 20 30 CDEDLP COCC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000268880298 132082413 /nfs/dbraw/zinc/08/24/13/132082413.db2.gz MMTGPKYCURVJNR-UHFFFAOYSA-N 2 2 291.370 1.898 20 30 CDEDLP C[C@H]([NH3+])CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423226029 397602955 /nfs/dbraw/zinc/60/29/55/397602955.db2.gz PEDJYLFUGUPIEC-AWEZNQCLSA-N 3 2 286.423 1.850 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660660870 413355714 /nfs/dbraw/zinc/35/57/14/413355714.db2.gz AZRCCWJMKDWXSH-ZBFHGGJFSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660660870 413355721 /nfs/dbraw/zinc/35/57/21/413355721.db2.gz AZRCCWJMKDWXSH-ZBFHGGJFSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660660870 413355728 /nfs/dbraw/zinc/35/57/28/413355728.db2.gz AZRCCWJMKDWXSH-ZBFHGGJFSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660660870 413355737 /nfs/dbraw/zinc/35/57/37/413355737.db2.gz AZRCCWJMKDWXSH-ZBFHGGJFSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)COC ZINC000661240378 413913047 /nfs/dbraw/zinc/91/30/47/413913047.db2.gz NSCPQSLKLZJMIT-ZIAGYGMSSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)COC ZINC000661240378 413913052 /nfs/dbraw/zinc/91/30/52/413913052.db2.gz NSCPQSLKLZJMIT-ZIAGYGMSSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)COC ZINC000661240378 413913059 /nfs/dbraw/zinc/91/30/59/413913059.db2.gz NSCPQSLKLZJMIT-ZIAGYGMSSA-N 2 2 258.406 1.210 20 30 CDEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)COC ZINC000661240378 413913068 /nfs/dbraw/zinc/91/30/68/413913068.db2.gz NSCPQSLKLZJMIT-ZIAGYGMSSA-N 2 2 258.406 1.210 20 30 CDEDLP CC[C@@](C)(C#N)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000352843512 287381334 /nfs/dbraw/zinc/38/13/34/287381334.db2.gz PJJKDKVLULZNCF-INIZCTEOSA-N 2 2 294.443 1.411 20 30 CDEDLP CC[C@@](C)(C#N)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000352843512 287381336 /nfs/dbraw/zinc/38/13/36/287381336.db2.gz PJJKDKVLULZNCF-INIZCTEOSA-N 2 2 294.443 1.411 20 30 CDEDLP O=C(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)NC1CC1 ZINC000330164560 228053985 /nfs/dbraw/zinc/05/39/85/228053985.db2.gz WBNAIIXIYQAVDV-UHFFFAOYSA-N 2 2 288.395 1.755 20 30 CDEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000525885708 265032109 /nfs/dbraw/zinc/03/21/09/265032109.db2.gz GTZAKFYFOUGQPA-GFCCVEGCSA-N 2 2 287.367 1.152 20 30 CDEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000525885708 265032110 /nfs/dbraw/zinc/03/21/10/265032110.db2.gz GTZAKFYFOUGQPA-GFCCVEGCSA-N 2 2 287.367 1.152 20 30 CDEDLP C[N@H+](CCCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188311761 329366020 /nfs/dbraw/zinc/36/60/20/329366020.db2.gz JVUZMPVFRPNZIL-QGZVFWFLSA-N 2 2 287.407 1.859 20 30 CDEDLP C[N@@H+](CCCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188311761 329366021 /nfs/dbraw/zinc/36/60/21/329366021.db2.gz JVUZMPVFRPNZIL-QGZVFWFLSA-N 2 2 287.407 1.859 20 30 CDEDLP C[NH+](CCCC#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188311761 329366023 /nfs/dbraw/zinc/36/60/23/329366023.db2.gz JVUZMPVFRPNZIL-QGZVFWFLSA-N 2 2 287.407 1.859 20 30 CDEDLP C[NH+](CCCC#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188311761 329366025 /nfs/dbraw/zinc/36/60/25/329366025.db2.gz JVUZMPVFRPNZIL-QGZVFWFLSA-N 2 2 287.407 1.859 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(CC)(CC)CC)CC1 ZINC000118997978 330368740 /nfs/dbraw/zinc/36/87/40/330368740.db2.gz ZIYJXDQVAHMUOH-UHFFFAOYSA-N 2 2 279.428 1.322 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001754685622 1159419871 /nfs/dbraw/zinc/41/98/71/1159419871.db2.gz OISVXUIXEKJMSC-OAHLLOKOSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001754685622 1159419874 /nfs/dbraw/zinc/41/98/74/1159419874.db2.gz OISVXUIXEKJMSC-OAHLLOKOSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(C)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681660632 482950477 /nfs/dbraw/zinc/95/04/77/482950477.db2.gz ORANOHUCRYOFAP-ZDUSSCGKSA-N 2 2 280.416 1.030 20 30 CDEDLP C=C(C)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681660632 482950480 /nfs/dbraw/zinc/95/04/80/482950480.db2.gz ORANOHUCRYOFAP-ZDUSSCGKSA-N 2 2 280.416 1.030 20 30 CDEDLP CC[NH+]1CCC([N@H+](C)Cc2ccnc(C#N)c2)CC1 ZINC000068766415 521563660 /nfs/dbraw/zinc/56/36/60/521563660.db2.gz JZNFBJQBYPOPIQ-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccnc(C#N)c2)CC1 ZINC000068766415 521563667 /nfs/dbraw/zinc/56/36/67/521563667.db2.gz JZNFBJQBYPOPIQ-UHFFFAOYSA-N 2 2 258.369 1.869 20 30 CDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000729355601 574753744 /nfs/dbraw/zinc/75/37/44/574753744.db2.gz VEKDTQSLYAMIFL-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2CCOCC2)cc1 ZINC000747838988 576886610 /nfs/dbraw/zinc/88/66/10/576886610.db2.gz VNEYUTQMKBQMOI-UHFFFAOYSA-N 2 2 291.395 1.812 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968596850 613015258 /nfs/dbraw/zinc/01/52/58/613015258.db2.gz NFWKPRKUQQJFRO-IUODEOHRSA-N 2 2 288.395 1.111 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968596850 613015260 /nfs/dbraw/zinc/01/52/60/613015260.db2.gz NFWKPRKUQQJFRO-IUODEOHRSA-N 2 2 288.395 1.111 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000950552390 613318636 /nfs/dbraw/zinc/31/86/36/613318636.db2.gz ZBCNLKBAZFECPR-ZDUSSCGKSA-N 2 2 253.390 1.047 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000951192225 613318758 /nfs/dbraw/zinc/31/87/58/613318758.db2.gz CHVFKDZUKUSJFD-INIZCTEOSA-N 2 2 293.455 1.971 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970868967 613371474 /nfs/dbraw/zinc/37/14/74/613371474.db2.gz OTMNIXZOFVQYMI-VXGBXAGGSA-N 2 2 285.819 1.127 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970868967 613371475 /nfs/dbraw/zinc/37/14/75/613371475.db2.gz OTMNIXZOFVQYMI-VXGBXAGGSA-N 2 2 285.819 1.127 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929966 613521671 /nfs/dbraw/zinc/52/16/71/613521671.db2.gz PIJHIOAHDSAADU-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929966 613521673 /nfs/dbraw/zinc/52/16/73/613521673.db2.gz PIJHIOAHDSAADU-ZIAGYGMSSA-N 2 2 290.411 1.508 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971810928 613615839 /nfs/dbraw/zinc/61/58/39/613615839.db2.gz LFIHGWMVTUXCJX-ZIAGYGMSSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971810928 613615841 /nfs/dbraw/zinc/61/58/41/613615841.db2.gz LFIHGWMVTUXCJX-ZIAGYGMSSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981669016 613689316 /nfs/dbraw/zinc/68/93/16/613689316.db2.gz WNODJPLNEISOBA-UHFFFAOYSA-N 2 2 276.384 1.073 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981669016 613689317 /nfs/dbraw/zinc/68/93/17/613689317.db2.gz WNODJPLNEISOBA-UHFFFAOYSA-N 2 2 276.384 1.073 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948752836 613708797 /nfs/dbraw/zinc/70/87/97/613708797.db2.gz SRLUQHJXGAGFRW-OAHLLOKOSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948752836 613708799 /nfs/dbraw/zinc/70/87/99/613708799.db2.gz SRLUQHJXGAGFRW-OAHLLOKOSA-N 2 2 279.428 1.580 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929824 613744293 /nfs/dbraw/zinc/74/42/93/613744293.db2.gz PBIBELGSZBQYFT-CHWSQXEVSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929824 613744294 /nfs/dbraw/zinc/74/42/94/613744294.db2.gz PBIBELGSZBQYFT-CHWSQXEVSA-N 2 2 276.384 1.118 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947976056 613781288 /nfs/dbraw/zinc/78/12/88/613781288.db2.gz SLOLLYDCBFFVPO-AAEUAGOBSA-N 2 2 276.384 1.416 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947976056 613781291 /nfs/dbraw/zinc/78/12/91/613781291.db2.gz SLOLLYDCBFFVPO-AAEUAGOBSA-N 2 2 276.384 1.416 20 30 CDEDLP C[C@H]1C(N=NC2=[NH+]CCN2)CC[N@@H+]1Cc1ccccc1 ZINC000841659269 618097025 /nfs/dbraw/zinc/09/70/25/618097025.db2.gz IMXCBBXSCIQUNK-LBPRGKRZSA-N 2 2 271.368 1.186 20 30 CDEDLP C[C@H]1C(N=NC2=[NH+]CCN2)CC[N@H+]1Cc1ccccc1 ZINC000841659269 618097030 /nfs/dbraw/zinc/09/70/30/618097030.db2.gz IMXCBBXSCIQUNK-LBPRGKRZSA-N 2 2 271.368 1.186 20 30 CDEDLP N#C[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786475 626094167 /nfs/dbraw/zinc/09/41/67/626094167.db2.gz JRKRFMOPQQWMBF-KGLIPLIRSA-N 2 2 263.385 1.381 20 30 CDEDLP N#C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786475 626094170 /nfs/dbraw/zinc/09/41/70/626094170.db2.gz JRKRFMOPQQWMBF-KGLIPLIRSA-N 2 2 263.385 1.381 20 30 CDEDLP C=C(Cl)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266222 1162588030 /nfs/dbraw/zinc/58/80/30/1162588030.db2.gz PITBJWKBJSBDLL-UHFFFAOYSA-N 2 2 278.743 1.635 20 30 CDEDLP CC(C)c1ccc(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203461 1162777160 /nfs/dbraw/zinc/77/71/60/1162777160.db2.gz OBZBNZNXMFQCJK-GFCCVEGCSA-N 2 2 285.351 1.124 20 30 CDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132028736 1163152227 /nfs/dbraw/zinc/15/22/27/1163152227.db2.gz ATWHSIITMKDCOC-ZIAGYGMSSA-N 2 2 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ZINC000923396999 821838998 /nfs/dbraw/zinc/83/89/98/821838998.db2.gz ANLAAZZVKAHLOP-BZUAXINKSA-N 2 2 271.364 1.405 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000303975982 821894707 /nfs/dbraw/zinc/89/47/07/821894707.db2.gz JNBXXQRJBRYPSM-UHFFFAOYSA-N 2 2 261.373 1.754 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592384 821897883 /nfs/dbraw/zinc/89/78/83/821897883.db2.gz GDDAMFNMHFSTDX-CYBMUJFWSA-N 2 2 297.830 1.367 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592384 821897886 /nfs/dbraw/zinc/89/78/86/821897886.db2.gz GDDAMFNMHFSTDX-CYBMUJFWSA-N 2 2 297.830 1.367 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039051264 822337893 /nfs/dbraw/zinc/33/78/93/822337893.db2.gz UYYXSOZLTJPSJV-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039051264 822337907 /nfs/dbraw/zinc/33/79/07/822337907.db2.gz UYYXSOZLTJPSJV-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039051264 822337924 /nfs/dbraw/zinc/33/79/24/822337924.db2.gz UYYXSOZLTJPSJV-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000883131273 822403698 /nfs/dbraw/zinc/40/36/98/822403698.db2.gz TWLGWKJDACKWQK-UHFFFAOYSA-N 2 2 282.391 1.917 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000883131273 822403704 /nfs/dbraw/zinc/40/37/04/822403704.db2.gz TWLGWKJDACKWQK-UHFFFAOYSA-N 2 2 282.391 1.917 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001074693498 822546734 /nfs/dbraw/zinc/54/67/34/822546734.db2.gz CYWYFCDAIQPRQU-DGAVXFQQSA-N 2 2 288.395 1.668 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001074693498 822546751 /nfs/dbraw/zinc/54/67/51/822546751.db2.gz CYWYFCDAIQPRQU-DGAVXFQQSA-N 2 2 288.395 1.668 20 30 CDEDLP Cc1cnc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)c(C#N)c1 ZINC001155373769 1167146031 /nfs/dbraw/zinc/14/60/31/1167146031.db2.gz UUPCFJYZFKKXRR-HNNXBMFYSA-N 2 2 285.395 1.121 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175629854 913697556 /nfs/dbraw/zinc/69/75/56/913697556.db2.gz LYORQXGWJHLPCN-KGLIPLIRSA-N 2 2 290.411 1.486 20 30 CDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175629854 913697566 /nfs/dbraw/zinc/69/75/66/913697566.db2.gz LYORQXGWJHLPCN-KGLIPLIRSA-N 2 2 290.411 1.486 20 30 CDEDLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C#N)n(C)c3)C[C@H]2C1 ZINC001207107830 895568321 /nfs/dbraw/zinc/56/83/21/895568321.db2.gz CHTZUCCAEZMAAA-ZIAGYGMSSA-N 2 2 258.369 1.280 20 30 CDEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829864 914282330 /nfs/dbraw/zinc/28/23/30/914282330.db2.gz SEHRGVABETVNJB-AWEZNQCLSA-N 2 2 278.400 1.724 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116810 918290062 /nfs/dbraw/zinc/29/00/62/918290062.db2.gz TYTIEMFLNOQAAE-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116810 918290072 /nfs/dbraw/zinc/29/00/72/918290072.db2.gz TYTIEMFLNOQAAE-CQSZACIVSA-N 2 2 276.384 1.499 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184273633 918964572 /nfs/dbraw/zinc/96/45/72/918964572.db2.gz LWJOTJGFGXRCLG-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185379115 919562640 /nfs/dbraw/zinc/56/26/40/919562640.db2.gz AFBZHONTJMEEKN-CHWSQXEVSA-N 2 2 276.384 1.212 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999777573 919789086 /nfs/dbraw/zinc/78/90/86/919789086.db2.gz SLTAXQGJMADIGH-CYBMUJFWSA-N 2 2 276.384 1.119 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576781 920085375 /nfs/dbraw/zinc/08/53/75/920085375.db2.gz ZXFSVMQDEZMIKN-GFCCVEGCSA-N 2 2 262.357 1.109 20 30 CDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193461721 923694783 /nfs/dbraw/zinc/69/47/83/923694783.db2.gz JGGFREIJTKJXIQ-ZDUSSCGKSA-N 2 2 288.395 1.243 20 30 CDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193461721 923694790 /nfs/dbraw/zinc/69/47/90/923694790.db2.gz JGGFREIJTKJXIQ-ZDUSSCGKSA-N 2 2 288.395 1.243 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000923558028 923936731 /nfs/dbraw/zinc/93/67/31/923936731.db2.gz PUEZZJZJXOLLAK-ZBFHGGJFSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000923558028 923936735 /nfs/dbraw/zinc/93/67/35/923936735.db2.gz PUEZZJZJXOLLAK-ZBFHGGJFSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000923558028 923936755 /nfs/dbraw/zinc/93/67/55/923936755.db2.gz PUEZZJZJXOLLAK-ZBFHGGJFSA-N 2 2 289.423 1.217 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080419419 924563438 /nfs/dbraw/zinc/56/34/38/924563438.db2.gz WSJUVKNQOUFBNX-MBNYWOFBSA-N 2 2 288.395 1.452 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080419419 924563446 /nfs/dbraw/zinc/56/34/46/924563446.db2.gz WSJUVKNQOUFBNX-MBNYWOFBSA-N 2 2 288.395 1.452 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574290 937148068 /nfs/dbraw/zinc/14/80/68/937148068.db2.gz IUWKNZGBRXXVHS-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574290 937148072 /nfs/dbraw/zinc/14/80/72/937148072.db2.gz IUWKNZGBRXXVHS-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP N#Cc1c[nH]c2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc12 ZINC001169073377 927689998 /nfs/dbraw/zinc/68/99/98/927689998.db2.gz GJYICVVSNCQFCX-LLVKDONJSA-N 2 2 281.319 1.087 20 30 CDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(CCC#N)CC1)C2 ZINC001169141823 927767189 /nfs/dbraw/zinc/76/71/89/927767189.db2.gz SHDBLIKFQJUMAS-QDMKHBRRSA-N 2 2 262.401 1.143 20 30 CDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(CCC#N)CC1)C2 ZINC001169141823 927767198 /nfs/dbraw/zinc/76/71/98/927767198.db2.gz SHDBLIKFQJUMAS-QDMKHBRRSA-N 2 2 262.401 1.143 20 30 CDEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135575774 930274686 /nfs/dbraw/zinc/27/46/86/930274686.db2.gz LHYDGUNISIXUIZ-QWRGUYRKSA-N 2 2 250.346 1.011 20 30 CDEDLP CCCCCCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760299 930402323 /nfs/dbraw/zinc/40/23/23/930402323.db2.gz LFZROUZUFZZROA-UHFFFAOYSA-N 2 2 266.389 1.628 20 30 CDEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772822 932297381 /nfs/dbraw/zinc/29/73/81/932297381.db2.gz UBVJIGBBQSTNMJ-KGLIPLIRSA-N 2 2 278.400 1.722 20 30 CDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155752066 937670244 /nfs/dbraw/zinc/67/02/44/937670244.db2.gz XLCYZOVDWIGBRM-UONOGXRCSA-N 2 2 290.411 1.438 20 30 CDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155752066 937670246 /nfs/dbraw/zinc/67/02/46/937670246.db2.gz XLCYZOVDWIGBRM-UONOGXRCSA-N 2 2 290.411 1.438 20 30 CDEDLP C=CC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001120062867 937777751 /nfs/dbraw/zinc/77/77/51/937777751.db2.gz WEDZILHCRFJGDX-UHFFFAOYSA-N 2 2 290.411 1.855 20 30 CDEDLP Cc1cc(C#N)cc(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001156188208 938331908 /nfs/dbraw/zinc/33/19/08/938331908.db2.gz QHCMOHUYYYQPNA-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076210 939729283 /nfs/dbraw/zinc/72/92/83/939729283.db2.gz LDFVMORVLFTGIX-CQSZACIVSA-N 2 2 290.411 1.818 20 30 CDEDLP CC#CC[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205119551 939824518 /nfs/dbraw/zinc/82/45/18/939824518.db2.gz VOSQKSCJEVPGIE-UHFFFAOYSA-N 2 2 288.395 1.194 20 30 CDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209327156 940461922 /nfs/dbraw/zinc/46/19/22/940461922.db2.gz DHAWPFBIRBPWGN-OUCADQQQSA-N 2 2 276.384 1.211 20 30 CDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209327156 940461924 /nfs/dbraw/zinc/46/19/24/940461924.db2.gz DHAWPFBIRBPWGN-OUCADQQQSA-N 2 2 276.384 1.211 20 30 CDEDLP Cc1[nH]c(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c(C#N)c1C ZINC001218556840 941235863 /nfs/dbraw/zinc/23/58/63/941235863.db2.gz ZTLGKYHACRSKKT-CQSZACIVSA-N 2 2 297.362 1.714 20 30 CDEDLP C[N@H+]1[C@@H]2C[C@@H](Oc3cc(N)[nH+]c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226422198 942001974 /nfs/dbraw/zinc/00/19/74/942001974.db2.gz KEWVJDIYDVYGOX-PKBIGMILSA-N 2 2 297.358 1.808 20 30 CDEDLP C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(N)[nH+]c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226422198 942001977 /nfs/dbraw/zinc/00/19/77/942001977.db2.gz KEWVJDIYDVYGOX-PKBIGMILSA-N 2 2 297.358 1.808 20 30 CDEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001229722951 942517345 /nfs/dbraw/zinc/51/73/45/942517345.db2.gz FLIVAWBVDAJEND-ZDUSSCGKSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230374401 942615414 /nfs/dbraw/zinc/61/54/14/942615414.db2.gz VOFAHCZTSNENGJ-UHFFFAOYSA-N 2 2 287.835 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001230374401 942615418 /nfs/dbraw/zinc/61/54/18/942615418.db2.gz VOFAHCZTSNENGJ-UHFFFAOYSA-N 2 2 287.835 1.660 20 30 CDEDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC001236899596 944610896 /nfs/dbraw/zinc/61/08/96/944610896.db2.gz MNQOMUQDWBMTPW-ZDUSSCGKSA-N 2 2 260.385 1.815 20 30 CDEDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC001236899596 944610900 /nfs/dbraw/zinc/61/09/00/944610900.db2.gz MNQOMUQDWBMTPW-ZDUSSCGKSA-N 2 2 260.385 1.815 20 30 CDEDLP CCOC(=O)C1(C#N)CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254528170 947499692 /nfs/dbraw/zinc/49/96/92/947499692.db2.gz COILBNKLPSLMFA-AWEZNQCLSA-N 2 2 293.411 1.640 20 30 CDEDLP CCOC(=O)C1(C#N)CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254528170 947499695 /nfs/dbraw/zinc/49/96/95/947499695.db2.gz COILBNKLPSLMFA-AWEZNQCLSA-N 2 2 293.411 1.640 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254533586 947511701 /nfs/dbraw/zinc/51/17/01/947511701.db2.gz MUYXOTMZLDKLLX-CYBMUJFWSA-N 2 2 279.384 1.249 20 30 CDEDLP COC(=O)C1(C#N)CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254533586 947511707 /nfs/dbraw/zinc/51/17/07/947511707.db2.gz MUYXOTMZLDKLLX-CYBMUJFWSA-N 2 2 279.384 1.249 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399411 947853316 /nfs/dbraw/zinc/85/33/16/947853316.db2.gz RLGSSJOQTPUFOJ-QZTJIDSGSA-N 2 2 298.434 1.838 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399411 947853322 /nfs/dbraw/zinc/85/33/22/947853322.db2.gz RLGSSJOQTPUFOJ-QZTJIDSGSA-N 2 2 298.434 1.838 20 30 CDEDLP CCCCCCCCCC[C@@H](O)C[NH2+]CC1(O)C[NH2+]C1 ZINC001245989286 947882152 /nfs/dbraw/zinc/88/21/52/947882152.db2.gz FPZJBMLPWDQTBA-OAHLLOKOSA-N 2 2 286.460 1.802 20 30 CDEDLP C#CCCc1[nH]c2ccc(N3CC[NH+](C)CC3)cc2[nH+]1 ZINC001250604868 950268069 /nfs/dbraw/zinc/26/80/69/950268069.db2.gz BNTFVPZJHNRGKZ-UHFFFAOYSA-N 2 2 268.364 1.881 20 30 CDEDLP C=C[C@@](C)(O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001252547237 951434696 /nfs/dbraw/zinc/43/46/96/951434696.db2.gz GLHLEBNRORPGCK-OAHLLOKOSA-N 2 2 276.384 1.182 20 30 CDEDLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001366340105 956756118 /nfs/dbraw/zinc/75/61/18/956756118.db2.gz JJYKASBNSADDAT-GFCCVEGCSA-N 2 2 297.362 1.118 20 30 CDEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001420478079 962954099 /nfs/dbraw/zinc/95/40/99/962954099.db2.gz MWPXGIDCSFYDTG-LBPRGKRZSA-N 2 2 297.362 1.118 20 30 CDEDLP C=C(CC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001347650182 965641012 /nfs/dbraw/zinc/64/10/12/965641012.db2.gz KXTYSJSICXZNCZ-UHFFFAOYSA-N 2 2 267.417 1.437 20 30 CDEDLP C=C(CC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001347650182 965641019 /nfs/dbraw/zinc/64/10/19/965641019.db2.gz KXTYSJSICXZNCZ-UHFFFAOYSA-N 2 2 267.417 1.437 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001448802069 967261658 /nfs/dbraw/zinc/26/16/58/967261658.db2.gz ZMCFJFIUAFHCFF-CYBMUJFWSA-N 2 2 298.818 1.852 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001374098883 973775085 /nfs/dbraw/zinc/77/50/85/973775085.db2.gz PMPANLPMLILIRG-JTQLQIEISA-N 2 2 284.791 1.057 20 30 CDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133134371 1163579858 /nfs/dbraw/zinc/57/98/58/1163579858.db2.gz DGGWLVDAZHDTTN-KGLIPLIRSA-N 2 2 288.395 1.050 20 30 CDEDLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000564857658 365524717 /nfs/dbraw/zinc/52/47/17/365524717.db2.gz OFPJNBLVASRCCU-FUHWJXTLSA-N 2 2 299.418 1.980 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000564857658 365524722 /nfs/dbraw/zinc/52/47/22/365524722.db2.gz OFPJNBLVASRCCU-FUHWJXTLSA-N 2 2 299.418 1.980 20 30 CDEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000439000126 361788981 /nfs/dbraw/zinc/78/89/81/361788981.db2.gz WDJJLTAXGQLEIS-HUUCEWRRSA-N 2 2 251.418 1.567 20 30 CDEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000439000126 361788985 /nfs/dbraw/zinc/78/89/85/361788985.db2.gz WDJJLTAXGQLEIS-HUUCEWRRSA-N 2 2 251.418 1.567 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257687 342098717 /nfs/dbraw/zinc/09/87/17/342098717.db2.gz CDEOAFIFXJXEHJ-CQSZACIVSA-N 2 2 289.383 1.282 20 30 CDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257687 342098718 /nfs/dbraw/zinc/09/87/18/342098718.db2.gz CDEOAFIFXJXEHJ-CQSZACIVSA-N 2 2 289.383 1.282 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594612957 342927567 /nfs/dbraw/zinc/92/75/67/342927567.db2.gz REMJKFJIXNEQAU-JSGCOSHPSA-N 2 2 251.374 1.522 20 30 CDEDLP N#Cc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000594915442 342984929 /nfs/dbraw/zinc/98/49/29/342984929.db2.gz UMODWRDYRYKQFC-UHFFFAOYSA-N 2 2 252.321 1.991 20 30 CDEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000595471669 343073011 /nfs/dbraw/zinc/07/30/11/343073011.db2.gz CNKJYHZNMYUUOE-PMPSAXMXSA-N 2 2 277.412 1.865 20 30 CDEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000595471669 343073013 /nfs/dbraw/zinc/07/30/13/343073013.db2.gz CNKJYHZNMYUUOE-PMPSAXMXSA-N 2 2 277.412 1.865 20 30 CDEDLP CN(C[C@H]1CC[N@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329733067 362029596 /nfs/dbraw/zinc/02/95/96/362029596.db2.gz JIMKEHGOJVDQDC-NWDGAFQWSA-N 2 2 291.399 1.065 20 30 CDEDLP CN(C[C@H]1CC[N@@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329733067 362029599 /nfs/dbraw/zinc/02/95/99/362029599.db2.gz JIMKEHGOJVDQDC-NWDGAFQWSA-N 2 2 291.399 1.065 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2C)CC1 ZINC000081644550 342372744 /nfs/dbraw/zinc/37/27/44/342372744.db2.gz NFQFJBLFELBYTO-UHFFFAOYSA-N 2 2 299.418 1.204 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2C)CC1 ZINC000081644550 342372745 /nfs/dbraw/zinc/37/27/45/342372745.db2.gz NFQFJBLFELBYTO-UHFFFAOYSA-N 2 2 299.418 1.204 20 30 CDEDLP C[NH+](C)CC(=O)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444590207 362192382 /nfs/dbraw/zinc/19/23/82/362192382.db2.gz LMCGBRXCWPFFTR-UHFFFAOYSA-N 2 2 294.443 1.412 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[NH+](C)C ZINC000602595560 344502506 /nfs/dbraw/zinc/50/25/06/344502506.db2.gz YUPUWCPOVKKFDH-OLZOCXBDSA-N 2 2 253.390 1.625 20 30 CDEDLP COCCC[N@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602560989 344469108 /nfs/dbraw/zinc/46/91/08/344469108.db2.gz PCQBIAADRDHZCB-OAHLLOKOSA-N 2 2 297.443 1.643 20 30 CDEDLP COCCC[N@@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602560989 344469110 /nfs/dbraw/zinc/46/91/10/344469110.db2.gz PCQBIAADRDHZCB-OAHLLOKOSA-N 2 2 297.443 1.643 20 30 CDEDLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000397689068 347782331 /nfs/dbraw/zinc/78/23/31/347782331.db2.gz WMEGFCBIRZPIRU-OCCSQVGLSA-N 2 2 251.374 1.067 20 30 CDEDLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000397689068 347782334 /nfs/dbraw/zinc/78/23/34/347782334.db2.gz WMEGFCBIRZPIRU-OCCSQVGLSA-N 2 2 251.374 1.067 20 30 CDEDLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000397689068 347782337 /nfs/dbraw/zinc/78/23/37/347782337.db2.gz WMEGFCBIRZPIRU-OCCSQVGLSA-N 2 2 251.374 1.067 20 30 CDEDLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000397689068 347782340 /nfs/dbraw/zinc/78/23/40/347782340.db2.gz WMEGFCBIRZPIRU-OCCSQVGLSA-N 2 2 251.374 1.067 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000106034027 349393123 /nfs/dbraw/zinc/39/31/23/349393123.db2.gz QDBXQJVFWYSRPY-UHFFFAOYSA-N 2 2 290.411 1.820 20 30 CDEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602479401 350113124 /nfs/dbraw/zinc/11/31/24/350113124.db2.gz KFIITKQLFPCGND-ZDUSSCGKSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602479401 350113128 /nfs/dbraw/zinc/11/31/28/350113128.db2.gz KFIITKQLFPCGND-ZDUSSCGKSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602479401 350113130 /nfs/dbraw/zinc/11/31/30/350113130.db2.gz KFIITKQLFPCGND-ZDUSSCGKSA-N 2 2 258.369 1.727 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602479401 350113132 /nfs/dbraw/zinc/11/31/32/350113132.db2.gz KFIITKQLFPCGND-ZDUSSCGKSA-N 2 2 258.369 1.727 20 30 CDEDLP N#Cc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)n1 ZINC000602654647 350139103 /nfs/dbraw/zinc/13/91/03/350139103.db2.gz RKFOOSJDGUOOJF-UHFFFAOYSA-N 2 2 267.336 1.776 20 30 CDEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C)c1ccco1 ZINC000170910033 365161354 /nfs/dbraw/zinc/16/13/54/365161354.db2.gz WLXOTAVQKPOMQC-LLVKDONJSA-N 2 2 252.362 1.539 20 30 CDEDLP CNC(NC[C@@H](c1cccc(OC)c1)[NH+](C)C)=[NH+]C ZINC000264119841 370867042 /nfs/dbraw/zinc/86/70/42/370867042.db2.gz QRHMTELICVHSGJ-ZDUSSCGKSA-N 2 2 264.373 1.093 20 30 CDEDLP C=CCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131294253 375394514 /nfs/dbraw/zinc/39/45/14/375394514.db2.gz AICCMNRBYLEQNC-AWEZNQCLSA-N 2 2 265.401 1.367 20 30 CDEDLP C=CCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131294253 375394518 /nfs/dbraw/zinc/39/45/18/375394518.db2.gz AICCMNRBYLEQNC-AWEZNQCLSA-N 2 2 265.401 1.367 20 30 CDEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1cccs1 ZINC000058159547 375676754 /nfs/dbraw/zinc/67/67/54/375676754.db2.gz RFFOLGYTPFHSQQ-VXGBXAGGSA-N 2 2 296.440 1.434 20 30 CDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000163587576 375744590 /nfs/dbraw/zinc/74/45/90/375744590.db2.gz LJYXISRSTIWQAC-BETUJISGSA-N 2 2 261.756 1.863 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000163587576 375744594 /nfs/dbraw/zinc/74/45/94/375744594.db2.gz LJYXISRSTIWQAC-BETUJISGSA-N 2 2 261.756 1.863 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245451922 376048165 /nfs/dbraw/zinc/04/81/65/376048165.db2.gz PXWBVZRAIOIFMW-HUUCEWRRSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245451922 376048169 /nfs/dbraw/zinc/04/81/69/376048169.db2.gz PXWBVZRAIOIFMW-HUUCEWRRSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000245451922 376048175 /nfs/dbraw/zinc/04/81/75/376048175.db2.gz PXWBVZRAIOIFMW-HUUCEWRRSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000245451922 376048178 /nfs/dbraw/zinc/04/81/78/376048178.db2.gz PXWBVZRAIOIFMW-HUUCEWRRSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858224 376810744 /nfs/dbraw/zinc/81/07/44/376810744.db2.gz PXWBVZRAIOIFMW-LSDHHAIUSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858224 376810747 /nfs/dbraw/zinc/81/07/47/376810747.db2.gz PXWBVZRAIOIFMW-LSDHHAIUSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072858224 376810750 /nfs/dbraw/zinc/81/07/50/376810750.db2.gz PXWBVZRAIOIFMW-LSDHHAIUSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072858224 376810754 /nfs/dbraw/zinc/81/07/54/376810754.db2.gz PXWBVZRAIOIFMW-LSDHHAIUSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858223 376811723 /nfs/dbraw/zinc/81/17/23/376811723.db2.gz PXWBVZRAIOIFMW-GJZGRUSLSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858223 376811732 /nfs/dbraw/zinc/81/17/32/376811732.db2.gz PXWBVZRAIOIFMW-GJZGRUSLSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072858223 376811738 /nfs/dbraw/zinc/81/17/38/376811738.db2.gz PXWBVZRAIOIFMW-GJZGRUSLSA-N 2 2 294.443 1.268 20 30 CDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072858223 376811746 /nfs/dbraw/zinc/81/17/46/376811746.db2.gz PXWBVZRAIOIFMW-GJZGRUSLSA-N 2 2 294.443 1.268 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000250692814 377520082 /nfs/dbraw/zinc/52/00/82/377520082.db2.gz MUXIHLAZWDEEPQ-GOEBONIOSA-N 2 2 294.443 1.314 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000250692814 377520087 /nfs/dbraw/zinc/52/00/87/377520087.db2.gz MUXIHLAZWDEEPQ-GOEBONIOSA-N 2 2 294.443 1.314 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000250692814 377520091 /nfs/dbraw/zinc/52/00/91/377520091.db2.gz MUXIHLAZWDEEPQ-GOEBONIOSA-N 2 2 294.443 1.314 20 30 CDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000250692814 377520096 /nfs/dbraw/zinc/52/00/96/377520096.db2.gz MUXIHLAZWDEEPQ-GOEBONIOSA-N 2 2 294.443 1.314 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150805237 390917114 /nfs/dbraw/zinc/91/71/14/390917114.db2.gz GWQLSZJUADRGIA-INIZCTEOSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150805237 390917115 /nfs/dbraw/zinc/91/71/15/390917115.db2.gz GWQLSZJUADRGIA-INIZCTEOSA-N 2 2 293.455 1.829 20 30 CDEDLP C[NH+]=C(NC[C@@H](c1ccsc1)[NH+](C)C)NC1CC1 ZINC000262069617 390998905 /nfs/dbraw/zinc/99/89/05/390998905.db2.gz BWQPQYNSKYNJMN-LBPRGKRZSA-N 2 2 266.414 1.678 20 30 CDEDLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000108371477 391345507 /nfs/dbraw/zinc/34/55/07/391345507.db2.gz YHOAPEGRLYWWKY-ZDUSSCGKSA-N 2 2 280.416 1.209 20 30 CDEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354222932 391411172 /nfs/dbraw/zinc/41/11/72/391411172.db2.gz KETRXELRISAXND-CHWSQXEVSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354222932 391411175 /nfs/dbraw/zinc/41/11/75/391411175.db2.gz KETRXELRISAXND-CHWSQXEVSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354222932 391411179 /nfs/dbraw/zinc/41/11/79/391411179.db2.gz KETRXELRISAXND-CHWSQXEVSA-N 2 2 253.390 1.093 20 30 CDEDLP C=CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354222932 391411181 /nfs/dbraw/zinc/41/11/81/391411181.db2.gz KETRXELRISAXND-CHWSQXEVSA-N 2 2 253.390 1.093 20 30 CDEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000404159454 391616532 /nfs/dbraw/zinc/61/65/32/391616532.db2.gz PZAKGBDIMZXESG-CQSZACIVSA-N 2 2 277.343 1.244 20 30 CDEDLP C=CCCO[C@@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360906813 391676348 /nfs/dbraw/zinc/67/63/48/391676348.db2.gz RNHHGZXYUZOIGI-AWEZNQCLSA-N 2 2 297.443 1.110 20 30 CDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCSC(C)(C)C1 ZINC000261929516 391733883 /nfs/dbraw/zinc/73/38/83/391733883.db2.gz LJBHHDXBQIPDLC-UHFFFAOYSA-N 2 2 281.429 1.286 20 30 CDEDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc(C#N)n(C)c2)C[C@@H](C)O1 ZINC000190715994 130138759 /nfs/dbraw/zinc/13/87/59/130138759.db2.gz DCIBBIWYOSHZGK-ZIAGYGMSSA-N 2 2 290.411 1.486 20 30 CDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCNC(=O)[C@@H]2C)CC1 ZINC000329921493 391799586 /nfs/dbraw/zinc/79/95/86/391799586.db2.gz FUSJHWKWPOPPOV-LBPRGKRZSA-N 2 2 296.415 1.478 20 30 CDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCNC(=O)[C@@H]2C)CC1 ZINC000329921493 391799589 /nfs/dbraw/zinc/79/95/89/391799589.db2.gz FUSJHWKWPOPPOV-LBPRGKRZSA-N 2 2 296.415 1.478 20 30 CDEDLP C=CCNC(=[NH+]CC)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160097139 261204290 /nfs/dbraw/zinc/20/42/90/261204290.db2.gz DCYQTEDUGCKECM-ZIAGYGMSSA-N 2 2 275.400 1.918 20 30 CDEDLP CN(C(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000273352076 263015998 /nfs/dbraw/zinc/01/59/98/263015998.db2.gz QMIMPLZGQUZZNJ-AWEZNQCLSA-N 2 2 260.385 1.698 20 30 CDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)nc1 ZINC000562372014 293145901 /nfs/dbraw/zinc/14/59/01/293145901.db2.gz WECSHMCQZPVZQX-OAHLLOKOSA-N 2 2 270.380 1.871 20 30 CDEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)nc1 ZINC000562372014 293145904 /nfs/dbraw/zinc/14/59/04/293145904.db2.gz WECSHMCQZPVZQX-OAHLLOKOSA-N 2 2 270.380 1.871 20 30 CDEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@@H](C)COC)c1ccco1 ZINC000264078266 328157383 /nfs/dbraw/zinc/15/73/83/328157383.db2.gz GLWUCAOYTHQKLG-STQMWFEESA-N 2 2 296.415 1.602 20 30 CDEDLP C#CCCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378397396 329048835 /nfs/dbraw/zinc/04/88/35/329048835.db2.gz FMCINCWIJAUSAB-HNNXBMFYSA-N 2 2 291.439 1.465 20 30 CDEDLP C#CCCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378397396 329048836 /nfs/dbraw/zinc/04/88/36/329048836.db2.gz FMCINCWIJAUSAB-HNNXBMFYSA-N 2 2 291.439 1.465 20 30 CDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423094152 330169510 /nfs/dbraw/zinc/16/95/10/330169510.db2.gz JPASAFIVAXHUDX-YJNKXOJESA-N 2 2 268.401 1.324 20 30 CDEDLP C#CCNC(=O)C1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000491069227 332145430 /nfs/dbraw/zinc/14/54/30/332145430.db2.gz UWJARTGNOBQPKW-UHFFFAOYSA-N 2 2 299.418 1.784 20 30 CDEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491713259 332304163 /nfs/dbraw/zinc/30/41/63/332304163.db2.gz JEPXGOMPKFJSEN-CHWSQXEVSA-N 2 2 289.383 1.143 20 30 CDEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491713259 332304164 /nfs/dbraw/zinc/30/41/64/332304164.db2.gz JEPXGOMPKFJSEN-CHWSQXEVSA-N 2 2 289.383 1.143 20 30 CDEDLP COCC#CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000677478294 482680858 /nfs/dbraw/zinc/68/08/58/482680858.db2.gz UGGLIYDVFPMDMY-IRXDYDNUSA-N 2 2 293.455 1.127 20 30 CDEDLP Cn1cc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1C#N ZINC000365135604 527218673 /nfs/dbraw/zinc/21/86/73/527218673.db2.gz KMJANQMNPOLVFY-CYBMUJFWSA-N 2 2 269.352 1.760 20 30 CDEDLP CC(C)[N@H+]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C1 ZINC000761859839 576598666 /nfs/dbraw/zinc/59/86/66/576598666.db2.gz BMGMDPSYXDYVMK-LBPRGKRZSA-N 2 2 299.382 1.790 20 30 CDEDLP CC(C)[N@@H+]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C1 ZINC000761859839 576598669 /nfs/dbraw/zinc/59/86/69/576598669.db2.gz BMGMDPSYXDYVMK-LBPRGKRZSA-N 2 2 299.382 1.790 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)CC)CC1 ZINC000948825751 613196397 /nfs/dbraw/zinc/19/63/97/613196397.db2.gz PRKOJPHUZRCVRA-HOTGVXAUSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)CC)CC1 ZINC000948825751 613196398 /nfs/dbraw/zinc/19/63/98/613196398.db2.gz PRKOJPHUZRCVRA-HOTGVXAUSA-N 2 2 291.439 1.274 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000948634268 613319219 /nfs/dbraw/zinc/31/92/19/613319219.db2.gz UMTLYGOSHMEQLQ-OAHLLOKOSA-N 2 2 279.428 1.581 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000948634268 613319221 /nfs/dbraw/zinc/31/92/21/613319221.db2.gz UMTLYGOSHMEQLQ-OAHLLOKOSA-N 2 2 279.428 1.581 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947981279 613327475 /nfs/dbraw/zinc/32/74/75/613327475.db2.gz UUABJOMJTPIWEF-GXTWGEPZSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947981279 613327477 /nfs/dbraw/zinc/32/74/77/613327477.db2.gz UUABJOMJTPIWEF-GXTWGEPZSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000972332116 613369981 /nfs/dbraw/zinc/36/99/81/613369981.db2.gz AUCHQBJZYPOQJH-OCCSQVGLSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000972332116 613369982 /nfs/dbraw/zinc/36/99/82/613369982.db2.gz AUCHQBJZYPOQJH-OCCSQVGLSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000972332116 613369983 /nfs/dbraw/zinc/36/99/83/613369983.db2.gz AUCHQBJZYPOQJH-OCCSQVGLSA-N 2 2 299.846 1.613 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000972332116 613369984 /nfs/dbraw/zinc/36/99/84/613369984.db2.gz AUCHQBJZYPOQJH-OCCSQVGLSA-N 2 2 299.846 1.613 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981550226 613860504 /nfs/dbraw/zinc/86/05/04/613860504.db2.gz KQNYISJFFYHOHO-CHWSQXEVSA-N 2 2 262.357 1.086 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000907433496 627666379 /nfs/dbraw/zinc/66/63/79/627666379.db2.gz VLBRYUPAWDRBFX-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000907433496 627666381 /nfs/dbraw/zinc/66/63/81/627666381.db2.gz VLBRYUPAWDRBFX-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C(C)C)C1 ZINC000907433496 627666383 /nfs/dbraw/zinc/66/63/83/627666383.db2.gz VLBRYUPAWDRBFX-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C(C)C)C1 ZINC000907433496 627666387 /nfs/dbraw/zinc/66/63/87/627666387.db2.gz VLBRYUPAWDRBFX-CABCVRRESA-N 2 2 277.412 1.073 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151555 1160334318 /nfs/dbraw/zinc/33/43/18/1160334318.db2.gz JZDVYNMBGHZSLA-KGLIPLIRSA-N 2 2 288.395 1.309 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151555 1160334325 /nfs/dbraw/zinc/33/43/25/1160334325.db2.gz JZDVYNMBGHZSLA-KGLIPLIRSA-N 2 2 288.395 1.309 20 30 CDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C#N)c1F ZINC001249687955 1167413493 /nfs/dbraw/zinc/41/34/93/1167413493.db2.gz VYMTULXGVNAOKJ-UHFFFAOYSA-N 2 2 290.386 1.377 20 30 CDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C#N)c1F ZINC001249687955 1167413501 /nfs/dbraw/zinc/41/35/01/1167413501.db2.gz VYMTULXGVNAOKJ-UHFFFAOYSA-N 2 2 290.386 1.377 20 30 CDEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752788282 1184913306 /nfs/dbraw/zinc/91/33/06/1184913306.db2.gz GLKPJCYRSJENJA-ZDUSSCGKSA-N 2 2 276.384 1.357 20 30 CDEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752788282 1184913310 /nfs/dbraw/zinc/91/33/10/1184913310.db2.gz GLKPJCYRSJENJA-ZDUSSCGKSA-N 2 2 276.384 1.357 20 30 CDEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753460125 1185219328 /nfs/dbraw/zinc/21/93/28/1185219328.db2.gz XFLSWCKOQCIMJY-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753460125 1185219330 /nfs/dbraw/zinc/21/93/30/1185219330.db2.gz XFLSWCKOQCIMJY-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001754486002 1185639183 /nfs/dbraw/zinc/63/91/83/1185639183.db2.gz GJWJUWIHHIXCQS-CQSZACIVSA-N 2 2 290.411 1.693 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001754486002 1185639186 /nfs/dbraw/zinc/63/91/86/1185639186.db2.gz GJWJUWIHHIXCQS-CQSZACIVSA-N 2 2 290.411 1.693 20 30 CDEDLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001754492337 1185640225 /nfs/dbraw/zinc/64/02/25/1185640225.db2.gz AKHCLCMPSJQVDU-KRWDZBQOSA-N 2 2 299.418 1.180 20 30 CDEDLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001754492337 1185640229 /nfs/dbraw/zinc/64/02/29/1185640229.db2.gz AKHCLCMPSJQVDU-KRWDZBQOSA-N 2 2 299.418 1.180 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754617783 1185686445 /nfs/dbraw/zinc/68/64/45/1185686445.db2.gz XDTLPLADRJLIOE-KBPBESRZSA-N 2 2 276.384 1.601 20 30 CDEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001755319950 1185914716 /nfs/dbraw/zinc/91/47/16/1185914716.db2.gz VRNYKXWPACOIDH-OLZOCXBDSA-N 2 2 278.400 1.743 20 30 CDEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001755319950 1185914722 /nfs/dbraw/zinc/91/47/22/1185914722.db2.gz VRNYKXWPACOIDH-OLZOCXBDSA-N 2 2 278.400 1.743 20 30 CDEDLP C=CC[NH2+][C@H](CCNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001755552619 1185987739 /nfs/dbraw/zinc/98/77/39/1185987739.db2.gz UEEOFLRBZJUOKO-CYBMUJFWSA-N 2 2 278.400 1.567 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001437486138 962948281 /nfs/dbraw/zinc/94/82/81/962948281.db2.gz ZCOQFBBLCVZDLF-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014511072 823846722 /nfs/dbraw/zinc/84/67/22/823846722.db2.gz ZMUSDBYVERWSSU-MELADBBJSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014511072 823846730 /nfs/dbraw/zinc/84/67/30/823846730.db2.gz ZMUSDBYVERWSSU-MELADBBJSA-N 2 2 299.846 1.660 20 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C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001038258539 827880948 /nfs/dbraw/zinc/88/09/48/827880948.db2.gz GDWJCWZICMYFFP-UONOGXRCSA-N 2 2 265.401 1.236 20 30 CDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000991902081 828152297 /nfs/dbraw/zinc/15/22/97/828152297.db2.gz RBNRTPMJKXWWHG-UHFFFAOYSA-N 2 2 296.802 1.675 20 30 CDEDLP C#CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+](C)CC1 ZINC000886571379 828171309 /nfs/dbraw/zinc/17/13/09/828171309.db2.gz SZNATJYXRZSXTJ-UHFFFAOYSA-N 2 2 296.374 1.733 20 30 CDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999535741 828310066 /nfs/dbraw/zinc/31/00/66/828310066.db2.gz LQTVWARPKUFSEO-ZIAGYGMSSA-N 2 2 288.395 1.212 20 30 CDEDLP C#CC[NH+]1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760194 910934495 /nfs/dbraw/zinc/93/44/95/910934495.db2.gz RUNSBTYLJVAUBY-PKOBYXMFSA-N 2 2 297.446 1.900 20 30 CDEDLP C#CC[NH+]1CCN([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171760194 910934508 /nfs/dbraw/zinc/93/45/08/910934508.db2.gz RUNSBTYLJVAUBY-PKOBYXMFSA-N 2 2 297.446 1.900 20 30 CDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001098285877 918218140 /nfs/dbraw/zinc/21/81/40/918218140.db2.gz SAHRATNFMMQMQM-BNOWGMLFSA-N 2 2 274.368 1.168 20 30 CDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001098285877 918218158 /nfs/dbraw/zinc/21/81/58/918218158.db2.gz SAHRATNFMMQMQM-BNOWGMLFSA-N 2 2 274.368 1.168 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184491971 919146895 /nfs/dbraw/zinc/14/68/95/919146895.db2.gz FYXIHKCTBUKBKK-CQSZACIVSA-N 2 2 290.411 1.509 20 30 CDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184903252 919334057 /nfs/dbraw/zinc/33/40/57/919334057.db2.gz NTIWEOWFZBRRIN-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185925894 919820122 /nfs/dbraw/zinc/82/01/22/919820122.db2.gz QMSJQVMBSMRHNM-GFCCVEGCSA-N 2 2 262.357 1.109 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033163769 921961601 /nfs/dbraw/zinc/96/16/01/921961601.db2.gz RZMHADJZFWAWAM-MGPQQGTHSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033163769 921961602 /nfs/dbraw/zinc/96/16/02/921961602.db2.gz RZMHADJZFWAWAM-MGPQQGTHSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001033163769 921961603 /nfs/dbraw/zinc/96/16/03/921961603.db2.gz RZMHADJZFWAWAM-MGPQQGTHSA-N 2 2 286.379 1.069 20 30 CDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001033163769 921961604 /nfs/dbraw/zinc/96/16/04/921961604.db2.gz RZMHADJZFWAWAM-MGPQQGTHSA-N 2 2 286.379 1.069 20 30 CDEDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140547003 936723874 /nfs/dbraw/zinc/72/38/74/936723874.db2.gz DKKCXKYNWOIZOS-UHFFFAOYSA-N 2 2 293.374 1.979 20 30 CDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192579346 923155742 /nfs/dbraw/zinc/15/57/42/923155742.db2.gz ZGPLWSCFTCHPQG-CABCVRRESA-N 2 2 288.395 1.390 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193622461 923814038 /nfs/dbraw/zinc/81/40/38/923814038.db2.gz NKFYLIYQQGHZIC-CYBMUJFWSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193622461 923814041 /nfs/dbraw/zinc/81/40/41/923814041.db2.gz NKFYLIYQQGHZIC-CYBMUJFWSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193622461 923814050 /nfs/dbraw/zinc/81/40/50/923814050.db2.gz NKFYLIYQQGHZIC-CYBMUJFWSA-N 2 2 287.835 1.613 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193622461 923814056 /nfs/dbraw/zinc/81/40/56/923814056.db2.gz NKFYLIYQQGHZIC-CYBMUJFWSA-N 2 2 287.835 1.613 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203240668 924764583 /nfs/dbraw/zinc/76/45/83/924764583.db2.gz PAQVCSATRKAPGK-KGLIPLIRSA-N 2 2 288.395 1.476 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001086086404 926684308 /nfs/dbraw/zinc/68/43/08/926684308.db2.gz OQVRPTRYLFFUEK-OTVXOJSOSA-N 2 2 298.390 1.927 20 30 CDEDLP N#CCCOc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169074813 927690704 /nfs/dbraw/zinc/69/07/04/927690704.db2.gz OSJTVEQJKDDVQE-GFCCVEGCSA-N 2 2 286.335 1.027 20 30 CDEDLP C=C(C)C[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152202429 937343500 /nfs/dbraw/zinc/34/35/00/937343500.db2.gz MEAMAJRVZOASEV-UHFFFAOYSA-N 2 2 293.436 1.388 20 30 CDEDLP C=C(C)C[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152202429 937343503 /nfs/dbraw/zinc/34/35/03/937343503.db2.gz MEAMAJRVZOASEV-UHFFFAOYSA-N 2 2 293.436 1.388 20 30 CDEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055696 930019555 /nfs/dbraw/zinc/01/95/55/930019555.db2.gz GTMWSFORYVRBFZ-UONOGXRCSA-N 2 2 290.411 1.249 20 30 CDEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031227 930610625 /nfs/dbraw/zinc/61/06/25/930610625.db2.gz HPUZETQEPOBALV-NWDGAFQWSA-N 2 2 276.384 1.157 20 30 CDEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136057385 930628964 /nfs/dbraw/zinc/62/89/64/930628964.db2.gz XUHKDDQRZJOFTD-KGLIPLIRSA-N 2 2 290.411 1.249 20 30 CDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153894729 937481460 /nfs/dbraw/zinc/48/14/60/937481460.db2.gz FHHKOXVOKIGRHQ-MGPQQGTHSA-N 2 2 288.395 1.363 20 30 CDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153894729 937481461 /nfs/dbraw/zinc/48/14/61/937481461.db2.gz FHHKOXVOKIGRHQ-MGPQQGTHSA-N 2 2 288.395 1.363 20 30 CDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001091106729 931823923 /nfs/dbraw/zinc/82/39/23/931823923.db2.gz UHGUBBUKZGCVEM-ROKHWSDSSA-N 2 2 288.395 1.116 20 30 CDEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707062 932286262 /nfs/dbraw/zinc/28/62/62/932286262.db2.gz NPDVCXLQNTZCKW-KGLIPLIRSA-N 2 2 276.384 1.169 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001038328780 935741429 /nfs/dbraw/zinc/74/14/29/935741429.db2.gz NXCDNROKOBWBFC-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001038328780 935741425 /nfs/dbraw/zinc/74/14/25/935741425.db2.gz NXCDNROKOBWBFC-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001038328780 935741433 /nfs/dbraw/zinc/74/14/33/935741433.db2.gz NXCDNROKOBWBFC-CABCVRRESA-N 2 2 277.412 1.075 20 30 CDEDLP N#C[C@@H]1CCCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001160642929 938806693 /nfs/dbraw/zinc/80/66/93/938806693.db2.gz RUULSYYKJXKQDJ-SMDDNHRTSA-N 2 2 272.352 1.021 20 30 CDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166967227 939663653 /nfs/dbraw/zinc/66/36/53/939663653.db2.gz IFPNRNIGHLKKGK-ZIAGYGMSSA-N 2 2 290.411 1.586 20 30 CDEDLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(C#N)ccc2O)CC1 ZINC001205280481 939877136 /nfs/dbraw/zinc/87/71/36/939877136.db2.gz AIGXVXHFFSTTFS-HNNXBMFYSA-N 2 2 259.353 1.967 20 30 CDEDLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(C#N)ccc2O)CC1 ZINC001205280481 939877139 /nfs/dbraw/zinc/87/71/39/939877139.db2.gz AIGXVXHFFSTTFS-HNNXBMFYSA-N 2 2 259.353 1.967 20 30 CDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533843 940055322 /nfs/dbraw/zinc/05/53/22/940055322.db2.gz STZOKDRKJJLEEV-ZDUSSCGKSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533843 940055327 /nfs/dbraw/zinc/05/53/27/940055327.db2.gz STZOKDRKJJLEEV-ZDUSSCGKSA-N 2 2 288.395 1.050 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849282 940395814 /nfs/dbraw/zinc/39/58/14/940395814.db2.gz SGFYZIUZWVUDEZ-HNNXBMFYSA-N 2 2 290.411 1.820 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302470 940681557 /nfs/dbraw/zinc/68/15/57/940681557.db2.gz CGNFRRATDWQVME-ZIAGYGMSSA-N 2 2 290.411 1.888 20 30 CDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215710454 940903766 /nfs/dbraw/zinc/90/37/66/940903766.db2.gz YCZVIPPMIHRHRU-RBSFLKMASA-N 2 2 288.395 1.294 20 30 CDEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835662 941552440 /nfs/dbraw/zinc/55/24/40/941552440.db2.gz VAKBVKUHYRYCSE-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835662 941552442 /nfs/dbraw/zinc/55/24/42/941552442.db2.gz VAKBVKUHYRYCSE-UKRRQHHQSA-N 2 2 288.395 1.451 20 30 CDEDLP CCc1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)ccc1C#N ZINC001235060155 944035453 /nfs/dbraw/zinc/03/54/53/944035453.db2.gz FOAHHKBZWVPVCK-KRWDZBQOSA-N 2 2 284.407 1.258 20 30 CDEDLP CCc1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)ccc1C#N ZINC001235060155 944035461 /nfs/dbraw/zinc/03/54/61/944035461.db2.gz FOAHHKBZWVPVCK-KRWDZBQOSA-N 2 2 284.407 1.258 20 30 CDEDLP N#Cc1ccc2c(C[N@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])c[nH]c2c1 ZINC001235998620 944366551 /nfs/dbraw/zinc/36/65/51/944366551.db2.gz POGXPTASHGMXNI-VMZNBEPHSA-N 2 2 296.374 1.445 20 30 CDEDLP N#Cc1ccc2c(C[N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])c[nH]c2c1 ZINC001235998620 944366553 /nfs/dbraw/zinc/36/65/53/944366553.db2.gz POGXPTASHGMXNI-VMZNBEPHSA-N 2 2 296.374 1.445 20 30 CDEDLP N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414583 944764120 /nfs/dbraw/zinc/76/41/20/944764120.db2.gz LPZNAOYVCLHXAJ-ZFWWWQNUSA-N 2 2 271.364 1.838 20 30 CDEDLP N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414583 944764124 /nfs/dbraw/zinc/76/41/24/944764124.db2.gz LPZNAOYVCLHXAJ-ZFWWWQNUSA-N 2 2 271.364 1.838 20 30 CDEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1CC[NH2+]CC1)CCO2 ZINC001246744880 948426751 /nfs/dbraw/zinc/42/67/51/948426751.db2.gz CLZIBWKBHGTCGK-DOTOQJQBSA-N 2 2 294.439 1.812 20 30 CDEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CC[NH2+]CC1)CCO2 ZINC001246744880 948426757 /nfs/dbraw/zinc/42/67/57/948426757.db2.gz CLZIBWKBHGTCGK-DOTOQJQBSA-N 2 2 294.439 1.812 20 30 CDEDLP C=CCOC[C@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001252460903 951303801 /nfs/dbraw/zinc/30/38/01/951303801.db2.gz IJJCWRGFIJCXRY-CQSZACIVSA-N 2 2 292.379 1.488 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001419882232 962195665 /nfs/dbraw/zinc/19/56/65/962195665.db2.gz XPGMOSOZJCUUEL-ZDUSSCGKSA-N 2 2 298.818 1.825 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001437486138 962948245 /nfs/dbraw/zinc/94/82/45/962948245.db2.gz ZCOQFBBLCVZDLF-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001437486138 962948253 /nfs/dbraw/zinc/94/82/53/962948253.db2.gz ZCOQFBBLCVZDLF-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001437486138 962948268 /nfs/dbraw/zinc/94/82/68/962948268.db2.gz ZCOQFBBLCVZDLF-LBPRGKRZSA-N 2 2 273.808 1.271 20 30 CDEDLP C#CC[NH+]1CCC(OC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC001347400294 965510539 /nfs/dbraw/zinc/51/05/39/965510539.db2.gz FZZVAYDULRSGME-ZDUSSCGKSA-N 2 2 296.436 1.065 20 30 CDEDLP C#CC[NH+]1CCC(OC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC001347400294 965510544 /nfs/dbraw/zinc/51/05/44/965510544.db2.gz FZZVAYDULRSGME-ZDUSSCGKSA-N 2 2 296.436 1.065 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001374098885 973775430 /nfs/dbraw/zinc/77/54/30/973775430.db2.gz PMPANLPMLILIRG-SNVBAGLBSA-N 2 2 284.791 1.057 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379530629 975908504 /nfs/dbraw/zinc/90/85/04/975908504.db2.gz ROYLRZVTXMVTNJ-NSHDSACASA-N 2 2 270.764 1.120 20 30 CDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001406068785 975997185 /nfs/dbraw/zinc/99/71/85/975997185.db2.gz WEWIYKAUDSTTHT-GFCCVEGCSA-N 2 2 284.791 1.435 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382029090 977126503 /nfs/dbraw/zinc/12/65/03/977126503.db2.gz HBIMTWFTJYBVIW-CYBMUJFWSA-N 2 2 296.802 1.531 20 30 CDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000591581821 342638015 /nfs/dbraw/zinc/63/80/15/342638015.db2.gz XCKJYEGQWGUQJB-KCQAQPDRSA-N 2 2 259.328 1.835 20 30 CDEDLP N#CCCCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599474240 344062166 /nfs/dbraw/zinc/06/21/66/344062166.db2.gz LQCVWUWWSULTAM-UHFFFAOYSA-N 2 2 251.374 1.477 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449397377 362693451 /nfs/dbraw/zinc/69/34/51/362693451.db2.gz PXQHIOOPVXVCTQ-RDBSUJKOSA-N 2 2 251.374 1.115 20 30 CDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449397377 362693454 /nfs/dbraw/zinc/69/34/54/362693454.db2.gz PXQHIOOPVXVCTQ-RDBSUJKOSA-N 2 2 251.374 1.115 20 30 CDEDLP Cc1ccc2[nH+]cc(C[NH2+]C3CCN(CC#N)CC3)n2c1 ZINC000610930579 346493121 /nfs/dbraw/zinc/49/31/21/346493121.db2.gz YSUDDALYOJKFQQ-UHFFFAOYSA-N 2 2 283.379 1.720 20 30 CDEDLP C=CCNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264112549 362970074 /nfs/dbraw/zinc/97/00/74/362970074.db2.gz RIHLXPPZXSZKNF-LLVKDONJSA-N 2 2 252.387 1.441 20 30 CDEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC1CC1 ZINC000264117840 362971740 /nfs/dbraw/zinc/97/17/40/362971740.db2.gz TYJUWPXZTUZIQS-UHFFFAOYSA-N 2 2 288.395 1.086 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000621859153 350816238 /nfs/dbraw/zinc/81/62/38/350816238.db2.gz XBRVDYKFERTWJX-UHFFFAOYSA-N 2 2 276.384 1.454 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(C#N)c1 ZINC000124258420 187128759 /nfs/dbraw/zinc/12/87/59/187128759.db2.gz AQQFXJQWFBJUKY-UHFFFAOYSA-N 2 2 297.362 1.715 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(C#N)c1 ZINC000124258420 187128760 /nfs/dbraw/zinc/12/87/60/187128760.db2.gz AQQFXJQWFBJUKY-UHFFFAOYSA-N 2 2 297.362 1.715 20 30 CDEDLP COCC#CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000677820616 482794918 /nfs/dbraw/zinc/79/49/18/482794918.db2.gz RBLNHKYQKQKWNJ-OAHLLOKOSA-N 2 2 250.386 1.300 20 30 CDEDLP COCC#CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000677820616 482794927 /nfs/dbraw/zinc/79/49/27/482794927.db2.gz RBLNHKYQKQKWNJ-OAHLLOKOSA-N 2 2 250.386 1.300 20 30 CDEDLP COCC#CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000677820616 482794934 /nfs/dbraw/zinc/79/49/34/482794934.db2.gz RBLNHKYQKQKWNJ-OAHLLOKOSA-N 2 2 250.386 1.300 20 30 CDEDLP COCC#CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000677820616 482794941 /nfs/dbraw/zinc/79/49/41/482794941.db2.gz RBLNHKYQKQKWNJ-OAHLLOKOSA-N 2 2 250.386 1.300 20 30 CDEDLP C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644795784 358237488 /nfs/dbraw/zinc/23/74/88/358237488.db2.gz IQZWLQWKLJIQAU-CQSZACIVSA-N 2 2 293.455 1.873 20 30 CDEDLP C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644795784 358237492 /nfs/dbraw/zinc/23/74/92/358237492.db2.gz IQZWLQWKLJIQAU-CQSZACIVSA-N 2 2 293.455 1.873 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000264932048 359318887 /nfs/dbraw/zinc/31/88/87/359318887.db2.gz BCBAJACBYDCNQZ-MRXNPFEDSA-N 2 2 287.407 1.034 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000264932048 359318890 /nfs/dbraw/zinc/31/88/90/359318890.db2.gz BCBAJACBYDCNQZ-MRXNPFEDSA-N 2 2 287.407 1.034 20 30 CDEDLP C=CCOCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000348043324 359793630 /nfs/dbraw/zinc/79/36/30/359793630.db2.gz XYYMGXOUSVCJLV-UHFFFAOYSA-N 2 2 264.373 1.120 20 30 CDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)C[NH+]1CCOCC1 ZINC000176973502 189017799 /nfs/dbraw/zinc/01/77/99/189017799.db2.gz RIABWVGFWAFSBI-LBPRGKRZSA-N 2 2 279.409 1.678 20 30 CDEDLP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1C#N ZINC000087823914 361640586 /nfs/dbraw/zinc/64/05/86/361640586.db2.gz GQVQEXQFSZUOEJ-UHFFFAOYSA-N 2 2 256.309 1.553 20 30 CDEDLP C[C@@H]1C[C@@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000329662513 361674182 /nfs/dbraw/zinc/67/41/82/361674182.db2.gz OWYBRQSENSNXNW-NEPJUHHUSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@@H]1C[C@@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000329662513 361674187 /nfs/dbraw/zinc/67/41/87/361674187.db2.gz OWYBRQSENSNXNW-NEPJUHHUSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@@H]1C[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000329662513 361674190 /nfs/dbraw/zinc/67/41/90/361674190.db2.gz OWYBRQSENSNXNW-NEPJUHHUSA-N 2 2 277.372 1.095 20 30 CDEDLP C[C@@H]1C[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000329662513 361674196 /nfs/dbraw/zinc/67/41/96/361674196.db2.gz OWYBRQSENSNXNW-NEPJUHHUSA-N 2 2 277.372 1.095 20 30 CDEDLP C=C[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000570634700 363835786 /nfs/dbraw/zinc/83/57/86/363835786.db2.gz DXVPOSVDUIYOMJ-ZBFHGGJFSA-N 2 2 287.407 1.448 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)[C@@]23CCCO3)CC1 ZINC000638525268 370753440 /nfs/dbraw/zinc/75/34/40/370753440.db2.gz WLJMMZMJQUFJNH-GVDBMIGSSA-N 2 2 294.439 1.953 20 30 CDEDLP C=CCCC[C@H](C)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568741365 371229606 /nfs/dbraw/zinc/22/96/06/371229606.db2.gz RTDJAKFXWZYWMU-JONQDZQNSA-N 2 2 284.444 1.791 20 30 CDEDLP C=CCCC[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568741365 371229612 /nfs/dbraw/zinc/22/96/12/371229612.db2.gz RTDJAKFXWZYWMU-JONQDZQNSA-N 2 2 284.444 1.791 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173884201 372535901 /nfs/dbraw/zinc/53/59/01/372535901.db2.gz RLTOWZDMCUXFIW-JKSUJKDBSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173884201 372535904 /nfs/dbraw/zinc/53/59/04/372535904.db2.gz RLTOWZDMCUXFIW-JKSUJKDBSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173884201 372535912 /nfs/dbraw/zinc/53/59/12/372535912.db2.gz RLTOWZDMCUXFIW-JKSUJKDBSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173884201 372535921 /nfs/dbraw/zinc/53/59/21/372535921.db2.gz RLTOWZDMCUXFIW-JKSUJKDBSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCCC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578505615 372485543 /nfs/dbraw/zinc/48/55/43/372485543.db2.gz UXWRDPLVGVZTSB-QWHCGFSZSA-N 2 2 268.405 1.016 20 30 CDEDLP C=CCCC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578505615 372485551 /nfs/dbraw/zinc/48/55/51/372485551.db2.gz UXWRDPLVGVZTSB-QWHCGFSZSA-N 2 2 268.405 1.016 20 30 CDEDLP C[N@H+](Cc1ccccc1C#N)C1CC[NH+](CCO)CC1 ZINC000353356719 375306430 /nfs/dbraw/zinc/30/64/30/375306430.db2.gz SZLMUTQSTMXYFF-UHFFFAOYSA-N 2 2 273.380 1.447 20 30 CDEDLP C[N@@H+](Cc1ccccc1C#N)C1CC[NH+](CCO)CC1 ZINC000353356719 375306435 /nfs/dbraw/zinc/30/64/35/375306435.db2.gz SZLMUTQSTMXYFF-UHFFFAOYSA-N 2 2 273.380 1.447 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246922086 377017094 /nfs/dbraw/zinc/01/70/94/377017094.db2.gz DDIGBRGOLOFRQA-LSDHHAIUSA-N 2 2 279.428 1.627 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246922086 377017100 /nfs/dbraw/zinc/01/71/00/377017100.db2.gz DDIGBRGOLOFRQA-LSDHHAIUSA-N 2 2 279.428 1.627 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000289607536 378338993 /nfs/dbraw/zinc/33/89/93/378338993.db2.gz CXHMIBIFBWYUOU-NUEKZKHPSA-N 2 2 260.381 1.643 20 30 CDEDLP C=C[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000289607536 378338998 /nfs/dbraw/zinc/33/89/98/378338998.db2.gz CXHMIBIFBWYUOU-NUEKZKHPSA-N 2 2 260.381 1.643 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434525 391300146 /nfs/dbraw/zinc/30/01/46/391300146.db2.gz SJFVRAVBXHITJC-QGZVFWFLSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434525 391300147 /nfs/dbraw/zinc/30/01/47/391300147.db2.gz SJFVRAVBXHITJC-QGZVFWFLSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434525 391300149 /nfs/dbraw/zinc/30/01/49/391300149.db2.gz SJFVRAVBXHITJC-QGZVFWFLSA-N 2 2 293.455 1.829 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339434525 391300150 /nfs/dbraw/zinc/30/01/50/391300150.db2.gz SJFVRAVBXHITJC-QGZVFWFLSA-N 2 2 293.455 1.829 20 30 CDEDLP COCC[NH+](CCOC)C1CC[NH+](CCCC#N)CC1 ZINC000353024384 391318858 /nfs/dbraw/zinc/31/88/58/391318858.db2.gz OOBFTMQZIGILRU-UHFFFAOYSA-N 2 2 283.416 1.349 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331839254 391825939 /nfs/dbraw/zinc/82/59/39/391825939.db2.gz GCTKHSXZVUYPOJ-KGLIPLIRSA-N 2 2 280.416 1.163 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331839254 391825940 /nfs/dbraw/zinc/82/59/40/391825940.db2.gz GCTKHSXZVUYPOJ-KGLIPLIRSA-N 2 2 280.416 1.163 20 30 CDEDLP C=C[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649275162 393303273 /nfs/dbraw/zinc/30/32/73/393303273.db2.gz MDQPJDGOTJNJBM-CJNGLKHVSA-N 2 2 298.390 1.492 20 30 CDEDLP COCC#CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675730 413365615 /nfs/dbraw/zinc/36/56/15/413365615.db2.gz LMAXTPOVDIMZRS-UHFFFAOYSA-N 2 2 272.392 1.890 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000657307659 414158078 /nfs/dbraw/zinc/15/80/78/414158078.db2.gz SKPSPNMSJZGFGH-ZDUSSCGKSA-N 2 2 275.400 1.428 20 30 CDEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nn1 ZINC000657307659 414158083 /nfs/dbraw/zinc/15/80/83/414158083.db2.gz SKPSPNMSJZGFGH-ZDUSSCGKSA-N 2 2 275.400 1.428 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657352852 414204575 /nfs/dbraw/zinc/20/45/75/414204575.db2.gz LIAFFDJGZZJFRT-UHFFFAOYSA-N 2 2 274.412 1.959 20 30 CDEDLP C[C@@H]1CCCN(C(=[NH2+])NCC[NH+]2CCSCC2)C1 ZINC000262536888 262776591 /nfs/dbraw/zinc/77/65/91/262776591.db2.gz QBPHEEDERJZAPO-GFCCVEGCSA-N 2 2 270.446 1.082 20 30 CDEDLP Cn1cc[nH+]c1N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000271987918 263000915 /nfs/dbraw/zinc/00/09/15/263000915.db2.gz DBWCKIPPJCZBHE-UHFFFAOYSA-N 2 2 261.373 1.482 20 30 CDEDLP C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371145679 267354623 /nfs/dbraw/zinc/35/46/23/267354623.db2.gz CGIIDMAYMKCMIR-INIZCTEOSA-N 2 2 293.455 1.970 20 30 CDEDLP C=CCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371145679 267354624 /nfs/dbraw/zinc/35/46/24/267354624.db2.gz CGIIDMAYMKCMIR-INIZCTEOSA-N 2 2 293.455 1.970 20 30 CDEDLP N#C[C@@H](c1ccccc1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000161960976 327688010 /nfs/dbraw/zinc/68/80/10/327688010.db2.gz YEWMPFQKANHWOY-KRWDZBQOSA-N 2 2 295.390 1.766 20 30 CDEDLP C[NH+]=C(NCC[N@H+](C)Cc1ccc(F)cc1)NC1CC1 ZINC000267263112 328176296 /nfs/dbraw/zinc/17/62/96/328176296.db2.gz CZJQJSXQRRMOMP-UHFFFAOYSA-N 2 2 278.375 1.585 20 30 CDEDLP C[NH+]=C(NCC[N@@H+](C)Cc1ccc(F)cc1)NC1CC1 ZINC000267263112 328176297 /nfs/dbraw/zinc/17/62/97/328176297.db2.gz CZJQJSXQRRMOMP-UHFFFAOYSA-N 2 2 278.375 1.585 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534579265 328311404 /nfs/dbraw/zinc/31/14/04/328311404.db2.gz IVHKECZBKLPKNR-AWEZNQCLSA-N 2 2 290.411 1.634 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534579265 328311405 /nfs/dbraw/zinc/31/14/05/328311405.db2.gz IVHKECZBKLPKNR-AWEZNQCLSA-N 2 2 290.411 1.634 20 30 CDEDLP C=CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188273363 329367312 /nfs/dbraw/zinc/36/73/12/329367312.db2.gz WLIFCKZJWOHUAW-MRXNPFEDSA-N 2 2 260.381 1.741 20 30 CDEDLP C=CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188273363 329367313 /nfs/dbraw/zinc/36/73/13/329367313.db2.gz WLIFCKZJWOHUAW-MRXNPFEDSA-N 2 2 260.381 1.741 20 30 CDEDLP C=CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188273363 329367314 /nfs/dbraw/zinc/36/73/14/329367314.db2.gz WLIFCKZJWOHUAW-MRXNPFEDSA-N 2 2 260.381 1.741 20 30 CDEDLP C=CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188273363 329367315 /nfs/dbraw/zinc/36/73/15/329367315.db2.gz WLIFCKZJWOHUAW-MRXNPFEDSA-N 2 2 260.381 1.741 20 30 CDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])NCC2CCC2)C[C@@H](C)O1 ZINC000263230917 330049901 /nfs/dbraw/zinc/04/99/01/330049901.db2.gz HZYNHRDDGBFFQN-CHWSQXEVSA-N 2 2 296.459 1.579 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000490780228 332115097 /nfs/dbraw/zinc/11/50/97/332115097.db2.gz GYKIVOQGPQLZNF-GASCZTMLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000490780228 332115099 /nfs/dbraw/zinc/11/50/99/332115099.db2.gz GYKIVOQGPQLZNF-GASCZTMLSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000491483832 332219516 /nfs/dbraw/zinc/21/95/16/332219516.db2.gz FNLQMMDEUJLHMD-WBVHZDCISA-N 2 2 299.418 1.379 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000491483832 332219517 /nfs/dbraw/zinc/21/95/17/332219517.db2.gz FNLQMMDEUJLHMD-WBVHZDCISA-N 2 2 299.418 1.379 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000491616452 332243688 /nfs/dbraw/zinc/24/36/88/332243688.db2.gz JBLVXHKNPTZFNY-HZPDHXFCSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000491616452 332243689 /nfs/dbraw/zinc/24/36/89/332243689.db2.gz JBLVXHKNPTZFNY-HZPDHXFCSA-N 2 2 291.439 1.274 20 30 CDEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)C[NH+]1CCOCC1 ZINC000248877959 334320444 /nfs/dbraw/zinc/32/04/44/334320444.db2.gz JZLAHOIOWDKYPE-KFWWJZLASA-N 2 2 265.401 1.627 20 30 CDEDLP C[C@H](CCC#N)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000578135917 335520433 /nfs/dbraw/zinc/52/04/33/335520433.db2.gz UCUHPGDJFDJACR-CYBMUJFWSA-N 2 2 265.401 1.505 20 30 CDEDLP CCC#C[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000669936922 482523437 /nfs/dbraw/zinc/52/34/37/482523437.db2.gz LFYSXPUADLNGTH-JKSUJKDBSA-N 2 2 264.413 1.833 20 30 CDEDLP CCC#C[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000669936922 482523439 /nfs/dbraw/zinc/52/34/39/482523439.db2.gz LFYSXPUADLNGTH-JKSUJKDBSA-N 2 2 264.413 1.833 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000730096297 574848886 /nfs/dbraw/zinc/84/88/86/574848886.db2.gz ODDKZLLEVIFEHW-KBPBESRZSA-N 2 2 289.379 1.096 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000730096297 574848888 /nfs/dbraw/zinc/84/88/88/574848888.db2.gz ODDKZLLEVIFEHW-KBPBESRZSA-N 2 2 289.379 1.096 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000730275902 574907278 /nfs/dbraw/zinc/90/72/78/574907278.db2.gz BIGRSJWBMVXVDR-JYJNAYRXSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000730275902 574907281 /nfs/dbraw/zinc/90/72/81/574907281.db2.gz BIGRSJWBMVXVDR-JYJNAYRXSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000730275902 574907283 /nfs/dbraw/zinc/90/72/83/574907283.db2.gz BIGRSJWBMVXVDR-JYJNAYRXSA-N 2 2 291.439 1.463 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000730275902 574907285 /nfs/dbraw/zinc/90/72/85/574907285.db2.gz BIGRSJWBMVXVDR-JYJNAYRXSA-N 2 2 291.439 1.463 20 30 CDEDLP C=C(C[NH+](C)C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000764462600 575910961 /nfs/dbraw/zinc/91/09/61/575910961.db2.gz SARXFYKHVHQURB-UHFFFAOYSA-N 2 2 262.357 1.164 20 30 CDEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000970144796 612995507 /nfs/dbraw/zinc/99/55/07/612995507.db2.gz CVBWNYCEMFYAKP-CYBMUJFWSA-N 2 2 296.374 1.408 20 30 CDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981070241 613308338 /nfs/dbraw/zinc/30/83/38/613308338.db2.gz NPXZCESHEQVYQB-UHFFFAOYSA-N 2 2 276.384 1.453 20 30 CDEDLP C=C(C)C[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981070241 613308339 /nfs/dbraw/zinc/30/83/39/613308339.db2.gz NPXZCESHEQVYQB-UHFFFAOYSA-N 2 2 276.384 1.453 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947981281 613335092 /nfs/dbraw/zinc/33/50/92/613335092.db2.gz UUABJOMJTPIWEF-OCCSQVGLSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947981281 613335093 /nfs/dbraw/zinc/33/50/93/613335093.db2.gz UUABJOMJTPIWEF-OCCSQVGLSA-N 2 2 290.411 1.806 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971781080 613369846 /nfs/dbraw/zinc/36/98/46/613369846.db2.gz HORQGEIPPCTUEQ-QWHCGFSZSA-N 2 2 287.835 1.612 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971781080 613369847 /nfs/dbraw/zinc/36/98/47/613369847.db2.gz HORQGEIPPCTUEQ-QWHCGFSZSA-N 2 2 287.835 1.612 20 30 CDEDLP Cc1cc(C#N)nc(NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000892815724 617781119 /nfs/dbraw/zinc/78/11/19/617781119.db2.gz IDXKQOZAVFTRDQ-UHFFFAOYSA-N 2 2 287.411 1.700 20 30 CDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000926501282 617914346 /nfs/dbraw/zinc/91/43/46/617914346.db2.gz JJHJQCUGCFLGGW-UONOGXRCSA-N 2 2 267.417 1.751 20 30 CDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000926501282 617914353 /nfs/dbraw/zinc/91/43/53/617914353.db2.gz JJHJQCUGCFLGGW-UONOGXRCSA-N 2 2 267.417 1.751 20 30 CDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209866794 1167357962 /nfs/dbraw/zinc/35/79/62/1167357962.db2.gz VEKTXDBPDFVJGR-CABCVRRESA-N 2 2 288.395 1.438 20 30 CDEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC001580066535 1172340818 /nfs/dbraw/zinc/34/08/18/1172340818.db2.gz MVIWJARYQXESDT-UXLLHSPISA-N 2 2 298.390 1.145 20 30 CDEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC001580066535 1172340827 /nfs/dbraw/zinc/34/08/27/1172340827.db2.gz MVIWJARYQXESDT-UXLLHSPISA-N 2 2 298.390 1.145 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001715263489 1179600810 /nfs/dbraw/zinc/60/08/10/1179600810.db2.gz KSPCVPKEHAHTBB-VIFPVBQESA-N 2 2 270.764 1.047 20 30 CDEDLP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001753204802 1185115465 /nfs/dbraw/zinc/11/54/65/1185115465.db2.gz ARYKHYMQRKZCOI-GFCCVEGCSA-N 2 2 296.802 1.246 20 30 CDEDLP C#CC[N@@H+](CCCNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001753286724 1185142779 /nfs/dbraw/zinc/14/27/79/1185142779.db2.gz FAUMKKDHOMUGQG-UHFFFAOYSA-N 2 2 276.384 1.192 20 30 CDEDLP C#CC[N@H+](CCCNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001753286724 1185142782 /nfs/dbraw/zinc/14/27/82/1185142782.db2.gz FAUMKKDHOMUGQG-UHFFFAOYSA-N 2 2 276.384 1.192 20 30 CDEDLP C#CC[N@@H+](CCCNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001753286724 1185142784 /nfs/dbraw/zinc/14/27/84/1185142784.db2.gz FAUMKKDHOMUGQG-UHFFFAOYSA-N 2 2 276.384 1.192 20 30 CDEDLP C#CC[N@H+](CCCNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001753286724 1185142787 /nfs/dbraw/zinc/14/27/87/1185142787.db2.gz FAUMKKDHOMUGQG-UHFFFAOYSA-N 2 2 276.384 1.192 20 30 CDEDLP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753816056 1185342624 /nfs/dbraw/zinc/34/26/24/1185342624.db2.gz QOGORKAJHVAMAV-UONOGXRCSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001755071954 1185807890 /nfs/dbraw/zinc/80/78/90/1185807890.db2.gz LYQYDULHMUAYLY-UHFFFAOYSA-N 2 2 290.411 1.889 20 30 CDEDLP CC#CC[NH2+]CCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001755509716 1185975066 /nfs/dbraw/zinc/97/50/66/1185975066.db2.gz SDFPERRKVPGECN-CQSZACIVSA-N 2 2 276.384 1.171 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001032400900 832304028 /nfs/dbraw/zinc/30/40/28/832304028.db2.gz YKJAJONQQXJSIT-KKUMJFAQSA-N 2 2 277.412 1.330 20 30 CDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001032400900 832304037 /nfs/dbraw/zinc/30/40/37/832304037.db2.gz YKJAJONQQXJSIT-KKUMJFAQSA-N 2 2 277.412 1.330 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001032400900 832304046 /nfs/dbraw/zinc/30/40/46/832304046.db2.gz YKJAJONQQXJSIT-KKUMJFAQSA-N 2 2 277.412 1.330 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001032400900 832304052 /nfs/dbraw/zinc/30/40/52/832304052.db2.gz YKJAJONQQXJSIT-KKUMJFAQSA-N 2 2 277.412 1.330 20 30 CDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000049235060 828837558 /nfs/dbraw/zinc/83/75/58/828837558.db2.gz GPYFPABJQJZRBL-WFASDCNBSA-N 2 2 270.336 1.466 20 30 CDEDLP CC#CC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001071689985 828890183 /nfs/dbraw/zinc/89/01/83/828890183.db2.gz SPUQMWVTAMBUMD-UKRRQHHQSA-N 2 2 288.395 1.184 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001043075177 833336815 /nfs/dbraw/zinc/33/68/15/833336815.db2.gz WXRZOLKSVHEAJJ-GDBMZVCRSA-N 2 2 289.423 1.169 20 30 CDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043075177 833336820 /nfs/dbraw/zinc/33/68/20/833336820.db2.gz WXRZOLKSVHEAJJ-GDBMZVCRSA-N 2 2 289.423 1.169 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001036312963 829205574 /nfs/dbraw/zinc/20/55/74/829205574.db2.gz IAJSNYVDLXAQDS-AAEUAGOBSA-N 2 2 296.802 1.462 20 30 CDEDLP C=C(C)CONC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000845595276 829348274 /nfs/dbraw/zinc/34/82/74/829348274.db2.gz LHFLFADFBAVSHI-UHFFFAOYSA-N 2 2 298.431 1.162 20 30 CDEDLP C=C(C)CONC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000845595276 829348295 /nfs/dbraw/zinc/34/82/95/829348295.db2.gz LHFLFADFBAVSHI-UHFFFAOYSA-N 2 2 298.431 1.162 20 30 CDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038778581 829384638 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C=CCCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101068884 936955782 /nfs/dbraw/zinc/95/57/82/936955782.db2.gz CAZRTUJDRARBNT-UHFFFAOYSA-N 2 2 276.384 1.334 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001085438218 925962802 /nfs/dbraw/zinc/96/28/02/925962802.db2.gz AVCXVUPCYMBYSK-ZIAGYGMSSA-N 2 2 276.384 1.476 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676890 926267262 /nfs/dbraw/zinc/26/72/62/926267262.db2.gz ZXLAGBDJXJGYCM-ZIAGYGMSSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676890 926267271 /nfs/dbraw/zinc/26/72/71/926267271.db2.gz ZXLAGBDJXJGYCM-ZIAGYGMSSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085680429 926277434 /nfs/dbraw/zinc/27/74/34/926277434.db2.gz GQKPGFBJWZRGPY-UKRRQHHQSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085680429 926277442 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C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344866 937534379 /nfs/dbraw/zinc/53/43/79/937534379.db2.gz NUGATZSQLKQCEV-CYBMUJFWSA-N 2 2 298.818 1.771 20 30 CDEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955871 938681904 /nfs/dbraw/zinc/68/19/04/938681904.db2.gz WNNILAKYMREFSM-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955871 938681906 /nfs/dbraw/zinc/68/19/06/938681906.db2.gz WNNILAKYMREFSM-OAHLLOKOSA-N 2 2 290.411 1.772 20 30 CDEDLP N#Cc1ccc2c(c1)CC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209730571 940630943 /nfs/dbraw/zinc/63/09/43/940630943.db2.gz YJNYFGMDJHWCPR-UHFFFAOYSA-N 2 2 264.332 1.924 20 30 CDEDLP N#Cc1ccc2c(c1)CC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209730571 940630946 /nfs/dbraw/zinc/63/09/46/940630946.db2.gz YJNYFGMDJHWCPR-UHFFFAOYSA-N 2 2 264.332 1.924 20 30 CDEDLP Cc1noc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c1C#N ZINC001218502982 941225374 /nfs/dbraw/zinc/22/53/74/941225374.db2.gz KKWAZWIVFNGQJQ-LBPRGKRZSA-N 2 2 285.307 1.066 20 30 CDEDLP CC(C)(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc(C#N)cc1 ZINC001219986746 941402399 /nfs/dbraw/zinc/40/23/99/941402399.db2.gz HJFWRWRSRDTMMW-AWEZNQCLSA-N 2 2 297.362 1.203 20 30 CDEDLP CCc1cc(C#N)ccc1C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222514955 941607606 /nfs/dbraw/zinc/60/76/06/941607606.db2.gz FTMFGJMSACUZRO-ROUUACIJSA-N 2 2 298.434 1.646 20 30 CDEDLP CCc1cc(C#N)ccc1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222514955 941607607 /nfs/dbraw/zinc/60/76/07/941607607.db2.gz FTMFGJMSACUZRO-ROUUACIJSA-N 2 2 298.434 1.646 20 30 CDEDLP C[C@@H]([NH3+])C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001235632083 944227618 /nfs/dbraw/zinc/22/76/18/944227618.db2.gz IRCSVTUKGXBNIB-DYVFJYSZSA-N 2 2 298.390 1.334 20 30 CDEDLP C[C@@H]([NH3+])C[N@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001235632083 944227625 /nfs/dbraw/zinc/22/76/25/944227625.db2.gz IRCSVTUKGXBNIB-DYVFJYSZSA-N 2 2 298.390 1.334 20 30 CDEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246099720 947950959 /nfs/dbraw/zinc/95/09/59/947950959.db2.gz RVHVUVXKLWDLAU-KCPJHIHWSA-N 2 2 261.344 1.779 20 30 CDEDLP C=CCOC[C@@H](O)C[NH2+]CCSCc1[nH]c[nH+]c1C ZINC001252487890 951354161 /nfs/dbraw/zinc/35/41/61/951354161.db2.gz BCCAOLOSAIUNIL-LBPRGKRZSA-N 2 2 285.413 1.104 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(C)[nH+]c(C)c2)C1 ZINC001333034376 958031418 /nfs/dbraw/zinc/03/14/18/958031418.db2.gz ZXBIMEUXOVUIDF-CQSZACIVSA-N 2 2 286.379 1.339 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C)[nH+]c(C)c2)C1 ZINC001333034376 958031424 /nfs/dbraw/zinc/03/14/24/958031424.db2.gz ZXBIMEUXOVUIDF-CQSZACIVSA-N 2 2 286.379 1.339 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418799600 961041127 /nfs/dbraw/zinc/04/11/27/961041127.db2.gz YRAQVOLNCUWLDS-GFCCVEGCSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001418799600 961041152 /nfs/dbraw/zinc/04/11/52/961041152.db2.gz YRAQVOLNCUWLDS-GFCCVEGCSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001418799600 961041176 /nfs/dbraw/zinc/04/11/76/961041176.db2.gz YRAQVOLNCUWLDS-GFCCVEGCSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001418799600 961041192 /nfs/dbraw/zinc/04/11/92/961041192.db2.gz YRAQVOLNCUWLDS-GFCCVEGCSA-N 2 2 285.819 1.271 20 30 CDEDLP C=C[C@@H](COC)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC001323998068 961098402 /nfs/dbraw/zinc/09/84/02/961098402.db2.gz XIGFYZOYOTXMFM-ZDUSSCGKSA-N 2 2 284.400 1.195 20 30 CDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC(C)(C)C#N)C2)CC1 ZINC001361818422 970565025 /nfs/dbraw/zinc/56/50/25/970565025.db2.gz IJIFVAYFVRAINA-ZDUSSCGKSA-N 2 2 292.427 1.211 20 30 CDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC(C)(C)C#N)C2)CC1 ZINC001361818422 970565034 /nfs/dbraw/zinc/56/50/34/970565034.db2.gz IJIFVAYFVRAINA-ZDUSSCGKSA-N 2 2 292.427 1.211 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133194420 1163602737 /nfs/dbraw/zinc/60/27/37/1163602737.db2.gz FHOUFMBBUVTBDX-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP N#CCCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718784 342453665 /nfs/dbraw/zinc/45/36/65/342453665.db2.gz XWUVZIXDVZWTJT-OAHLLOKOSA-N 2 2 265.401 1.867 20 30 CDEDLP N#CCCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718784 342453666 /nfs/dbraw/zinc/45/36/66/342453666.db2.gz XWUVZIXDVZWTJT-OAHLLOKOSA-N 2 2 265.401 1.867 20 30 CDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000591581822 342637872 /nfs/dbraw/zinc/63/78/72/342637872.db2.gz XCKJYEGQWGUQJB-YDHLFZDLSA-N 2 2 259.328 1.835 20 30 CDEDLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCOCC1 ZINC000442789728 362091379 /nfs/dbraw/zinc/09/13/79/362091379.db2.gz ZAFORYSFTIVWDP-OLZOCXBDSA-N 2 2 251.374 1.379 20 30 CDEDLP COC1CC[NH+](CC[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602591297 344480066 /nfs/dbraw/zinc/48/00/66/344480066.db2.gz YOVSIXPUYOVQQC-ZDUSSCGKSA-N 2 2 253.390 1.627 20 30 CDEDLP C[C@@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000602871471 344641673 /nfs/dbraw/zinc/64/16/73/344641673.db2.gz RXIBRBPAXXYCGS-DZGCQCFKSA-N 2 2 288.395 1.297 20 30 CDEDLP C[NH+](C)CCCOc1cnccc1C[NH2+]CCC#N ZINC000573678016 334956783 /nfs/dbraw/zinc/95/67/83/334956783.db2.gz GBASLBWDYCSMLY-UHFFFAOYSA-N 2 2 262.357 1.415 20 30 CDEDLP CC#CC[C@@H](CO)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000641768760 365835764 /nfs/dbraw/zinc/83/57/64/365835764.db2.gz HHWCCUCGJDPIJO-ZDUSSCGKSA-N 2 2 257.337 1.507 20 30 CDEDLP C=C[C@@H](C(=O)OC)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000619722534 348215577 /nfs/dbraw/zinc/21/55/77/348215577.db2.gz LZFNLILJIKQIRK-ZDUSSCGKSA-N 2 2 279.384 1.885 20 30 CDEDLP C=CCNC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264093539 362965759 /nfs/dbraw/zinc/96/57/59/362965759.db2.gz LTXWALKYHZFQDG-UHFFFAOYSA-N 2 2 257.341 1.586 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264117769 362972127 /nfs/dbraw/zinc/97/21/27/362972127.db2.gz TWYVGRFCAZIBRC-ZYHUDNBSSA-N 2 2 284.429 1.290 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337237253 360049935 /nfs/dbraw/zinc/04/99/35/360049935.db2.gz YNPXHHMCHMGUCN-AWEZNQCLSA-N 2 2 280.416 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337237253 360049938 /nfs/dbraw/zinc/04/99/38/360049938.db2.gz YNPXHHMCHMGUCN-AWEZNQCLSA-N 2 2 280.416 1.165 20 30 CDEDLP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000087823676 361678720 /nfs/dbraw/zinc/67/87/20/361678720.db2.gz SQANHWLEUHKDBZ-LBPRGKRZSA-N 2 2 270.336 1.942 20 30 CDEDLP CC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000581526816 363998199 /nfs/dbraw/zinc/99/81/99/363998199.db2.gz VINUKRFEMBWZFD-HNNXBMFYSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000581526816 363998205 /nfs/dbraw/zinc/99/82/05/363998205.db2.gz VINUKRFEMBWZFD-HNNXBMFYSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000581526816 363998210 /nfs/dbraw/zinc/99/82/10/363998210.db2.gz VINUKRFEMBWZFD-HNNXBMFYSA-N 2 2 261.369 1.303 20 30 CDEDLP CC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000581526816 363998215 /nfs/dbraw/zinc/99/82/15/363998215.db2.gz VINUKRFEMBWZFD-HNNXBMFYSA-N 2 2 261.369 1.303 20 30 CDEDLP C=CCNC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860053 369470784 /nfs/dbraw/zinc/47/07/84/369470784.db2.gz NQMTWSFXSJPFCY-CYBMUJFWSA-N 2 2 253.390 1.095 20 30 CDEDLP C=CCNC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860053 369470787 /nfs/dbraw/zinc/47/07/87/369470787.db2.gz NQMTWSFXSJPFCY-CYBMUJFWSA-N 2 2 253.390 1.095 20 30 CDEDLP C=CCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860053 369470789 /nfs/dbraw/zinc/47/07/89/369470789.db2.gz NQMTWSFXSJPFCY-CYBMUJFWSA-N 2 2 253.390 1.095 20 30 CDEDLP C=CCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860053 369470793 /nfs/dbraw/zinc/47/07/93/369470793.db2.gz NQMTWSFXSJPFCY-CYBMUJFWSA-N 2 2 253.390 1.095 20 30 CDEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000330884362 203352140 /nfs/dbraw/zinc/35/21/40/203352140.db2.gz PNSDMYXTACUIKM-SWLSCSKDSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000330884362 203352144 /nfs/dbraw/zinc/35/21/44/203352144.db2.gz PNSDMYXTACUIKM-SWLSCSKDSA-N 2 2 259.353 1.275 20 30 CDEDLP N#Cc1csc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000332336109 375028562 /nfs/dbraw/zinc/02/85/62/375028562.db2.gz RCJJKWAKKPYAGX-LBPRGKRZSA-N 2 2 265.382 1.166 20 30 CDEDLP CC[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC000328866720 375991748 /nfs/dbraw/zinc/99/17/48/375991748.db2.gz WUZBOWMWRXCJJI-UHFFFAOYSA-N 2 2 264.373 1.794 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281312621 377997897 /nfs/dbraw/zinc/99/78/97/377997897.db2.gz KPKBSCKMJMPRDF-MRXNPFEDSA-N 2 2 293.455 1.993 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281312621 377997900 /nfs/dbraw/zinc/99/79/00/377997900.db2.gz KPKBSCKMJMPRDF-MRXNPFEDSA-N 2 2 293.455 1.993 20 30 CDEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)C[NH+]1CCOCC1 ZINC000174417702 379474706 /nfs/dbraw/zinc/47/47/06/379474706.db2.gz OTHBYLFYGRVDDF-CQSZACIVSA-N 2 2 267.417 1.874 20 30 CDEDLP COCCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000058159587 390497995 /nfs/dbraw/zinc/49/79/95/390497995.db2.gz ULLNOIJJMAECCZ-ZDUSSCGKSA-N 2 2 294.399 1.357 20 30 CDEDLP CC(C)CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000104153768 390484936 /nfs/dbraw/zinc/48/49/36/390484936.db2.gz ILZMLNPOWBVOCR-CQSZACIVSA-N 2 2 262.401 1.850 20 30 CDEDLP CCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000108351956 390607588 /nfs/dbraw/zinc/60/75/88/390607588.db2.gz IWCQSXVFFAFVAO-UHFFFAOYSA-N 2 2 290.411 1.503 20 30 CDEDLP C[C@@H]1C[NH+](CC2CC[NH+](CCC#N)CC2)C[C@@H](C)O1 ZINC000373076158 391104633 /nfs/dbraw/zinc/10/46/33/391104633.db2.gz HLUJOAZKAZELRY-ZIAGYGMSSA-N 2 2 265.401 1.721 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000336253154 391115895 /nfs/dbraw/zinc/11/58/95/391115895.db2.gz RIZMNFTUXGYOTC-ZBFHGGJFSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000336253154 391115898 /nfs/dbraw/zinc/11/58/98/391115898.db2.gz RIZMNFTUXGYOTC-ZBFHGGJFSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000336253154 391115900 /nfs/dbraw/zinc/11/59/00/391115900.db2.gz RIZMNFTUXGYOTC-ZBFHGGJFSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000336253154 391115902 /nfs/dbraw/zinc/11/59/02/391115902.db2.gz RIZMNFTUXGYOTC-ZBFHGGJFSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CCNC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267230638 391190074 /nfs/dbraw/zinc/19/00/74/391190074.db2.gz AJMPPSCZEUOZOP-UHFFFAOYSA-N 2 2 264.348 1.348 20 30 CDEDLP C=CCNC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267230638 391190078 /nfs/dbraw/zinc/19/00/78/391190078.db2.gz AJMPPSCZEUOZOP-UHFFFAOYSA-N 2 2 264.348 1.348 20 30 CDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C[N@@H+]1C1CC1 ZINC000191301668 130219289 /nfs/dbraw/zinc/21/92/89/130219289.db2.gz IRNFYUGOGCZZOL-YPMHNXCESA-N 2 2 258.369 1.612 20 30 CDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C[N@H+]1C1CC1 ZINC000191301668 130219292 /nfs/dbraw/zinc/21/92/92/130219292.db2.gz IRNFYUGOGCZZOL-YPMHNXCESA-N 2 2 258.369 1.612 20 30 CDEDLP N#Cc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000037749293 173671183 /nfs/dbraw/zinc/67/11/83/173671183.db2.gz LBRQRCWXATXIJE-HNNXBMFYSA-N 2 2 259.353 1.105 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000264120123 262875652 /nfs/dbraw/zinc/87/56/52/262875652.db2.gz QXOLSVQIIMLEJN-GHMZBOCLSA-N 2 2 284.429 1.290 20 30 CDEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000331208763 264162016 /nfs/dbraw/zinc/16/20/16/264162016.db2.gz ZXWRQNVXQNAVBI-GJZGRUSLSA-N 2 2 292.427 1.165 20 30 CDEDLP COC[C@@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCC[NH2+]1 ZINC000423423392 274047147 /nfs/dbraw/zinc/04/71/47/274047147.db2.gz ZLBJQANYMIGXRE-IRXDYDNUSA-N 2 2 285.391 1.904 20 30 CDEDLP C=CCNC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535574405 328594319 /nfs/dbraw/zinc/59/43/19/328594319.db2.gz HZLHPRWEJZXGSU-UHFFFAOYSA-N 2 2 274.368 1.260 20 30 CDEDLP C=CC[N@@H+](CC[NH3+])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000262965366 330037836 /nfs/dbraw/zinc/03/78/36/330037836.db2.gz LDPCCKNTUKLBJQ-GFCCVEGCSA-N 2 2 272.356 1.170 20 30 CDEDLP C=CC[N@H+](CC[NH3+])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000262965366 330037838 /nfs/dbraw/zinc/03/78/38/330037838.db2.gz LDPCCKNTUKLBJQ-GFCCVEGCSA-N 2 2 272.356 1.170 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422979617 330162600 /nfs/dbraw/zinc/16/26/00/330162600.db2.gz NFTJTQNCMRPWHQ-DZGCQCFKSA-N 3 2 251.418 1.744 20 30 CDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CCC#N ZINC000423136454 330172177 /nfs/dbraw/zinc/17/21/77/330172177.db2.gz ZGCXVVDLKFIHLT-OLZOCXBDSA-N 2 2 253.390 1.673 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)nn1 ZINC000424294959 330335853 /nfs/dbraw/zinc/33/58/53/330335853.db2.gz MAQWJUWMFXSFQF-GXTWGEPZSA-N 2 2 263.389 1.284 20 30 CDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)nn1 ZINC000424294959 330335854 /nfs/dbraw/zinc/33/58/54/330335854.db2.gz MAQWJUWMFXSFQF-GXTWGEPZSA-N 2 2 263.389 1.284 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)CC1 ZINC000491037910 332141462 /nfs/dbraw/zinc/14/14/62/332141462.db2.gz HALHSBLEQJMGOX-CYBMUJFWSA-N 2 2 274.368 1.322 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)OCc2c[nH+]ccc2OC)CC1 ZINC000491141914 332155310 /nfs/dbraw/zinc/15/53/10/332155310.db2.gz BZRXMJSEFQPNRK-UHFFFAOYSA-N 2 2 288.347 1.479 20 30 CDEDLP C#CC[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491631137 332253644 /nfs/dbraw/zinc/25/36/44/332253644.db2.gz QAMTWEXEOAZVDD-AWEZNQCLSA-N 2 2 271.364 1.579 20 30 CDEDLP C#CC[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491631137 332253645 /nfs/dbraw/zinc/25/36/45/332253645.db2.gz QAMTWEXEOAZVDD-AWEZNQCLSA-N 2 2 271.364 1.579 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001754495139 1159245507 /nfs/dbraw/zinc/24/55/07/1159245507.db2.gz GFPPUUIURHWBPL-AWEZNQCLSA-N 2 2 290.411 1.773 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001754495139 1159245513 /nfs/dbraw/zinc/24/55/13/1159245513.db2.gz GFPPUUIURHWBPL-AWEZNQCLSA-N 2 2 290.411 1.773 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000675828620 483373472 /nfs/dbraw/zinc/37/34/72/483373472.db2.gz VOOVYMPPSHZWIU-AWEZNQCLSA-N 3 2 265.445 1.957 20 30 CDEDLP C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cccc2[nH+]ccn21 ZINC000753940745 576867982 /nfs/dbraw/zinc/86/79/82/576867982.db2.gz VIEBXBIKPCPOLG-CHWSQXEVSA-N 2 2 282.351 1.528 20 30 CDEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977658874 613282287 /nfs/dbraw/zinc/28/22/87/613282287.db2.gz VNXVEMNRPMVPGH-HUUCEWRRSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977658874 613282288 /nfs/dbraw/zinc/28/22/88/613282288.db2.gz VNXVEMNRPMVPGH-HUUCEWRRSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658874 613282290 /nfs/dbraw/zinc/28/22/90/613282290.db2.gz VNXVEMNRPMVPGH-HUUCEWRRSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658874 613282291 /nfs/dbraw/zinc/28/22/91/613282291.db2.gz VNXVEMNRPMVPGH-HUUCEWRRSA-N 2 2 291.439 1.321 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948090609 613328296 /nfs/dbraw/zinc/32/82/96/613328296.db2.gz LXNGEOVHJSMGBN-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948090609 613328298 /nfs/dbraw/zinc/32/82/98/613328298.db2.gz LXNGEOVHJSMGBN-UONOGXRCSA-N 2 2 276.384 1.428 20 30 CDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970365361 613371505 /nfs/dbraw/zinc/37/15/05/613371505.db2.gz ANBRJMAHWUTMSG-GFCCVEGCSA-N 2 2 299.846 1.517 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000950501162 613654427 /nfs/dbraw/zinc/65/44/27/613654427.db2.gz REYSXGCEBLCCDY-OAHLLOKOSA-N 2 2 293.455 1.683 20 30 CDEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000950501162 613654429 /nfs/dbraw/zinc/65/44/29/613654429.db2.gz REYSXGCEBLCCDY-OAHLLOKOSA-N 2 2 293.455 1.683 20 30 CDEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948811998 613701214 /nfs/dbraw/zinc/70/12/14/613701214.db2.gz CWZNUMKCSPPSAA-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948811998 613701216 /nfs/dbraw/zinc/70/12/16/613701216.db2.gz CWZNUMKCSPPSAA-CQSZACIVSA-N 2 2 276.384 1.451 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948087150 613783323 /nfs/dbraw/zinc/78/33/23/613783323.db2.gz XSRHNJUNCLIZNZ-OLZOCXBDSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948087150 613783324 /nfs/dbraw/zinc/78/33/24/613783324.db2.gz XSRHNJUNCLIZNZ-OLZOCXBDSA-N 2 2 262.357 1.038 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)[C@@H]2OC)CC1 ZINC000892881218 617857407 /nfs/dbraw/zinc/85/74/07/617857407.db2.gz RXUDQZJIRPJKBB-RRFJBIMHSA-N 2 2 268.401 1.419 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(=O)OC)c(CC)o1 ZINC000894863449 619107081 /nfs/dbraw/zinc/10/70/81/619107081.db2.gz CMJVLWKRBRXGLA-UHFFFAOYSA-N 2 2 292.379 1.673 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(=O)OC)c(CC)o1 ZINC000894863449 619107082 /nfs/dbraw/zinc/10/70/82/619107082.db2.gz CMJVLWKRBRXGLA-UHFFFAOYSA-N 2 2 292.379 1.673 20 30 CDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001755686726 1160486382 /nfs/dbraw/zinc/48/63/82/1160486382.db2.gz OZORCZPYLXKRAT-TZMCWYRMSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222493 1163202495 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CDEDLP C[NH+](C[C@H](O)CC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000809574215 840871986 /nfs/dbraw/zinc/87/19/86/840871986.db2.gz GSDNAKUOKKAAQP-IAGOWNOFSA-N 2 2 287.407 1.715 20 30 CDEDLP C[NH+](C[C@H](O)CC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809574215 840871987 /nfs/dbraw/zinc/87/19/87/840871987.db2.gz GSDNAKUOKKAAQP-IAGOWNOFSA-N 2 2 287.407 1.715 20 30 CDEDLP C#CC[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001026527263 841243948 /nfs/dbraw/zinc/24/39/48/841243948.db2.gz HFRYTENWEWRDNC-UHFFFAOYSA-N 2 2 296.374 1.598 20 30 CDEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023485812 841412619 /nfs/dbraw/zinc/41/26/19/841412619.db2.gz GKTYSWKVQIBEFS-CQSZACIVSA-N 2 2 298.390 1.962 20 30 CDEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023485812 841412653 /nfs/dbraw/zinc/41/26/53/841412653.db2.gz GKTYSWKVQIBEFS-CQSZACIVSA-N 2 2 298.390 1.962 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605516 841462964 /nfs/dbraw/zinc/46/29/64/841462964.db2.gz WHNGICUUJZNDSM-YNEHKIRRSA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605516 841462981 /nfs/dbraw/zinc/46/29/81/841462981.db2.gz WHNGICUUJZNDSM-YNEHKIRRSA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028605516 841462994 /nfs/dbraw/zinc/46/29/94/841462994.db2.gz WHNGICUUJZNDSM-YNEHKIRRSA-N 2 2 274.368 1.137 20 30 CDEDLP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028605516 841462998 /nfs/dbraw/zinc/46/29/98/841462998.db2.gz WHNGICUUJZNDSM-YNEHKIRRSA-N 2 2 274.368 1.137 20 30 CDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001032413353 841581511 /nfs/dbraw/zinc/58/15/11/841581511.db2.gz GGIDACNQKBCAQQ-YHUYYLMFSA-N 2 2 289.423 1.025 20 30 CDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001032413353 841581518 /nfs/dbraw/zinc/58/15/18/841581518.db2.gz GGIDACNQKBCAQQ-YHUYYLMFSA-N 2 2 289.423 1.025 20 30 CDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001032413353 841581531 /nfs/dbraw/zinc/58/15/31/841581531.db2.gz GGIDACNQKBCAQQ-YHUYYLMFSA-N 2 2 289.423 1.025 20 30 CDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001032413353 841581547 /nfs/dbraw/zinc/58/15/47/841581547.db2.gz GGIDACNQKBCAQQ-YHUYYLMFSA-N 2 2 289.423 1.025 20 30 CDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022691131 841671280 /nfs/dbraw/zinc/67/12/80/841671280.db2.gz PEHJTFILDOGIRT-FRRDWIJNSA-N 2 2 288.395 1.643 20 30 CDEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547292 841861642 /nfs/dbraw/zinc/86/16/42/841861642.db2.gz OYDNPVGOHWIWOH-AWEZNQCLSA-N 2 2 276.384 1.430 20 30 CDEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547292 841861644 /nfs/dbraw/zinc/86/16/44/841861644.db2.gz OYDNPVGOHWIWOH-AWEZNQCLSA-N 2 2 276.384 1.430 20 30 CDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001034664752 841898635 /nfs/dbraw/zinc/89/86/35/841898635.db2.gz OPOKPYSAJPYJFQ-AAVRWANBSA-N 2 2 288.395 1.716 20 30 CDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001034664752 841898637 /nfs/dbraw/zinc/89/86/37/841898637.db2.gz OPOKPYSAJPYJFQ-AAVRWANBSA-N 2 2 288.395 1.716 20 30 CDEDLP C[NH+]1CCN(C2CC[NH+](Cc3cccc(C#N)n3)CC2)CC1 ZINC000877746052 841924799 /nfs/dbraw/zinc/92/47/99/841924799.db2.gz GEFGAJYIFVHTKB-UHFFFAOYSA-N 2 2 299.422 1.165 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000988931625 841984510 /nfs/dbraw/zinc/98/45/10/841984510.db2.gz AYGUCFGFGXSWRH-TZMCWYRMSA-N 2 2 276.384 1.497 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000988931625 841984513 /nfs/dbraw/zinc/98/45/13/841984513.db2.gz AYGUCFGFGXSWRH-TZMCWYRMSA-N 2 2 276.384 1.497 20 30 CDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCO1 ZINC000775575069 842082385 /nfs/dbraw/zinc/08/23/85/842082385.db2.gz UOCXVUDKOQRJOE-CVEARBPZSA-N 2 2 262.397 1.631 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001072029120 842576205 /nfs/dbraw/zinc/57/62/05/842576205.db2.gz FZXBVVMRLVZPHT-JSGCOSHPSA-N 2 2 290.411 1.806 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001072029120 842576214 /nfs/dbraw/zinc/57/62/14/842576214.db2.gz FZXBVVMRLVZPHT-JSGCOSHPSA-N 2 2 290.411 1.806 20 30 CDEDLP COc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1C#N ZINC000819182149 842884383 /nfs/dbraw/zinc/88/43/83/842884383.db2.gz JFGGDKMGQRDPNS-HNNXBMFYSA-N 2 2 289.379 1.112 20 30 CDEDLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1C#N ZINC000819182149 842884387 /nfs/dbraw/zinc/88/43/87/842884387.db2.gz JFGGDKMGQRDPNS-HNNXBMFYSA-N 2 2 289.379 1.112 20 30 CDEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462666 913616068 /nfs/dbraw/zinc/61/60/68/913616068.db2.gz UUFZJDXAGRKRPU-CYBMUJFWSA-N 2 2 278.400 1.793 20 30 CDEDLP C#CC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168476519 913796031 /nfs/dbraw/zinc/79/60/31/913796031.db2.gz ZAYGRGBUDVXNON-UHFFFAOYSA-N 2 2 288.395 1.173 20 30 CDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704761 914167411 /nfs/dbraw/zinc/16/74/11/914167411.db2.gz BQSHMWFKXHWXAL-ZIAGYGMSSA-N 2 2 290.411 1.603 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351798 914636138 /nfs/dbraw/zinc/63/61/38/914636138.db2.gz RPIKYLLXPXGGAZ-UHFFFAOYSA-N 2 2 264.373 1.335 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390352 907092496 /nfs/dbraw/zinc/09/24/96/907092496.db2.gz LTMVABPARAKGAD-CQSZACIVSA-N 2 2 290.411 1.889 20 30 CDEDLP C=CCCC[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001203337096 911005315 /nfs/dbraw/zinc/00/53/15/911005315.db2.gz FDGMBJLEEUPQBA-UHFFFAOYSA-N 2 2 290.411 1.509 20 30 CDEDLP N#Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1F ZINC001206165138 911744585 /nfs/dbraw/zinc/74/45/85/911744585.db2.gz MEUNZXRLHXVWCP-UONOGXRCSA-N 2 2 265.307 1.959 20 30 CDEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1F ZINC001206165138 911744592 /nfs/dbraw/zinc/74/45/92/911744592.db2.gz MEUNZXRLHXVWCP-UONOGXRCSA-N 2 2 265.307 1.959 20 30 CDEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206186462 912124315 /nfs/dbraw/zinc/12/43/15/912124315.db2.gz QSLNQFJFRBJMMP-ZIAGYGMSSA-N 2 2 277.343 1.828 20 30 CDEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206186462 912124321 /nfs/dbraw/zinc/12/43/21/912124321.db2.gz QSLNQFJFRBJMMP-ZIAGYGMSSA-N 2 2 277.343 1.828 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178853939 915664240 /nfs/dbraw/zinc/66/42/40/915664240.db2.gz ZVIWTHGYAOSLRL-ZFWWWQNUSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178853939 915664244 /nfs/dbraw/zinc/66/42/44/915664244.db2.gz ZVIWTHGYAOSLRL-ZFWWWQNUSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576247 920084837 /nfs/dbraw/zinc/08/48/37/920084837.db2.gz NXZYIMMPWCSDRJ-QWHCGFSZSA-N 2 2 276.384 1.497 20 30 CDEDLP N#CCCN1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140803278 936758050 /nfs/dbraw/zinc/75/80/50/936758050.db2.gz MNAANIXPIKUHNY-UHFFFAOYSA-N 2 2 269.352 1.594 20 30 CDEDLP C#CC[NH+](CC#C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974770 936785539 /nfs/dbraw/zinc/78/55/39/936785539.db2.gz KKLHWZMXGSMPLG-UHFFFAOYSA-N 2 2 281.403 1.507 20 30 CDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080441612 924567462 /nfs/dbraw/zinc/56/74/62/924567462.db2.gz SJIFTWIIIHBCNS-KWCYVHTRSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080441612 924567472 /nfs/dbraw/zinc/56/74/72/924567472.db2.gz SJIFTWIIIHBCNS-KWCYVHTRSA-N 2 2 299.846 1.660 20 30 CDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001080441612 924567482 /nfs/dbraw/zinc/56/74/82/924567482.db2.gz SJIFTWIIIHBCNS-KWCYVHTRSA-N 2 2 299.846 1.660 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001080539530 924592466 /nfs/dbraw/zinc/59/24/66/924592466.db2.gz KPRJOVDGCTWNJX-ZIAGYGMSSA-N 2 2 288.395 1.076 20 30 CDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001080539530 924592470 /nfs/dbraw/zinc/59/24/70/924592470.db2.gz KPRJOVDGCTWNJX-ZIAGYGMSSA-N 2 2 288.395 1.076 20 30 CDEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001082772632 924994668 /nfs/dbraw/zinc/99/46/68/924994668.db2.gz WYXFVZQVWBFATJ-MGPQQGTHSA-N 2 2 276.384 1.457 20 30 CDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198368201 925405108 /nfs/dbraw/zinc/40/51/08/925405108.db2.gz SHMJBWVNSVWUMM-UHFFFAOYSA-N 2 2 290.411 1.774 20 30 CDEDLP C=C(C)C[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198368201 925405110 /nfs/dbraw/zinc/40/51/10/925405110.db2.gz SHMJBWVNSVWUMM-UHFFFAOYSA-N 2 2 290.411 1.774 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205927 937045449 /nfs/dbraw/zinc/04/54/49/937045449.db2.gz CWNOFUZLHINXKK-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205927 937045452 /nfs/dbraw/zinc/04/54/52/937045452.db2.gz CWNOFUZLHINXKK-HUUCEWRRSA-N 2 2 290.411 1.533 20 30 CDEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134731959 929883613 /nfs/dbraw/zinc/88/36/13/929883613.db2.gz ARWXOCMZZMPPGS-VXGBXAGGSA-N 2 2 284.363 1.683 20 30 CDEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031228 930611760 /nfs/dbraw/zinc/61/17/60/930611760.db2.gz HPUZETQEPOBALV-RYUDHWBXSA-N 2 2 276.384 1.157 20 30 CDEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136057387 930629847 /nfs/dbraw/zinc/62/98/47/930629847.db2.gz XUHKDDQRZJOFTD-ZIAGYGMSSA-N 2 2 290.411 1.249 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170994790 931186223 /nfs/dbraw/zinc/18/62/23/931186223.db2.gz NBXXJQFDXHSMCX-UHFFFAOYSA-N 2 2 299.378 1.553 20 30 CDEDLP C=CCn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC001275381513 931760666 /nfs/dbraw/zinc/76/06/66/931760666.db2.gz WKNLIJGRYAFIIH-INIZCTEOSA-N 2 2 274.412 1.987 20 30 CDEDLP C=CCn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC001275381513 931760672 /nfs/dbraw/zinc/76/06/72/931760672.db2.gz WKNLIJGRYAFIIH-INIZCTEOSA-N 2 2 274.412 1.987 20 30 CDEDLP C=CCn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC001275381513 931760680 /nfs/dbraw/zinc/76/06/80/931760680.db2.gz WKNLIJGRYAFIIH-INIZCTEOSA-N 2 2 274.412 1.987 20 30 CDEDLP C=CCn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC001275381513 931760683 /nfs/dbraw/zinc/76/06/83/931760683.db2.gz WKNLIJGRYAFIIH-INIZCTEOSA-N 2 2 274.412 1.987 20 30 CDEDLP Cc1[nH+]c(N[C@@H](C)CN2CC[NH2+]CC2)ccc1CC#N ZINC001154753825 937582664 /nfs/dbraw/zinc/58/26/64/937582664.db2.gz UKWJOMXEFIFOLI-LBPRGKRZSA-N 2 2 273.384 1.162 20 30 CDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001097343024 936294354 /nfs/dbraw/zinc/29/43/54/936294354.db2.gz DQCBLAVZLXVBOU-WCVJEAGWSA-N 2 2 289.423 1.216 20 30 CDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001097343024 936294358 /nfs/dbraw/zinc/29/43/58/936294358.db2.gz DQCBLAVZLXVBOU-WCVJEAGWSA-N 2 2 289.423 1.216 20 30 CDEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001097343024 936294360 /nfs/dbraw/zinc/29/43/60/936294360.db2.gz DQCBLAVZLXVBOU-WCVJEAGWSA-N 2 2 289.423 1.216 20 30 CDEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001097343024 936294363 /nfs/dbraw/zinc/29/43/63/936294363.db2.gz DQCBLAVZLXVBOU-WCVJEAGWSA-N 2 2 289.423 1.216 20 30 CDEDLP Cc1nc(C#N)cnc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001156184967 938330390 /nfs/dbraw/zinc/33/03/90/938330390.db2.gz KRBHRZIIIHDWFB-UHFFFAOYSA-N 2 2 288.399 1.095 20 30 CDEDLP C[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)[C@H]1C[NH2+]CCO1 ZINC001159498479 938734924 /nfs/dbraw/zinc/73/49/24/938734924.db2.gz QVUJAUQYQVOPEZ-XHDPSFHLSA-N 2 2 282.347 1.895 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161310290 938886577 /nfs/dbraw/zinc/88/65/77/938886577.db2.gz SVHHZSDJRLSCRJ-AWEZNQCLSA-N 2 2 290.411 1.508 20 30 CDEDLP N#CC1(c2cc[nH+]c(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)c2)CC1 ZINC001163316619 939245406 /nfs/dbraw/zinc/24/54/06/939245406.db2.gz QLYFRGDPYONXLX-RHSMWYFYSA-N 2 2 298.390 1.960 20 30 CDEDLP C#C[C@H]1CCCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001167006760 939670292 /nfs/dbraw/zinc/67/02/92/939670292.db2.gz VSYFHNOEFKLWAM-AWEZNQCLSA-N 2 2 270.380 1.341 20 30 CDEDLP CC#CC[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898292 940108925 /nfs/dbraw/zinc/10/89/25/940108925.db2.gz KZYJCHVNZSUPDY-UHFFFAOYSA-N 2 2 288.395 1.112 20 30 CDEDLP Cn1cc(C[N@H+]2CCc3[nH+]ccn3CC2)cc1C#N ZINC001207109833 940151966 /nfs/dbraw/zinc/15/19/66/940151966.db2.gz WARSLVYCPLNUJG-UHFFFAOYSA-N 2 2 255.325 1.152 20 30 CDEDLP Cn1cc(C[N@@H+]2CCc3[nH+]ccn3CC2)cc1C#N ZINC001207109833 940151968 /nfs/dbraw/zinc/15/19/68/940151968.db2.gz WARSLVYCPLNUJG-UHFFFAOYSA-N 2 2 255.325 1.152 20 30 CDEDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001276607679 940422610 /nfs/dbraw/zinc/42/26/10/940422610.db2.gz AOYAHJXDGKQBEO-AGUYFDCRSA-N 2 2 258.369 1.612 20 30 CDEDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001276607679 940422613 /nfs/dbraw/zinc/42/26/13/940422613.db2.gz AOYAHJXDGKQBEO-AGUYFDCRSA-N 2 2 258.369 1.612 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210845929 940717068 /nfs/dbraw/zinc/71/70/68/940717068.db2.gz DBKVOOPSBKQGNF-AWEZNQCLSA-N 2 2 290.411 1.807 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216061103 940919011 /nfs/dbraw/zinc/91/90/11/940919011.db2.gz AZWZXYMFOCBWPM-HZSPNIEDSA-N 2 2 290.411 1.743 20 30 CDEDLP Cc1cc(C#N)c(F)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219112748 941309836 /nfs/dbraw/zinc/30/98/36/941309836.db2.gz UDPJSZIFDRJKGX-JMSVASOKSA-N 2 2 288.326 1.166 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227848315 942237437 /nfs/dbraw/zinc/23/74/37/942237437.db2.gz KEXDVTYFZFFPPN-HUUCEWRRSA-N 2 2 290.411 1.866 20 30 CDEDLP C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4[nH]c(N)[nH+]c4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230515255 942629126 /nfs/dbraw/zinc/62/91/26/942629126.db2.gz HVVOLLVLJZCLHO-UBYSCORNSA-N 2 2 286.335 1.136 20 30 CDEDLP C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4[nH]c(N)[nH+]c4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230515255 942629129 /nfs/dbraw/zinc/62/91/29/942629129.db2.gz HVVOLLVLJZCLHO-UBYSCORNSA-N 2 2 286.335 1.136 20 30 CDEDLP Cc1ccc(C[N@H+](C)CCN2CC[NH+](C)CC2)c(C#N)c1 ZINC001232967756 943448014 /nfs/dbraw/zinc/44/80/14/943448014.db2.gz UTGLFCQHMCTLLL-UHFFFAOYSA-N 2 2 286.423 1.546 20 30 CDEDLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]CCC#N)(C1)CCC2 ZINC001277938558 944130231 /nfs/dbraw/zinc/13/02/31/944130231.db2.gz AJEIGCMEKHKOKQ-CABCVRRESA-N 2 2 281.400 1.545 20 30 CDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235631398 944225586 /nfs/dbraw/zinc/22/55/86/944225586.db2.gz CBHJRTWOHDHZPN-IHRRRGAJSA-N 2 2 254.374 1.160 20 30 CDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@H](C)[NH3+])C2 ZINC001235631398 944225590 /nfs/dbraw/zinc/22/55/90/944225590.db2.gz CBHJRTWOHDHZPN-IHRRRGAJSA-N 2 2 254.374 1.160 20 30 CDEDLP CCC[NH+]1CCC([NH2+][C@H](C(=O)NO)[C@@H](C)CC)CC1 ZINC001258771587 945411072 /nfs/dbraw/zinc/41/10/72/945411072.db2.gz KWGJRBGNDJFDQT-AAEUAGOBSA-N 2 2 271.405 1.371 20 30 CDEDLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001255954868 948137427 /nfs/dbraw/zinc/13/74/27/948137427.db2.gz JPKBHGOMZIUNTD-OLZOCXBDSA-N 2 2 273.421 1.617 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@@H+]([C@H]3CC[NH2+][C@@H](C)C3)C2)C1=O ZINC001246704258 948410401 /nfs/dbraw/zinc/41/04/01/948410401.db2.gz PXFWSGCXEFTQIM-ZOBUZTSGSA-N 2 2 291.439 1.627 20 30 CDEDLP C=CCN1CC[C@]2(CCC[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)C2)C1=O ZINC001246704258 948410405 /nfs/dbraw/zinc/41/04/05/948410405.db2.gz PXFWSGCXEFTQIM-ZOBUZTSGSA-N 2 2 291.439 1.627 20 30 CDEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001252470737 951320769 /nfs/dbraw/zinc/32/07/69/951320769.db2.gz OKVLIGQEVNKQCH-HNNXBMFYSA-N 2 2 268.401 1.109 20 30 CDEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001252470737 951320782 /nfs/dbraw/zinc/32/07/82/951320782.db2.gz OKVLIGQEVNKQCH-HNNXBMFYSA-N 2 2 268.401 1.109 20 30 CDEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001328661800 955399743 /nfs/dbraw/zinc/39/97/43/955399743.db2.gz KSAREXAKVIZYET-AWEZNQCLSA-N 2 2 290.411 1.807 20 30 CDEDLP C[NH+]1CCN(c2ccc(C=[NH+]N3CCC3)cc2F)CC1 ZINC001329670905 956053605 /nfs/dbraw/zinc/05/36/05/956053605.db2.gz AVGLMDHPNSOJFU-UHFFFAOYSA-N 2 2 276.359 1.617 20 30 CDEDLP C=CC[NH+]1CCC(Nc2cc(N(C)C)[nH+]cn2)CC1 ZINC001334155232 958888406 /nfs/dbraw/zinc/88/84/06/958888406.db2.gz MCRYNOSZHUHYEE-UHFFFAOYSA-N 2 2 261.373 1.605 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001438226337 963373660 /nfs/dbraw/zinc/37/36/60/963373660.db2.gz DUONLMWIUQONKQ-CQSZACIVSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001438226337 963373664 /nfs/dbraw/zinc/37/36/64/963373664.db2.gz DUONLMWIUQONKQ-CQSZACIVSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001438226337 963373666 /nfs/dbraw/zinc/37/36/66/963373666.db2.gz DUONLMWIUQONKQ-CQSZACIVSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001438226337 963373673 /nfs/dbraw/zinc/37/36/73/963373673.db2.gz DUONLMWIUQONKQ-CQSZACIVSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001417798039 973392333 /nfs/dbraw/zinc/39/23/33/973392333.db2.gz ONHDLHKNKDPOPP-XYPYZODXSA-N 2 2 282.775 1.189 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001376612784 974696899 /nfs/dbraw/zinc/69/68/99/974696899.db2.gz SUBLUMMMLRPFJW-GFCCVEGCSA-N 2 2 296.802 1.675 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001388733090 975574206 /nfs/dbraw/zinc/57/42/06/975574206.db2.gz TVDMJOBHZQYKRZ-XYPYZODXSA-N 2 2 282.775 1.189 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001406068928 975996850 /nfs/dbraw/zinc/99/68/50/975996850.db2.gz WEWIYKAUDSTTHT-LBPRGKRZSA-N 2 2 284.791 1.435 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001380292115 976335865 /nfs/dbraw/zinc/33/58/65/976335865.db2.gz NRDVIJNQPGKYMT-LBPRGKRZSA-N 2 2 296.802 1.296 20 30 CDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001382346262 977258150 /nfs/dbraw/zinc/25/81/50/977258150.db2.gz JDHFFTFVBAAYEY-NEPJUHHUSA-N 2 2 296.802 1.579 20 30 CDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133197078 1163604083 /nfs/dbraw/zinc/60/40/83/1163604083.db2.gz YISJSJGOMDHNFC-KGLIPLIRSA-N 2 2 290.411 1.603 20 30 CDEDLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000589258953 342502170 /nfs/dbraw/zinc/50/21/70/342502170.db2.gz HJUWZTPAICNXLB-WBMJQRKESA-N 2 2 273.380 1.664 20 30 CDEDLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000589258953 342502171 /nfs/dbraw/zinc/50/21/71/342502171.db2.gz HJUWZTPAICNXLB-WBMJQRKESA-N 2 2 273.380 1.664 20 30 CDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000591570938 342637148 /nfs/dbraw/zinc/63/71/48/342637148.db2.gz CUTDANSMBAEGIF-IOASZLSFSA-N 2 2 273.380 1.976 20 30 CDEDLP CC[C@H](C#N)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000593467317 342804081 /nfs/dbraw/zinc/80/40/81/342804081.db2.gz OGYCLYOZHYONFT-CYBMUJFWSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[C@H](C#N)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000593467317 342804082 /nfs/dbraw/zinc/80/40/82/342804082.db2.gz OGYCLYOZHYONFT-CYBMUJFWSA-N 2 2 280.416 1.021 20 30 CDEDLP N#Cc1ccc(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000595464487 343071290 /nfs/dbraw/zinc/07/12/90/343071290.db2.gz ILIBTMHJWVRWIN-UHFFFAOYSA-N 2 2 281.363 1.646 20 30 CDEDLP C=CCCSCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000596649158 343370680 /nfs/dbraw/zinc/37/06/80/343370680.db2.gz CAEKGQLMKZCRNT-KGLIPLIRSA-N 2 2 270.442 1.652 20 30 CDEDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000290131773 362181711 /nfs/dbraw/zinc/18/17/11/362181711.db2.gz VBYWIDFKOLDLGK-UHFFFAOYSA-N 2 2 295.390 1.656 20 30 CDEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000619717272 349867660 /nfs/dbraw/zinc/86/76/60/349867660.db2.gz RSAAMKAWZTZYNV-CQSZACIVSA-N 2 2 268.401 1.766 20 30 CDEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000619717272 349867664 /nfs/dbraw/zinc/86/76/64/349867664.db2.gz RSAAMKAWZTZYNV-CQSZACIVSA-N 2 2 268.401 1.766 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000598720050 343883275 /nfs/dbraw/zinc/88/32/75/343883275.db2.gz LSYYCJBYLUUCDA-KBPBESRZSA-N 2 2 265.401 1.361 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000598720050 343883278 /nfs/dbraw/zinc/88/32/78/343883278.db2.gz LSYYCJBYLUUCDA-KBPBESRZSA-N 2 2 265.401 1.361 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCCNc1cccc[nH+]1 ZINC000598722103 343884336 /nfs/dbraw/zinc/88/43/36/343884336.db2.gz ZCMQBZONWCVVME-CYBMUJFWSA-N 2 2 276.384 1.774 20 30 CDEDLP CO[C@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888097 349889250 /nfs/dbraw/zinc/88/92/50/349889250.db2.gz YEAVZNLGHDCCCV-CABCVRRESA-N 2 2 259.353 1.496 20 30 CDEDLP CO[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888097 349889253 /nfs/dbraw/zinc/88/92/53/349889253.db2.gz YEAVZNLGHDCCCV-CABCVRRESA-N 2 2 259.353 1.496 20 30 CDEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000602673051 344523088 /nfs/dbraw/zinc/52/30/88/344523088.db2.gz HQNYRFQCJPOQKN-ZIAGYGMSSA-N 2 2 253.390 1.363 20 30 CDEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000602673051 344523090 /nfs/dbraw/zinc/52/30/90/344523090.db2.gz HQNYRFQCJPOQKN-ZIAGYGMSSA-N 2 2 253.390 1.363 20 30 CDEDLP CCNC(NCc1cccnc1-n1cc[nH+]c1C)=[NH+]CC ZINC000264109378 362969421 /nfs/dbraw/zinc/96/94/21/362969421.db2.gz QMKLBTFPBFDXEF-UHFFFAOYSA-N 2 2 286.383 1.651 20 30 CDEDLP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000264112647 362971042 /nfs/dbraw/zinc/97/10/42/362971042.db2.gz RNAIYAWILMRONA-GFCCVEGCSA-N 2 2 287.367 1.312 20 30 CDEDLP [NH2+]=C(NCCCc1[nH]c2ccccc2[nH+]1)NC1CC1 ZINC000264132772 362975275 /nfs/dbraw/zinc/97/52/75/362975275.db2.gz YMULAFTWIMEOBP-UHFFFAOYSA-N 2 2 257.341 1.562 20 30 CDEDLP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000264132745 362975463 /nfs/dbraw/zinc/97/54/63/362975463.db2.gz YKZJCRVBXXFIQU-HNNXBMFYSA-N 2 2 290.411 1.867 20 30 CDEDLP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000264132745 362975465 /nfs/dbraw/zinc/97/54/65/362975465.db2.gz YKZJCRVBXXFIQU-HNNXBMFYSA-N 2 2 290.411 1.867 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCCO)CC2)cc1 ZINC000194214692 358350892 /nfs/dbraw/zinc/35/08/92/358350892.db2.gz ZDPOFIXOERBGPH-UHFFFAOYSA-N 2 2 287.407 1.885 20 30 CDEDLP CC#CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265994211 359337404 /nfs/dbraw/zinc/33/74/04/359337404.db2.gz GXIGAJAASDHBHF-UHFFFAOYSA-N 2 2 299.418 1.286 20 30 CDEDLP CC#CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265994211 359337411 /nfs/dbraw/zinc/33/74/11/359337411.db2.gz GXIGAJAASDHBHF-UHFFFAOYSA-N 2 2 299.418 1.286 20 30 CDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000337198516 360020792 /nfs/dbraw/zinc/02/07/92/360020792.db2.gz YDGFSGIGYDCLQX-CVEARBPZSA-N 2 2 291.439 1.581 20 30 CDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000337198516 360020798 /nfs/dbraw/zinc/02/07/98/360020798.db2.gz YDGFSGIGYDCLQX-CVEARBPZSA-N 2 2 291.439 1.581 20 30 CDEDLP N#CCC[C@H](C#N)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000112559834 360540620 /nfs/dbraw/zinc/54/06/20/360540620.db2.gz KETGSXPKAYSBKV-MRXNPFEDSA-N 2 2 290.411 1.474 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536654270 361315035 /nfs/dbraw/zinc/31/50/35/361315035.db2.gz OPEAIWPWPYJWDB-CQSZACIVSA-N 2 2 288.395 1.410 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536654270 361315038 /nfs/dbraw/zinc/31/50/38/361315038.db2.gz OPEAIWPWPYJWDB-CQSZACIVSA-N 2 2 288.395 1.410 20 30 CDEDLP C=C1CC[NH+](CC(O)C[NH+]2CCC(=C)CC2)CC1 ZINC000278089389 366753933 /nfs/dbraw/zinc/75/39/33/366753933.db2.gz OUTMAPULIFBJSC-UHFFFAOYSA-N 2 2 250.386 1.651 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173884183 372536743 /nfs/dbraw/zinc/53/67/43/372536743.db2.gz RLTOWZDMCUXFIW-HOTGVXAUSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173884183 372536751 /nfs/dbraw/zinc/53/67/51/372536751.db2.gz RLTOWZDMCUXFIW-HOTGVXAUSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173884183 372536757 /nfs/dbraw/zinc/53/67/57/372536757.db2.gz RLTOWZDMCUXFIW-HOTGVXAUSA-N 2 2 293.455 1.849 20 30 CDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173884183 372536765 /nfs/dbraw/zinc/53/67/65/372536765.db2.gz RLTOWZDMCUXFIW-HOTGVXAUSA-N 2 2 293.455 1.849 20 30 CDEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000067122353 374392747 /nfs/dbraw/zinc/39/27/47/374392747.db2.gz OAFDTRISYMEZIB-KRWDZBQOSA-N 2 2 287.407 1.741 20 30 CDEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000246104040 376386211 /nfs/dbraw/zinc/38/62/11/376386211.db2.gz CKHLFPDIXQYQSC-BBRMVZONSA-N 2 2 292.427 1.068 20 30 CDEDLP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000246104040 376386218 /nfs/dbraw/zinc/38/62/18/376386218.db2.gz CKHLFPDIXQYQSC-BBRMVZONSA-N 2 2 292.427 1.068 20 30 CDEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000246104040 376386220 /nfs/dbraw/zinc/38/62/20/376386220.db2.gz CKHLFPDIXQYQSC-BBRMVZONSA-N 2 2 292.427 1.068 20 30 CDEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000246104040 376386224 /nfs/dbraw/zinc/38/62/24/376386224.db2.gz CKHLFPDIXQYQSC-BBRMVZONSA-N 2 2 292.427 1.068 20 30 CDEDLP N#CCCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802554 376736982 /nfs/dbraw/zinc/73/69/82/376736982.db2.gz NJMXSZHXMPUQHR-HNNXBMFYSA-N 2 2 265.401 1.724 20 30 CDEDLP N#CCCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802554 376736989 /nfs/dbraw/zinc/73/69/89/376736989.db2.gz NJMXSZHXMPUQHR-HNNXBMFYSA-N 2 2 265.401 1.724 20 30 CDEDLP C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000352991618 391319346 /nfs/dbraw/zinc/31/93/46/391319346.db2.gz PCCUKISWFXHROP-INIZCTEOSA-N 2 2 281.444 1.731 20 30 CDEDLP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000360197671 391646112 /nfs/dbraw/zinc/64/61/12/391646112.db2.gz GIIAGQAKLFKRRL-TZMCWYRMSA-N 2 2 251.374 1.379 20 30 CDEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1C ZINC000191398682 130231224 /nfs/dbraw/zinc/23/12/24/130231224.db2.gz XYFUKWGCPRMBCN-TZMCWYRMSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@@H+]1C ZINC000191398682 130231218 /nfs/dbraw/zinc/23/12/18/130231218.db2.gz XYFUKWGCPRMBCN-TZMCWYRMSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@H+]1C ZINC000191398682 130231221 /nfs/dbraw/zinc/23/12/21/130231221.db2.gz XYFUKWGCPRMBCN-TZMCWYRMSA-N 2 2 260.385 1.811 20 30 CDEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1C ZINC000191398682 130231225 /nfs/dbraw/zinc/23/12/25/130231225.db2.gz XYFUKWGCPRMBCN-TZMCWYRMSA-N 2 2 260.385 1.811 20 30 CDEDLP Cc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)ccc1C#N ZINC000488131386 392521522 /nfs/dbraw/zinc/52/15/22/392521522.db2.gz RNUZSEQSSNTEDW-UHFFFAOYSA-N 2 2 295.390 1.922 20 30 CDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1C#N ZINC000335836256 151061425 /nfs/dbraw/zinc/06/14/25/151061425.db2.gz FGOIAEPUFRILNO-DZGCQCFKSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1C#N ZINC000335836256 151061427 /nfs/dbraw/zinc/06/14/27/151061427.db2.gz FGOIAEPUFRILNO-DZGCQCFKSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1C#N ZINC000335836256 151061430 /nfs/dbraw/zinc/06/14/30/151061430.db2.gz FGOIAEPUFRILNO-DZGCQCFKSA-N 2 2 258.369 1.423 20 30 CDEDLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1C#N ZINC000335836256 151061433 /nfs/dbraw/zinc/06/14/33/151061433.db2.gz FGOIAEPUFRILNO-DZGCQCFKSA-N 2 2 258.369 1.423 20 30 CDEDLP C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCSCC1 ZINC000330308881 228123089 /nfs/dbraw/zinc/12/30/89/228123089.db2.gz MOGAGRHDWRUIGN-VXGBXAGGSA-N 2 2 294.424 1.592 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000184081970 262007419 /nfs/dbraw/zinc/00/74/19/262007419.db2.gz IVIHVTDPRHNYTN-AWEZNQCLSA-N 2 2 288.399 1.010 20 30 CDEDLP CCNC(NC[C@H](c1ccsc1)[NH+](C)C)=[NH+]CC ZINC000264117820 262874919 /nfs/dbraw/zinc/87/49/19/262874919.db2.gz TYAIKUHCXILVLY-GFCCVEGCSA-N 2 2 268.430 1.926 20 30 CDEDLP C=CCCn1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)nn1 ZINC000653589929 424307755 /nfs/dbraw/zinc/30/77/55/424307755.db2.gz FXNCGZMJSNWXMD-CYBMUJFWSA-N 2 2 286.383 1.577 20 30 CDEDLP C=CCCn1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)nn1 ZINC000653589929 424307760 /nfs/dbraw/zinc/30/77/60/424307760.db2.gz FXNCGZMJSNWXMD-CYBMUJFWSA-N 2 2 286.383 1.577 20 30 CDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655772868 424548579 /nfs/dbraw/zinc/54/85/79/424548579.db2.gz UGJFQPLNZKNRQO-XHSDSOJGSA-N 2 2 280.412 1.563 20 30 CDEDLP CC[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330278309 276161401 /nfs/dbraw/zinc/16/14/01/276161401.db2.gz PLROKNOQGCHYLN-ZDUSSCGKSA-N 2 2 291.399 1.140 20 30 CDEDLP CC[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330278309 276161403 /nfs/dbraw/zinc/16/14/03/276161403.db2.gz PLROKNOQGCHYLN-ZDUSSCGKSA-N 2 2 291.399 1.140 20 30 CDEDLP C#CCNC(NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)=[NH+]CC ZINC000262638257 330023967 /nfs/dbraw/zinc/02/39/67/330023967.db2.gz NWLJFBXMPHUOHU-KBPBESRZSA-N 2 2 294.443 1.063 20 30 CDEDLP CC[N@H+](CCNC1=[NH+]C[C@H](C)N1)CCC(F)(F)F ZINC000262665871 330025537 /nfs/dbraw/zinc/02/55/37/330025537.db2.gz ORPDUECQWSKVKN-VIFPVBQESA-N 2 2 266.311 1.198 20 30 CDEDLP CC[N@@H+](CCNC1=[NH+]C[C@H](C)N1)CCC(F)(F)F ZINC000262665871 330025538 /nfs/dbraw/zinc/02/55/38/330025538.db2.gz ORPDUECQWSKVKN-VIFPVBQESA-N 2 2 266.311 1.198 20 30 CDEDLP CSc1ccc([C@@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1 ZINC000263094807 330043256 /nfs/dbraw/zinc/04/32/56/330043256.db2.gz JFGOPBKKEYXACF-CQSZACIVSA-N 2 2 292.452 1.902 20 30 CDEDLP C=CC(C)(C)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458585501 331253611 /nfs/dbraw/zinc/25/36/11/331253611.db2.gz IGAGYHGYIWHCHJ-UHFFFAOYSA-N 2 2 296.459 1.524 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000564918230 334528281 /nfs/dbraw/zinc/52/82/81/334528281.db2.gz OXJCMGWVRJVDCS-NSHDSACASA-N 2 2 257.297 1.294 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668369058 482396983 /nfs/dbraw/zinc/39/69/83/482396983.db2.gz NJJAQWBLSHUENC-GFCCVEGCSA-N 2 2 288.395 1.281 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668369058 482396986 /nfs/dbraw/zinc/39/69/86/482396986.db2.gz NJJAQWBLSHUENC-GFCCVEGCSA-N 2 2 288.395 1.281 20 30 CDEDLP C[NH+]1CCC(CCNC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329848759 538697409 /nfs/dbraw/zinc/69/74/09/538697409.db2.gz PTXFNJNMOSDDTR-UHFFFAOYSA-N 2 2 291.399 1.345 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC000774790413 575241896 /nfs/dbraw/zinc/24/18/96/575241896.db2.gz HTFQRFVCVKSOTK-MRXNPFEDSA-N 2 2 299.418 1.423 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C(C)C)CC1 ZINC000748818060 576927392 /nfs/dbraw/zinc/92/73/92/576927392.db2.gz SWLPBXPXCGSNDC-MRXNPFEDSA-N 2 2 291.439 1.274 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C(C)C)CC1 ZINC000748818060 576927393 /nfs/dbraw/zinc/92/73/93/576927393.db2.gz 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N#Cc1cccc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)c1 ZINC001177411419 914669415 /nfs/dbraw/zinc/66/94/15/914669415.db2.gz UPZSOGAMCFARPR-UHFFFAOYSA-N 2 2 297.362 1.051 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448866 904372660 /nfs/dbraw/zinc/37/26/60/904372660.db2.gz ZRXQDIBBEGZUGK-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167978291 904909223 /nfs/dbraw/zinc/90/92/23/904909223.db2.gz LHYICYHMTAPIHY-LBPRGKRZSA-N 2 2 264.373 1.260 20 30 CDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167978291 904909233 /nfs/dbraw/zinc/90/92/33/904909233.db2.gz LHYICYHMTAPIHY-LBPRGKRZSA-N 2 2 264.373 1.260 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088494138 907497010 /nfs/dbraw/zinc/49/70/10/907497010.db2.gz NIWCAGGSGQZMAQ-AGIUHOORSA-N 2 2 285.819 1.412 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088494138 907497013 /nfs/dbraw/zinc/49/70/13/907497013.db2.gz 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C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000267107573 359349155 /nfs/dbraw/zinc/34/91/55/359349155.db2.gz WIROYUYCBZCUKP-INIZCTEOSA-N 2 2 293.455 1.851 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000267107573 359349156 /nfs/dbraw/zinc/34/91/56/359349156.db2.gz WIROYUYCBZCUKP-INIZCTEOSA-N 2 2 293.455 1.851 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000267107573 359349157 /nfs/dbraw/zinc/34/91/57/359349157.db2.gz WIROYUYCBZCUKP-INIZCTEOSA-N 2 2 293.455 1.851 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000267107573 359349158 /nfs/dbraw/zinc/34/91/58/359349158.db2.gz WIROYUYCBZCUKP-INIZCTEOSA-N 2 2 293.455 1.851 20 30 CDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)C1=O ZINC000337172001 360007847 /nfs/dbraw/zinc/00/78/47/360007847.db2.gz GHQWXDXSXIMISY-LSDHHAIUSA-N 2 2 279.428 1.437 20 30 CDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](CC)CC)C2)C1=O ZINC000337172001 360007848 /nfs/dbraw/zinc/00/78/48/360007848.db2.gz GHQWXDXSXIMISY-LSDHHAIUSA-N 2 2 279.428 1.437 20 30 CDEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000580550959 363921893 /nfs/dbraw/zinc/92/18/93/363921893.db2.gz LHTZKTUEZIVBMO-UONOGXRCSA-N 2 2 288.370 1.618 20 30 CDEDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000404116846 374146241 /nfs/dbraw/zinc/14/62/41/374146241.db2.gz GDNOQPDPZMKPLI-AWEZNQCLSA-N 2 2 277.343 1.242 20 30 CDEDLP COCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248923916 377360379 /nfs/dbraw/zinc/36/03/79/377360379.db2.gz WYFVNWHRBQOXCA-KGLIPLIRSA-N 2 2 253.390 1.627 20 30 CDEDLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248923916 377360383 /nfs/dbraw/zinc/36/03/83/377360383.db2.gz WYFVNWHRBQOXCA-KGLIPLIRSA-N 2 2 253.390 1.627 20 30 CDEDLP Cn1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C#N ZINC000334558566 378995769 /nfs/dbraw/zinc/99/57/69/378995769.db2.gz DSWINOAQIXGFMN-AWEZNQCLSA-N 2 2 260.385 1.813 20 30 CDEDLP Cn1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C#N ZINC000334558566 378995773 /nfs/dbraw/zinc/99/57/73/378995773.db2.gz DSWINOAQIXGFMN-AWEZNQCLSA-N 2 2 260.385 1.813 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123663208 391184092 /nfs/dbraw/zinc/18/40/92/391184092.db2.gz ISEBNEMFDIWUEN-AWEZNQCLSA-N 2 2 267.417 1.492 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123663208 391184094 /nfs/dbraw/zinc/18/40/94/391184094.db2.gz ISEBNEMFDIWUEN-AWEZNQCLSA-N 2 2 267.417 1.492 20 30 CDEDLP CN1CC[NH+](CC2(C)CC[NH+](CCC#N)CC2)CC1 ZINC000363800221 391226544 /nfs/dbraw/zinc/22/65/44/391226544.db2.gz QREVUCFQIRCFOJ-UHFFFAOYSA-N 2 2 264.417 1.250 20 30 CDEDLP C[C@@H]1C[N@@H+](C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CCO1 ZINC000338924673 391232483 /nfs/dbraw/zinc/23/24/83/391232483.db2.gz JCDKVCLUDAPPKC-IJEWVQPXSA-N 2 2 277.412 1.864 20 30 CDEDLP C[C@@H]1C[N@H+](C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CCO1 ZINC000338924673 391232489 /nfs/dbraw/zinc/23/24/89/391232489.db2.gz JCDKVCLUDAPPKC-IJEWVQPXSA-N 2 2 277.412 1.864 20 30 CDEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000574031697 391708455 /nfs/dbraw/zinc/70/84/55/391708455.db2.gz OWPKOFDBCQHBHR-BBRMVZONSA-N 2 2 285.391 1.904 20 30 CDEDLP CN1CC[NH+]=C1NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000262474498 391790674 /nfs/dbraw/zinc/79/06/74/391790674.db2.gz BUEQCOLGHNMDHH-ZDUSSCGKSA-N 2 2 264.348 1.319 20 30 CDEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000657878474 413068782 /nfs/dbraw/zinc/06/87/82/413068782.db2.gz NKISJOGHCLQBJT-PMPSAXMXSA-N 2 2 265.445 1.957 20 30 CDEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000657878474 413068785 /nfs/dbraw/zinc/06/87/85/413068785.db2.gz NKISJOGHCLQBJT-PMPSAXMXSA-N 2 2 265.445 1.957 20 30 CDEDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000234389209 140229780 /nfs/dbraw/zinc/22/97/80/140229780.db2.gz DXUDYJZJSCNQNW-AWEZNQCLSA-N 2 2 273.380 1.998 20 30 CDEDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000234389209 140229781 /nfs/dbraw/zinc/22/97/81/140229781.db2.gz DXUDYJZJSCNQNW-AWEZNQCLSA-N 2 2 273.380 1.998 20 30 CDEDLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329244792 227378098 /nfs/dbraw/zinc/37/80/98/227378098.db2.gz QCYMIYFXSKYXAE-LLVKDONJSA-N 2 2 262.357 1.783 20 30 CDEDLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000329244792 227378104 /nfs/dbraw/zinc/37/81/04/227378104.db2.gz QCYMIYFXSKYXAE-LLVKDONJSA-N 2 2 262.357 1.783 20 30 CDEDLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329244792 227378110 /nfs/dbraw/zinc/37/81/10/227378110.db2.gz QCYMIYFXSKYXAE-LLVKDONJSA-N 2 2 262.357 1.783 20 30 CDEDLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000329244792 227378118 /nfs/dbraw/zinc/37/81/18/227378118.db2.gz QCYMIYFXSKYXAE-LLVKDONJSA-N 2 2 262.357 1.783 20 30 CDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000330198233 228063621 /nfs/dbraw/zinc/06/36/21/228063621.db2.gz SYSMSEOTBDKHMG-UPJWGTAASA-N 2 2 291.399 1.184 20 30 CDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000330198233 228063623 /nfs/dbraw/zinc/06/36/23/228063623.db2.gz SYSMSEOTBDKHMG-UPJWGTAASA-N 2 2 291.399 1.184 20 30 CDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000330198233 228063625 /nfs/dbraw/zinc/06/36/25/228063625.db2.gz SYSMSEOTBDKHMG-UPJWGTAASA-N 2 2 291.399 1.184 20 30 CDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000330198233 228063628 /nfs/dbraw/zinc/06/36/28/228063628.db2.gz SYSMSEOTBDKHMG-UPJWGTAASA-N 2 2 291.399 1.184 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(=O)[nH]n2)CC1 ZINC000331149286 264138755 /nfs/dbraw/zinc/13/87/55/264138755.db2.gz IXIAMLDYEQKQMV-NSHDSACASA-N 2 2 262.357 1.483 20 30 CDEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000331208764 264161847 /nfs/dbraw/zinc/16/18/47/264161847.db2.gz ZXWRQNVXQNAVBI-HUUCEWRRSA-N 2 2 292.427 1.165 20 30 CDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCC(C)CC1 ZINC000262807974 330033015 /nfs/dbraw/zinc/03/30/15/330033015.db2.gz UGWIPWMLQOYNCV-UHFFFAOYSA-N 2 2 298.500 1.733 20 30 CDEDLP CC(C)NC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000263233002 330049836 /nfs/dbraw/zinc/04/98/36/330049836.db2.gz IQJSLTAGKOHEJC-VXGBXAGGSA-N 2 2 270.421 1.187 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)C(C)(C)C)CC1 ZINC000490925478 332130206 /nfs/dbraw/zinc/13/02/06/332130206.db2.gz WHFPWIUIOFJJBA-AWEZNQCLSA-N 2 2 279.428 1.178 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669783 333327280 /nfs/dbraw/zinc/32/72/80/333327280.db2.gz QBWJLHMIXDTCSZ-CQSZACIVSA-N 2 2 265.401 1.261 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669783 333327282 /nfs/dbraw/zinc/32/72/82/333327282.db2.gz QBWJLHMIXDTCSZ-CQSZACIVSA-N 2 2 265.401 1.261 20 30 CDEDLP CC(CC[NH+](C)C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761830851 576595967 /nfs/dbraw/zinc/59/59/67/576595967.db2.gz LQQIEHRBLIRMSV-UHFFFAOYSA-N 2 2 273.344 1.402 20 30 CDEDLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1C#N ZINC000742368175 576598050 /nfs/dbraw/zinc/59/80/50/576598050.db2.gz XOUZZPGTGCMCEM-HNNXBMFYSA-N 2 2 289.379 1.113 20 30 CDEDLP C[C@@H]1CC(=NN2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000757561410 577042692 /nfs/dbraw/zinc/04/26/92/577042692.db2.gz OZFBQPDYTNXOIQ-OAHLLOKOSA-N 2 2 286.423 1.884 20 30 CDEDLP C[C@@H]1CC(=NN2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000757561410 577042693 /nfs/dbraw/zinc/04/26/93/577042693.db2.gz OZFBQPDYTNXOIQ-OAHLLOKOSA-N 2 2 286.423 1.884 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000950469658 612991122 /nfs/dbraw/zinc/99/11/22/612991122.db2.gz NMCWNLGATXPLRM-MRXNPFEDSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000950469658 612991124 /nfs/dbraw/zinc/99/11/24/612991124.db2.gz NMCWNLGATXPLRM-MRXNPFEDSA-N 2 2 291.439 1.417 20 30 CDEDLP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266084 613255078 /nfs/dbraw/zinc/25/50/78/613255078.db2.gz ZSFZFKPVFYYNGI-XJKSGUPXSA-N 2 2 296.374 1.408 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266084 613255080 /nfs/dbraw/zinc/25/50/80/613255080.db2.gz ZSFZFKPVFYYNGI-XJKSGUPXSA-N 2 2 296.374 1.408 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000951196069 613317674 /nfs/dbraw/zinc/31/76/74/613317674.db2.gz OWFOFTBFLXHDKX-INIZCTEOSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000951196069 613317675 /nfs/dbraw/zinc/31/76/75/613317675.db2.gz OWFOFTBFLXHDKX-INIZCTEOSA-N 2 2 293.455 1.970 20 30 CDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945807258 613327884 /nfs/dbraw/zinc/32/78/84/613327884.db2.gz IOOGJJQDIPIMTJ-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945807258 613327885 /nfs/dbraw/zinc/32/78/85/613327885.db2.gz IOOGJJQDIPIMTJ-ZIAGYGMSSA-N 2 2 276.384 1.286 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971688206 613368201 /nfs/dbraw/zinc/36/82/01/613368201.db2.gz TUHPBACRAHSRRH-CQSZACIVSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971688206 613368202 /nfs/dbraw/zinc/36/82/02/613368202.db2.gz TUHPBACRAHSRRH-CQSZACIVSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971688206 613368203 /nfs/dbraw/zinc/36/82/03/613368203.db2.gz TUHPBACRAHSRRH-CQSZACIVSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971688206 613368204 /nfs/dbraw/zinc/36/82/04/613368204.db2.gz TUHPBACRAHSRRH-CQSZACIVSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000970128150 613384607 /nfs/dbraw/zinc/38/46/07/613384607.db2.gz CPXIPIVEJSCMBM-CHWSQXEVSA-N 2 2 296.802 1.777 20 30 CDEDLP C=CCC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982050537 613493133 /nfs/dbraw/zinc/49/31/33/613493133.db2.gz AZKSZRUOANVUME-OAHLLOKOSA-N 2 2 290.411 1.945 20 30 CDEDLP C=CCC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982050537 613493134 /nfs/dbraw/zinc/49/31/34/613493134.db2.gz AZKSZRUOANVUME-OAHLLOKOSA-N 2 2 290.411 1.945 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971998611 613612522 /nfs/dbraw/zinc/61/25/22/613612522.db2.gz UOQOCDFETORNNL-CYBMUJFWSA-N 2 2 276.384 1.071 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971998611 613612523 /nfs/dbraw/zinc/61/25/23/613612523.db2.gz UOQOCDFETORNNL-CYBMUJFWSA-N 2 2 276.384 1.071 20 30 CDEDLP C=CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000982059006 613690978 /nfs/dbraw/zinc/69/09/78/613690978.db2.gz QDEGXFLBLAHVCD-UHFFFAOYSA-N 2 2 290.411 1.727 20 30 CDEDLP C=CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000982059006 613690981 /nfs/dbraw/zinc/69/09/81/613690981.db2.gz QDEGXFLBLAHVCD-UHFFFAOYSA-N 2 2 290.411 1.727 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000957754681 613716797 /nfs/dbraw/zinc/71/67/97/613716797.db2.gz QFFONNBKCOVJSB-UHFFFAOYSA-N 2 2 287.407 1.692 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947758116 613782763 /nfs/dbraw/zinc/78/27/63/613782763.db2.gz IMDSUXHQIKENEF-RYUDHWBXSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947758116 613782766 /nfs/dbraw/zinc/78/27/66/613782766.db2.gz IMDSUXHQIKENEF-RYUDHWBXSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947849317 613783587 /nfs/dbraw/zinc/78/35/87/613783587.db2.gz RGWITRUKRNGDEO-NEPJUHHUSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947849317 613783590 /nfs/dbraw/zinc/78/35/90/613783590.db2.gz RGWITRUKRNGDEO-NEPJUHHUSA-N 2 2 262.357 1.107 20 30 CDEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981457980 613872912 /nfs/dbraw/zinc/87/29/12/613872912.db2.gz SJSNXUSYFIHNCH-STQMWFEESA-N 2 2 276.384 1.166 20 30 CDEDLP C[C@@H]1C(N=NC2=[NH+]CCN2)CC[N@@H+]1Cc1ccccc1 ZINC000841659265 618095670 /nfs/dbraw/zinc/09/56/70/618095670.db2.gz IMXCBBXSCIQUNK-GFCCVEGCSA-N 2 2 271.368 1.186 20 30 CDEDLP C[C@@H]1C(N=NC2=[NH+]CCN2)CC[N@H+]1Cc1ccccc1 ZINC000841659265 618095676 /nfs/dbraw/zinc/09/56/76/618095676.db2.gz IMXCBBXSCIQUNK-GFCCVEGCSA-N 2 2 271.368 1.186 20 30 CDEDLP CN(C)c1cc[nH+]c(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000905526213 626852701 /nfs/dbraw/zinc/85/27/01/626852701.db2.gz UQYUQJQDYVCIDQ-KRWDZBQOSA-N 2 2 296.374 1.842 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130006632 1162523482 /nfs/dbraw/zinc/52/34/82/1162523482.db2.gz NKLUZGNEAKJWNH-AWEZNQCLSA-N 2 2 278.400 1.752 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490711 1162638738 /nfs/dbraw/zinc/63/87/38/1162638738.db2.gz GENFODIEDHEVHE-GFCCVEGCSA-N 2 2 276.384 1.105 20 30 CDEDLP C=CCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490711 1162638741 /nfs/dbraw/zinc/63/87/41/1162638741.db2.gz GENFODIEDHEVHE-GFCCVEGCSA-N 2 2 276.384 1.105 20 30 CDEDLP C=CCCCCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131653924 1162986339 /nfs/dbraw/zinc/98/63/39/1162986339.db2.gz YTRCPOCVAGHHNZ-UHFFFAOYSA-N 2 2 292.427 1.805 20 30 CDEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001113172650 1162122951 /nfs/dbraw/zinc/12/29/51/1162122951.db2.gz NYZDCUWZRXVUPA-HNNXBMFYSA-N 2 2 290.411 1.772 20 30 CDEDLP N#Cc1ccc(OCCC[N@H+]2CCC[C@]([NH3+])(CO)C2)cc1 ZINC001580071323 1172342549 /nfs/dbraw/zinc/34/25/49/1172342549.db2.gz DPHUBAPQJWEBQD-MRXNPFEDSA-N 2 2 289.379 1.113 20 30 CDEDLP N#Cc1ccc(OCCC[N@@H+]2CCC[C@]([NH3+])(CO)C2)cc1 ZINC001580071323 1172342559 /nfs/dbraw/zinc/34/25/59/1172342559.db2.gz DPHUBAPQJWEBQD-MRXNPFEDSA-N 2 2 289.379 1.113 20 30 CDEDLP C=C(C)C[NH+]1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001753400411 1185187878 /nfs/dbraw/zinc/18/78/78/1185187878.db2.gz 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1.217 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000923558026 850358580 /nfs/dbraw/zinc/35/85/80/850358580.db2.gz PUEZZJZJXOLLAK-HOCLYGCPSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000923558026 850358590 /nfs/dbraw/zinc/35/85/90/850358590.db2.gz PUEZZJZJXOLLAK-HOCLYGCPSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000923558026 850358604 /nfs/dbraw/zinc/35/86/04/850358604.db2.gz PUEZZJZJXOLLAK-HOCLYGCPSA-N 2 2 289.423 1.217 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CC2)C1 ZINC001042959737 850378976 /nfs/dbraw/zinc/37/89/76/850378976.db2.gz AJVQMKKBMVKDBI-INIZCTEOSA-N 2 2 289.423 1.027 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CC2)C1 ZINC001042959737 850378985 /nfs/dbraw/zinc/37/89/85/850378985.db2.gz AJVQMKKBMVKDBI-INIZCTEOSA-N 2 2 289.423 1.027 20 30 CDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032476967 850447504 /nfs/dbraw/zinc/44/75/04/850447504.db2.gz CAQWOHJJAMKGSF-STQMWFEESA-N 2 2 282.347 1.648 20 30 CDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032476967 850447509 /nfs/dbraw/zinc/44/75/09/850447509.db2.gz CAQWOHJJAMKGSF-STQMWFEESA-N 2 2 282.347 1.648 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001095045749 912299785 /nfs/dbraw/zinc/29/97/85/912299785.db2.gz MFNUESZGMGWNQP-IHRRRGAJSA-N 2 2 288.395 1.416 20 30 CDEDLP N#Cc1ccccc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436481 904270688 /nfs/dbraw/zinc/27/06/88/904270688.db2.gz BSLPVCXURUWQOS-UHFFFAOYSA-N 2 2 297.362 1.120 20 30 CDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001088418639 907137486 /nfs/dbraw/zinc/13/74/86/907137486.db2.gz VMXYCWMWCVVTIA-AWEZNQCLSA-N 2 2 288.395 1.255 20 30 CDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663717 908753029 /nfs/dbraw/zinc/75/30/29/908753029.db2.gz RBFLYDSHEKUWIU-OCCSQVGLSA-N 2 2 296.374 1.779 20 30 CDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663717 908753040 /nfs/dbraw/zinc/75/30/40/908753040.db2.gz RBFLYDSHEKUWIU-OCCSQVGLSA-N 2 2 296.374 1.779 20 30 CDEDLP CC[NH+](CC)C1CCC([NH2+][C@@H](CS)C(=O)OC)CC1 ZINC001173102404 912164759 /nfs/dbraw/zinc/16/47/59/912164759.db2.gz XFWUERFEMLNOPA-BPCQOVAHSA-N 2 2 288.457 1.700 20 30 CDEDLP COc1cc(C[NH+]2CC(CC#N)C2)cc(C[NH+](C)C)c1O ZINC001139252834 936611552 /nfs/dbraw/zinc/61/15/52/936611552.db2.gz ATVYRKDYPJGMOG-UHFFFAOYSA-N 2 2 289.379 1.808 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128972698 922684988 /nfs/dbraw/zinc/68/49/88/922684988.db2.gz IFKCIRWGHDRDLL-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128972698 922684996 /nfs/dbraw/zinc/68/49/96/922684996.db2.gz IFKCIRWGHDRDLL-UHFFFAOYSA-N 2 2 250.346 1.014 20 30 CDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463790 923696653 /nfs/dbraw/zinc/69/66/53/923696653.db2.gz YKPSKKWQDFJTAX-AWEZNQCLSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463790 923696665 /nfs/dbraw/zinc/69/66/65/923696665.db2.gz YKPSKKWQDFJTAX-AWEZNQCLSA-N 2 2 290.411 1.462 20 30 CDEDLP C[NH+](C)CCC[N@@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001273711963 924807569 /nfs/dbraw/zinc/80/75/69/924807569.db2.gz NKHKNHVRTCGFOU-MRXNPFEDSA-N 2 2 292.427 1.309 20 30 CDEDLP C[NH+](C)CCC[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001273711963 924807578 /nfs/dbraw/zinc/80/75/78/924807578.db2.gz NKHKNHVRTCGFOU-MRXNPFEDSA-N 2 2 292.427 1.309 20 30 CDEDLP C=CCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198372704 925405962 /nfs/dbraw/zinc/40/59/62/925405962.db2.gz HWXLDACKRBXBIY-UHFFFAOYSA-N 2 2 290.411 1.774 20 30 CDEDLP C=CCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198372704 925405972 /nfs/dbraw/zinc/40/59/72/925405972.db2.gz HWXLDACKRBXBIY-UHFFFAOYSA-N 2 2 290.411 1.774 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668641 926258079 /nfs/dbraw/zinc/25/80/79/926258079.db2.gz HYORQEMTQHWEBO-OAHLLOKOSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668641 926258086 /nfs/dbraw/zinc/25/80/86/926258086.db2.gz HYORQEMTQHWEBO-OAHLLOKOSA-N 2 2 289.423 1.028 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085687256 926286954 /nfs/dbraw/zinc/28/69/54/926286954.db2.gz LSLOAIFXEDLQAQ-JKSUJKDBSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085687256 926286957 /nfs/dbraw/zinc/28/69/57/926286957.db2.gz LSLOAIFXEDLQAQ-JKSUJKDBSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687256 926286967 /nfs/dbraw/zinc/28/69/67/926286967.db2.gz LSLOAIFXEDLQAQ-JKSUJKDBSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687256 926286977 /nfs/dbraw/zinc/28/69/77/926286977.db2.gz LSLOAIFXEDLQAQ-JKSUJKDBSA-N 2 2 291.439 1.273 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085855312 926459267 /nfs/dbraw/zinc/45/92/67/926459267.db2.gz VGURFLSTXDFSKW-HZPDHXFCSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855312 926459270 /nfs/dbraw/zinc/45/92/70/926459270.db2.gz VGURFLSTXDFSKW-HZPDHXFCSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855312 926459275 /nfs/dbraw/zinc/45/92/75/926459275.db2.gz VGURFLSTXDFSKW-HZPDHXFCSA-N 2 2 291.439 1.415 20 30 CDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855312 926459278 /nfs/dbraw/zinc/45/92/78/926459278.db2.gz VGURFLSTXDFSKW-HZPDHXFCSA-N 2 2 291.439 1.415 20 30 CDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086123551 926730837 /nfs/dbraw/zinc/73/08/37/926730837.db2.gz JQWFBNPNEIIPHV-MELADBBJSA-N 2 2 288.395 1.116 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080005 930040044 /nfs/dbraw/zinc/04/00/44/930040044.db2.gz IXOGVKILPQWRFU-CHWSQXEVSA-N 2 2 278.400 1.649 20 30 CDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080005 930040050 /nfs/dbraw/zinc/04/00/50/930040050.db2.gz IXOGVKILPQWRFU-CHWSQXEVSA-N 2 2 278.400 1.649 20 30 CDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154079120 937500380 /nfs/dbraw/zinc/50/03/80/937500380.db2.gz UFHVCXXHNHKYLD-ZIAGYGMSSA-N 2 2 290.411 1.458 20 30 CDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154079120 937500383 /nfs/dbraw/zinc/50/03/83/937500383.db2.gz UFHVCXXHNHKYLD-ZIAGYGMSSA-N 2 2 290.411 1.458 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528799 937554451 /nfs/dbraw/zinc/55/44/51/937554451.db2.gz JQJCWPUKMOSWBA-CQSZACIVSA-N 2 2 278.400 1.676 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528799 937554452 /nfs/dbraw/zinc/55/44/52/937554452.db2.gz JQJCWPUKMOSWBA-CQSZACIVSA-N 2 2 278.400 1.676 20 30 CDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154540286 937556096 /nfs/dbraw/zinc/55/60/96/937556096.db2.gz KSVRLJVEHYIYLX-CQSZACIVSA-N 2 2 276.384 1.123 20 30 CDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154540286 937556097 /nfs/dbraw/zinc/55/60/97/937556097.db2.gz KSVRLJVEHYIYLX-CQSZACIVSA-N 2 2 276.384 1.123 20 30 CDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001275828684 932072012 /nfs/dbraw/zinc/07/20/12/932072012.db2.gz GOVBTBVPHYBCEF-CALCHBBNSA-N 2 2 284.407 1.378 20 30 CDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001275828684 932072018 /nfs/dbraw/zinc/07/20/18/932072018.db2.gz GOVBTBVPHYBCEF-CALCHBBNSA-N 2 2 284.407 1.378 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146509833 932259318 /nfs/dbraw/zinc/25/93/18/932259318.db2.gz VLMZSJDCKHGURI-UHFFFAOYSA-N 2 2 299.378 1.553 20 30 CDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358782 932858807 /nfs/dbraw/zinc/85/88/07/932858807.db2.gz KBXMBUUCKFIUQF-MGPQQGTHSA-N 2 2 290.411 1.964 20 30 CDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358782 932858811 /nfs/dbraw/zinc/85/88/11/932858811.db2.gz KBXMBUUCKFIUQF-MGPQQGTHSA-N 2 2 290.411 1.964 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001258718604 935035328 /nfs/dbraw/zinc/03/53/28/935035328.db2.gz RSSMDELOLAMHCI-FRRDWIJNSA-N 2 2 283.416 1.877 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001017738151 935648303 /nfs/dbraw/zinc/64/83/03/935648303.db2.gz PRSKWVHCQOIXGW-OKILXGFUSA-N 2 2 274.368 1.053 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001017738151 935648305 /nfs/dbraw/zinc/64/83/05/935648305.db2.gz PRSKWVHCQOIXGW-OKILXGFUSA-N 2 2 274.368 1.053 20 30 CDEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653699 938647084 /nfs/dbraw/zinc/64/70/84/938647084.db2.gz KBNFJCXWQFPBSV-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653699 938647085 /nfs/dbraw/zinc/64/70/85/938647085.db2.gz KBNFJCXWQFPBSV-CQSZACIVSA-N 2 2 290.411 1.841 20 30 CDEDLP N#Cc1c2c(sc1NC1=CCC[NH2+]CC1)C[NH2+]CC2 ZINC001159159698 938706833 /nfs/dbraw/zinc/70/68/33/938706833.db2.gz OREQFWCHSHRWPG-UHFFFAOYSA-N 2 2 274.393 1.945 20 30 CDEDLP C[NH+]1CCN(c2cccc(NCCCS)[nH+]2)CC1 ZINC001159869493 938756882 /nfs/dbraw/zinc/75/68/82/938756882.db2.gz GOWFMEIQGRGQBI-UHFFFAOYSA-N 2 2 266.414 1.565 20 30 CDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cccc1N ZINC001159921351 938760080 /nfs/dbraw/zinc/76/00/80/938760080.db2.gz QDTTTWCLAXNNIO-LBPRGKRZSA-N 2 2 278.356 1.303 20 30 CDEDLP CC#CC[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162432566 939052931 /nfs/dbraw/zinc/05/29/31/939052931.db2.gz APHGLKSNAMXVKN-UHFFFAOYSA-N 2 2 270.336 1.067 20 30 CDEDLP C#C[C@@H]1CCCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001165135142 939516187 /nfs/dbraw/zinc/51/61/87/939516187.db2.gz BIGVITKMHUBYAY-OAHLLOKOSA-N 2 2 284.407 1.683 20 30 CDEDLP C[NH+]1CCN(C2C[NH+](CCCc3ccc(C#N)cc3)C2)CC1 ZINC001208863621 940398585 /nfs/dbraw/zinc/39/85/85/940398585.db2.gz AKUPCXLFLLUXCC-UHFFFAOYSA-N 2 2 298.434 1.422 20 30 CDEDLP C#CCCC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001209264223 940454530 /nfs/dbraw/zinc/45/45/30/940454530.db2.gz XWOGLSXYSVDIDQ-KRWDZBQOSA-N 2 2 294.439 1.461 20 30 CDEDLP C#CCCC[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001209264223 940454532 /nfs/dbraw/zinc/45/45/32/940454532.db2.gz XWOGLSXYSVDIDQ-KRWDZBQOSA-N 2 2 294.439 1.461 20 30 CDEDLP C#CCCC[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001209264223 940454535 /nfs/dbraw/zinc/45/45/35/940454535.db2.gz XWOGLSXYSVDIDQ-KRWDZBQOSA-N 2 2 294.439 1.461 20 30 CDEDLP C#CCCC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001209264223 940454536 /nfs/dbraw/zinc/45/45/36/940454536.db2.gz XWOGLSXYSVDIDQ-KRWDZBQOSA-N 2 2 294.439 1.461 20 30 CDEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224796193 941794037 /nfs/dbraw/zinc/79/40/37/941794037.db2.gz NLZKBYWPIXLCPP-ZDUSSCGKSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224796193 941794038 /nfs/dbraw/zinc/79/40/38/941794038.db2.gz NLZKBYWPIXLCPP-ZDUSSCGKSA-N 2 2 288.395 1.050 20 30 CDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225969016 941935481 /nfs/dbraw/zinc/93/54/81/941935481.db2.gz DFOCSJOCWWTVOP-ZIAGYGMSSA-N 2 2 288.395 1.383 20 30 CDEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001263096262 943743340 /nfs/dbraw/zinc/74/33/40/943743340.db2.gz MCZQKVWCBXRELA-OLZOCXBDSA-N 2 2 276.384 1.799 20 30 CDEDLP N#Cc1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1F ZINC001236002298 944370989 /nfs/dbraw/zinc/37/09/89/944370989.db2.gz TXLODNSQUBKQPB-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1F ZINC001236002298 944370995 /nfs/dbraw/zinc/37/09/95/944370995.db2.gz TXLODNSQUBKQPB-NNQSOWQGSA-N 2 2 275.327 1.103 20 30 CDEDLP N#Cc1cc(-c2ccc(N)[nH+]c2)ccc1N1CC[NH2+]CC1 ZINC001236313316 944464663 /nfs/dbraw/zinc/46/46/63/944464663.db2.gz NIPLOPIKHXPTQL-UHFFFAOYSA-N 2 2 279.347 1.612 20 30 CDEDLP C[N@@H+]1CCC[C@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001254527101 947496836 /nfs/dbraw/zinc/49/68/36/947496836.db2.gz WBJRFBIPRGNJIO-INIZCTEOSA-N 2 2 299.422 1.560 20 30 CDEDLP C[N@H+]1CCC[C@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001254527101 947496844 /nfs/dbraw/zinc/49/68/44/947496844.db2.gz WBJRFBIPRGNJIO-INIZCTEOSA-N 2 2 299.422 1.560 20 30 CDEDLP C[N@@H+]1CC[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001255422292 947868664 /nfs/dbraw/zinc/86/86/64/947868664.db2.gz XFOFPXFJYXOFDS-SFHVURJKSA-N 2 2 298.434 1.816 20 30 CDEDLP C[N@H+]1CC[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001255422292 947868668 /nfs/dbraw/zinc/86/86/68/947868668.db2.gz XFOFPXFJYXOFDS-SFHVURJKSA-N 2 2 298.434 1.816 20 30 CDEDLP C#CCOC[C@H](O)C[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001251881145 950909468 /nfs/dbraw/zinc/90/94/68/950909468.db2.gz OPEMGDTZOKSNJE-IAGOWNOFSA-N 2 2 290.407 1.280 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001328673977 955409185 /nfs/dbraw/zinc/40/91/85/955409185.db2.gz JESNTFAQHWOKJD-ZDUSSCGKSA-N 2 2 262.357 1.040 20 30 CDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001324235001 961250075 /nfs/dbraw/zinc/25/00/75/961250075.db2.gz KGJQDQDUZMXKLJ-DZGCQCFKSA-N 2 2 290.411 1.888 20 30 CDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001351338999 966916647 /nfs/dbraw/zinc/91/66/47/966916647.db2.gz NFMVUJCUWVRFKX-CYBMUJFWSA-N 2 2 297.362 1.553 20 30 CDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001351338999 966916650 /nfs/dbraw/zinc/91/66/50/966916650.db2.gz NFMVUJCUWVRFKX-CYBMUJFWSA-N 2 2 297.362 1.553 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001375092511 974257753 /nfs/dbraw/zinc/25/77/53/974257753.db2.gz HRTPRFUERNTRKG-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001375092511 974257755 /nfs/dbraw/zinc/25/77/55/974257755.db2.gz HRTPRFUERNTRKG-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001393887516 977946924 /nfs/dbraw/zinc/94/69/24/977946924.db2.gz XCUGGULTMSBUEY-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001393887516 977946938 /nfs/dbraw/zinc/94/69/38/977946938.db2.gz XCUGGULTMSBUEY-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001393887516 977946949 /nfs/dbraw/zinc/94/69/49/977946949.db2.gz XCUGGULTMSBUEY-ZIAGYGMSSA-N 2 2 299.846 1.756 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868369 342650749 /nfs/dbraw/zinc/65/07/49/342650749.db2.gz YDBGCOVPUZHAQG-OAHLLOKOSA-N 2 2 288.395 1.721 20 30 CDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868369 342650750 /nfs/dbraw/zinc/65/07/50/342650750.db2.gz YDBGCOVPUZHAQG-OAHLLOKOSA-N 2 2 288.395 1.721 20 30 CDEDLP N#CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000566232283 370653605 /nfs/dbraw/zinc/65/36/05/370653605.db2.gz MCGXLPUXMDCJNX-CVEARBPZSA-N 2 2 273.380 1.373 20 30 CDEDLP N#CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000566232283 370653608 /nfs/dbraw/zinc/65/36/08/370653608.db2.gz MCGXLPUXMDCJNX-CVEARBPZSA-N 2 2 273.380 1.373 20 30 CDEDLP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C#N ZINC000090320587 347653344 /nfs/dbraw/zinc/65/33/44/347653344.db2.gz MWYWPQKHOXBJRU-ZIAGYGMSSA-N 2 2 257.337 1.218 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000619718396 348184185 /nfs/dbraw/zinc/18/41/85/348184185.db2.gz LJGYBVKDNHWCPX-ZIAGYGMSSA-N 2 2 284.400 1.147 20 30 CDEDLP C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000619718396 348184186 /nfs/dbraw/zinc/18/41/86/348184186.db2.gz LJGYBVKDNHWCPX-ZIAGYGMSSA-N 2 2 284.400 1.147 20 30 CDEDLP C[C@@H]1Cc2[nH+]cn(C[C@H](O)C[N@H+](C)CCC#N)c2C[C@H]1C ZINC000414128742 362921650 /nfs/dbraw/zinc/92/16/50/362921650.db2.gz SMVGURZCKCICQZ-MGPQQGTHSA-N 2 2 290.411 1.460 20 30 CDEDLP C[C@@H]1Cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CCC#N)c2C[C@H]1C ZINC000414128742 362921654 /nfs/dbraw/zinc/92/16/54/362921654.db2.gz SMVGURZCKCICQZ-MGPQQGTHSA-N 2 2 290.411 1.460 20 30 CDEDLP CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000264098624 362966894 /nfs/dbraw/zinc/96/68/94/362966894.db2.gz NGMWMRKBXXRTGH-SECBINFHSA-N 2 2 252.387 1.029 20 30 CDEDLP CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000264098624 362966900 /nfs/dbraw/zinc/96/69/00/362966900.db2.gz NGMWMRKBXXRTGH-SECBINFHSA-N 2 2 252.387 1.029 20 30 CDEDLP CCNC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264144657 362978064 /nfs/dbraw/zinc/97/80/64/362978064.db2.gz XLTBWUPRYHEGTI-GFCCVEGCSA-N 2 2 294.399 1.231 20 30 CDEDLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C#N ZINC000261865379 357336753 /nfs/dbraw/zinc/33/67/53/357336753.db2.gz YLGTXOMKSHKSSN-CABCVRRESA-N 2 2 271.364 1.751 20 30 CDEDLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C#N ZINC000261865379 357336757 /nfs/dbraw/zinc/33/67/57/357336757.db2.gz YLGTXOMKSHKSSN-CABCVRRESA-N 2 2 271.364 1.751 20 30 CDEDLP CCNC(NC[C@@H](c1cccs1)[NH+](C)C)=[NH+]CC ZINC000058166006 357381634 /nfs/dbraw/zinc/38/16/34/357381634.db2.gz DAIATYQGLZSONG-NSHDSACASA-N 2 2 268.430 1.926 20 30 CDEDLP C=CCOCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000348051847 359802960 /nfs/dbraw/zinc/80/29/60/359802960.db2.gz RTIJLGUYZAJZKB-HNNXBMFYSA-N 2 2 268.401 1.233 20 30 CDEDLP C=CCOCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000348051847 359802962 /nfs/dbraw/zinc/80/29/62/359802962.db2.gz RTIJLGUYZAJZKB-HNNXBMFYSA-N 2 2 268.401 1.233 20 30 CDEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157370785 360851880 /nfs/dbraw/zinc/85/18/80/360851880.db2.gz KHCCKOYTYIGJTC-AWEZNQCLSA-N 2 2 265.401 1.239 20 30 CDEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157370785 360851885 /nfs/dbraw/zinc/85/18/85/360851885.db2.gz KHCCKOYTYIGJTC-AWEZNQCLSA-N 2 2 265.401 1.239 20 30 CDEDLP C[C@@H]1C[C@@H](NC(=O)N(C)Cc2[nH+]ccn2C)C[N@@H+]1C1CC1 ZINC000329385531 361496559 /nfs/dbraw/zinc/49/65/59/361496559.db2.gz PIBXRGQVKIPEBL-VXGBXAGGSA-N 2 2 291.399 1.391 20 30 CDEDLP C[C@@H]1C[C@@H](NC(=O)N(C)Cc2[nH+]ccn2C)C[N@H+]1C1CC1 ZINC000329385531 361496563 /nfs/dbraw/zinc/49/65/63/361496563.db2.gz PIBXRGQVKIPEBL-VXGBXAGGSA-N 2 2 291.399 1.391 20 30 CDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)NC1CC1 ZINC000171410121 365274884 /nfs/dbraw/zinc/27/48/84/365274884.db2.gz ZGJBBMVWTHMNGC-UHFFFAOYSA-N 2 2 270.340 1.095 20 30 CDEDLP C[C@H]1C[N@H+](CCCCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362704691 369112664 /nfs/dbraw/zinc/11/26/64/369112664.db2.gz VEZWIJGXUFBSSW-HOTGVXAUSA-N 2 2 278.444 1.638 20 30 CDEDLP C[C@H]1C[N@@H+](CCCCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362704691 369112667 /nfs/dbraw/zinc/11/26/67/369112667.db2.gz VEZWIJGXUFBSSW-HOTGVXAUSA-N 2 2 278.444 1.638 20 30 CDEDLP C=CCCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000556220150 370241165 /nfs/dbraw/zinc/24/11/65/370241165.db2.gz MBHROJLLXKJCDR-HNNXBMFYSA-N 2 2 252.402 1.997 20 30 CDEDLP C=CCCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000556220150 370241170 /nfs/dbraw/zinc/24/11/70/370241170.db2.gz MBHROJLLXKJCDR-HNNXBMFYSA-N 2 2 252.402 1.997 20 30 CDEDLP Cc1cc(NCC23CCC[NH+]2CCC3)c(C#N)c[nH+]1 ZINC000333396339 205286690 /nfs/dbraw/zinc/28/66/90/205286690.db2.gz DWPXXUFQCOKLTQ-UHFFFAOYSA-N 2 2 256.353 1.724 20 30 CDEDLP C=CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342726496 374463598 /nfs/dbraw/zinc/46/35/98/374463598.db2.gz FMOQRFKKZBTYNO-UHFFFAOYSA-N 2 2 291.395 1.432 20 30 CDEDLP C=CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342726496 374463607 /nfs/dbraw/zinc/46/36/07/374463607.db2.gz FMOQRFKKZBTYNO-UHFFFAOYSA-N 2 2 291.395 1.432 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000093132897 374733181 /nfs/dbraw/zinc/73/31/81/374733181.db2.gz OLFJSEUJIQIDEU-AWEZNQCLSA-N 2 2 288.395 1.363 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000093132897 374733188 /nfs/dbraw/zinc/73/31/88/374733188.db2.gz OLFJSEUJIQIDEU-AWEZNQCLSA-N 2 2 288.395 1.363 20 30 CDEDLP O=C(NCC[NH+]1CCSCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328951050 376019881 /nfs/dbraw/zinc/01/98/81/376019881.db2.gz LLGFNSPNZCGZIX-LBPRGKRZSA-N 2 2 294.424 1.451 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289874251 378350228 /nfs/dbraw/zinc/35/02/28/378350228.db2.gz RKNLODBFCKYBHP-KRWDZBQOSA-N 2 2 272.392 1.577 20 30 CDEDLP C#CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289874251 378350234 /nfs/dbraw/zinc/35/02/34/378350234.db2.gz RKNLODBFCKYBHP-KRWDZBQOSA-N 2 2 272.392 1.577 20 30 CDEDLP C#CC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289874251 378350240 /nfs/dbraw/zinc/35/02/40/378350240.db2.gz RKNLODBFCKYBHP-KRWDZBQOSA-N 2 2 272.392 1.577 20 30 CDEDLP C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289874251 378350248 /nfs/dbraw/zinc/35/02/48/378350248.db2.gz RKNLODBFCKYBHP-KRWDZBQOSA-N 2 2 272.392 1.577 20 30 CDEDLP C#CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289330367 197298665 /nfs/dbraw/zinc/29/86/65/197298665.db2.gz HPLRYYNTMBBBIL-DLBZAZTESA-N 2 2 272.392 1.796 20 30 CDEDLP C#CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289330367 197298667 /nfs/dbraw/zinc/29/86/67/197298667.db2.gz HPLRYYNTMBBBIL-DLBZAZTESA-N 2 2 272.392 1.796 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331934118 391268056 /nfs/dbraw/zinc/26/80/56/391268056.db2.gz HTTMZKILBFSION-CABCVRRESA-N 2 2 294.443 1.411 20 30 CDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331934118 391268060 /nfs/dbraw/zinc/26/80/60/391268060.db2.gz HTTMZKILBFSION-CABCVRRESA-N 2 2 294.443 1.411 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000353010416 391320702 /nfs/dbraw/zinc/32/07/02/391320702.db2.gz URQLTDFPWHVSDL-UHFFFAOYSA-N 2 2 270.417 1.622 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788608 391471318 /nfs/dbraw/zinc/47/13/18/391471318.db2.gz NCMPAKIOTPFTAZ-IIAWOOMASA-N 3 2 263.429 1.615 20 30 CDEDLP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccccn1 ZINC000261973942 391745757 /nfs/dbraw/zinc/74/57/57/391745757.db2.gz FELPEAYLUCQBMP-UHFFFAOYSA-N 2 2 270.340 1.541 20 30 CDEDLP C#CCCNC(=[NH+]CC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261980189 391747052 /nfs/dbraw/zinc/74/70/52/391747052.db2.gz OSFFGOVDGGILPB-LSDHHAIUSA-N 2 2 287.411 1.755 20 30 CDEDLP C#CCNC(NCCn1c(C)[nH+]c2ccccc21)=[NH+]CC ZINC000262609671 391799728 /nfs/dbraw/zinc/79/97/28/391799728.db2.gz IKPOBRCDPWBNAA-UHFFFAOYSA-N 2 2 283.379 1.533 20 30 CDEDLP Cc1ccc([C@@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1 ZINC000262683886 391812588 /nfs/dbraw/zinc/81/25/88/391812588.db2.gz XRYOIBHMWXODBK-CQSZACIVSA-N 2 2 260.385 1.489 20 30 CDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NCC1CC1 ZINC000262774419 391819929 /nfs/dbraw/zinc/81/99/29/391819929.db2.gz 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C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001665597092 1173016826 /nfs/dbraw/zinc/01/68/26/1173016826.db2.gz JZWSXALTCHWYBH-HZPDHXFCSA-N 2 2 285.391 1.113 20 30 CDEDLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000330311347 228135323 /nfs/dbraw/zinc/13/53/23/228135323.db2.gz NUJSHIWWNZCROY-ZDUSSCGKSA-N 2 2 292.383 1.520 20 30 CDEDLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000330311347 228135325 /nfs/dbraw/zinc/13/53/25/228135325.db2.gz NUJSHIWWNZCROY-ZDUSSCGKSA-N 2 2 292.383 1.520 20 30 CDEDLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000330311346 228135578 /nfs/dbraw/zinc/13/55/78/228135578.db2.gz NUJSHIWWNZCROY-CYBMUJFWSA-N 2 2 292.383 1.520 20 30 CDEDLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000330311346 228135579 /nfs/dbraw/zinc/13/55/79/228135579.db2.gz NUJSHIWWNZCROY-CYBMUJFWSA-N 2 2 292.383 1.520 20 30 CDEDLP Cn1c[nH+]c2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000518759404 261229238 /nfs/dbraw/zinc/22/92/38/261229238.db2.gz 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CCCNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303787616 710276129 /nfs/dbraw/zinc/27/61/29/710276129.db2.gz SPDTVIYWHLYJBO-TXEJJXNPSA-N 2 2 270.421 1.189 20 30 CDEDLP CCCNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303787616 710276131 /nfs/dbraw/zinc/27/61/31/710276131.db2.gz SPDTVIYWHLYJBO-TXEJJXNPSA-N 2 2 270.421 1.189 20 30 CDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001034671602 710470521 /nfs/dbraw/zinc/47/05/21/710470521.db2.gz TZYSRSSJCBZWDG-HDJSIYSDSA-N 2 2 296.374 1.827 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CC1 ZINC001038367368 710565802 /nfs/dbraw/zinc/56/58/02/710565802.db2.gz LTLQPDFJOOIRFY-CVEARBPZSA-N 2 2 289.423 1.075 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CC1 ZINC001038367368 710565804 /nfs/dbraw/zinc/56/58/04/710565804.db2.gz LTLQPDFJOOIRFY-CVEARBPZSA-N 2 2 289.423 1.075 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CC1 ZINC001038367368 710565807 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C#CC[NH+]1CCC(c2nc([C@H]3CCC[NH2+]3)no2)CC1 ZINC000842644729 711767520 /nfs/dbraw/zinc/76/75/20/711767520.db2.gz UIAUUMJTNLIKGA-GFCCVEGCSA-N 2 2 260.341 1.307 20 30 CDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001050552473 711776083 /nfs/dbraw/zinc/77/60/83/711776083.db2.gz LGFOKEUJNLJOKO-ZIAGYGMSSA-N 2 2 298.390 1.071 20 30 CDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001050552473 711776084 /nfs/dbraw/zinc/77/60/84/711776084.db2.gz LGFOKEUJNLJOKO-ZIAGYGMSSA-N 2 2 298.390 1.071 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000957279175 711785612 /nfs/dbraw/zinc/78/56/12/711785612.db2.gz TVLXEKFGQAGFCR-UHFFFAOYSA-N 2 2 277.412 1.191 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001074693427 711787611 /nfs/dbraw/zinc/78/76/11/711787611.db2.gz ZLEDODGEKYMZFV-LOWDOPEQSA-N 2 2 274.368 1.278 20 30 CDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001074693427 711787612 /nfs/dbraw/zinc/78/76/12/711787612.db2.gz ZLEDODGEKYMZFV-LOWDOPEQSA-N 2 2 274.368 1.278 20 30 CDEDLP CC(C)NC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000303892629 711828417 /nfs/dbraw/zinc/82/84/17/711828417.db2.gz NTFWYDSNXHFPDR-CYBMUJFWSA-N 2 2 266.364 1.741 20 30 CDEDLP CCOCCCNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905262 711829141 /nfs/dbraw/zinc/82/91/41/711829141.db2.gz LCVMEUHMQLXDLS-UHFFFAOYSA-N 2 2 279.388 1.215 20 30 CDEDLP C#Cc1cc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC001174812779 913362229 /nfs/dbraw/zinc/36/22/29/913362229.db2.gz OWLHTGRTQKRJNA-UHFFFAOYSA-N 2 2 292.386 1.980 20 30 CDEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175460204 913636931 /nfs/dbraw/zinc/63/69/31/913636931.db2.gz DLVQPNQKZONAMO-ZDUSSCGKSA-N 2 2 278.400 1.793 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323706 895735061 /nfs/dbraw/zinc/73/50/61/895735061.db2.gz OZPVSTMHPRYDHW-CYBMUJFWSA-N 2 2 290.411 1.495 20 30 CDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323706 895735076 /nfs/dbraw/zinc/73/50/76/895735076.db2.gz OZPVSTMHPRYDHW-CYBMUJFWSA-N 2 2 290.411 1.495 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001027596794 900652475 /nfs/dbraw/zinc/65/24/75/900652475.db2.gz ANSVFVLOFOMJGC-HUUCEWRRSA-N 2 2 290.411 1.943 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001027596794 900652482 /nfs/dbraw/zinc/65/24/82/900652482.db2.gz ANSVFVLOFOMJGC-HUUCEWRRSA-N 2 2 290.411 1.943 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390351 907091325 /nfs/dbraw/zinc/09/13/25/907091325.db2.gz LTMVABPARAKGAD-AWEZNQCLSA-N 2 2 290.411 1.889 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001092821277 909521136 /nfs/dbraw/zinc/52/11/36/909521136.db2.gz XAKMPTHDAKXFKK-ZIAGYGMSSA-N 2 2 296.374 1.265 20 30 CDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001092821277 909521145 /nfs/dbraw/zinc/52/11/45/909521145.db2.gz XAKMPTHDAKXFKK-ZIAGYGMSSA-N 2 2 296.374 1.265 20 30 CDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001484999967 916364460 /nfs/dbraw/zinc/36/44/60/916364460.db2.gz JIFKGFZWEIPBPB-STQMWFEESA-N 2 2 276.384 1.096 20 30 CDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001484999967 916364476 /nfs/dbraw/zinc/36/44/76/916364476.db2.gz JIFKGFZWEIPBPB-STQMWFEESA-N 2 2 276.384 1.096 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272809268 919443187 /nfs/dbraw/zinc/44/31/87/919443187.db2.gz YOHZARYEDQKPFF-INIZCTEOSA-N 2 2 286.379 1.247 20 30 CDEDLP C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272809268 919443197 /nfs/dbraw/zinc/44/31/97/919443197.db2.gz YOHZARYEDQKPFF-INIZCTEOSA-N 2 2 286.379 1.247 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078829145 920478265 /nfs/dbraw/zinc/47/82/65/920478265.db2.gz CNEQGNGKTXBYMH-CHWSQXEVSA-N 2 2 274.368 1.086 20 30 CDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368862 920992219 /nfs/dbraw/zinc/99/22/19/920992219.db2.gz NASCBGWWVOVOCY-CYBMUJFWSA-N 2 2 262.357 1.040 20 30 CDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191320229 922507225 /nfs/dbraw/zinc/50/72/25/922507225.db2.gz NHSWSDXYSUDKIY-AWEZNQCLSA-N 2 2 296.374 1.504 20 30 CDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191320229 922507234 /nfs/dbraw/zinc/50/72/34/922507234.db2.gz NHSWSDXYSUDKIY-AWEZNQCLSA-N 2 2 296.374 1.504 20 30 CDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577585 923154141 /nfs/dbraw/zinc/15/41/41/923154141.db2.gz HLJMVVPHTWBLHU-LSDHHAIUSA-N 2 2 290.411 1.943 20 30 CDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577585 923154148 /nfs/dbraw/zinc/15/41/48/923154148.db2.gz HLJMVVPHTWBLHU-LSDHHAIUSA-N 2 2 290.411 1.943 20 30 CDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103070606 937120265 /nfs/dbraw/zinc/12/02/65/937120265.db2.gz MUMFUIWLFRPLMM-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103070606 937120267 /nfs/dbraw/zinc/12/02/67/937120267.db2.gz MUMFUIWLFRPLMM-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103070606 937120268 /nfs/dbraw/zinc/12/02/68/937120268.db2.gz MUMFUIWLFRPLMM-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103070606 937120270 /nfs/dbraw/zinc/12/02/70/937120270.db2.gz MUMFUIWLFRPLMM-ZIAGYGMSSA-N 2 2 288.395 1.050 20 30 CDEDLP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108785377 928631448 /nfs/dbraw/zinc/63/14/48/928631448.db2.gz CCOMLVVQHXNEJO-MJBXVCDLSA-N 2 2 288.395 1.497 20 30 CDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115305 937420563 /nfs/dbraw/zinc/42/05/63/937420563.db2.gz RUDWNIBTINKWQV-CYBMUJFWSA-N 2 2 276.384 1.192 20 30 CDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115305 937420565 /nfs/dbraw/zinc/42/05/65/937420565.db2.gz RUDWNIBTINKWQV-CYBMUJFWSA-N 2 2 276.384 1.192 20 30 CDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944743 930552400 /nfs/dbraw/zinc/55/24/00/930552400.db2.gz OWUYPGNHHXVFAX-NWDGAFQWSA-N 2 2 298.818 1.588 20 30 CDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817917422 930631615 /nfs/dbraw/zinc/63/16/15/930631615.db2.gz GHVYCQBPCAZWBE-UKRRQHHQSA-N 2 2 289.379 1.446 20 30 CDEDLP C[C@@H]1CC[C@@H]([NH2+]CCOc2ccccc2C#N)C[NH2+]1 ZINC001246330802 931451879 /nfs/dbraw/zinc/45/18/79/931451879.db2.gz VEEGITAOEYTHFV-TZMCWYRMSA-N 2 2 259.353 1.667 20 30 CDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095619643 932731120 /nfs/dbraw/zinc/73/11/20/932731120.db2.gz NPAOORCQRUEWBN-INWMFGNUSA-N 2 2 294.358 1.531 20 30 CDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095619643 932731123 /nfs/dbraw/zinc/73/11/23/932731123.db2.gz NPAOORCQRUEWBN-INWMFGNUSA-N 2 2 294.358 1.531 20 30 CDEDLP N#Cc1ncc(Cl)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155052578 937627455 /nfs/dbraw/zinc/62/74/55/937627455.db2.gz CUYBGSLLGSRFGF-UHFFFAOYSA-N 2 2 288.742 1.654 20 30 CDEDLP Cc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)c(Cl)cc1C#N ZINC001157916246 938562689 /nfs/dbraw/zinc/56/26/89/938562689.db2.gz PVAOPIINIWBYCZ-UHFFFAOYSA-N 2 2 292.774 1.509 20 30 CDEDLP C=CC[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158514650 938631565 /nfs/dbraw/zinc/63/15/65/938631565.db2.gz LTBGAUIQBRPYDL-UHFFFAOYSA-N 2 2 276.384 1.044 20 30 CDEDLP C=C(C)CC[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160838489 938831916 /nfs/dbraw/zinc/83/19/16/938831916.db2.gz LBMWGQMWKGQFOC-UHFFFAOYSA-N 2 2 291.395 1.695 20 30 CDEDLP C=CCC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474340 939609584 /nfs/dbraw/zinc/60/95/84/939609584.db2.gz MCARNDSSPUCRTM-UHFFFAOYSA-N 2 2 290.411 1.725 20 30 CDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217006127 940971929 /nfs/dbraw/zinc/97/19/29/940971929.db2.gz XDBDORVNGWVWCL-QLFBSQMISA-N 2 2 290.411 1.674 20 30 CDEDLP N#Cc1ccc(O)c(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222548288 941612551 /nfs/dbraw/zinc/61/25/51/941612551.db2.gz FDSSWDOSVXPMCD-UHFFFAOYSA-N 2 2 263.316 1.527 20 30 CDEDLP C=CCCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225677551 941898149 /nfs/dbraw/zinc/89/81/49/941898149.db2.gz ZHNPOSSMRQTTLI-UHFFFAOYSA-N 2 2 290.411 1.678 20 30 CDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229679230 942511003 /nfs/dbraw/zinc/51/10/03/942511003.db2.gz UHWWZDDYUANXDN-UHFFFAOYSA-N 2 2 287.835 1.661 20 30 CDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232678322 943358268 /nfs/dbraw/zinc/35/82/68/943358268.db2.gz UVDFXXNODLOFMV-MRXNPFEDSA-N 2 2 271.364 1.791 20 30 CDEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232678322 943358276 /nfs/dbraw/zinc/35/82/76/943358276.db2.gz UVDFXXNODLOFMV-MRXNPFEDSA-N 2 2 271.364 1.791 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232678322 943358280 /nfs/dbraw/zinc/35/82/80/943358280.db2.gz UVDFXXNODLOFMV-MRXNPFEDSA-N 2 2 271.364 1.791 20 30 CDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232678322 943358283 /nfs/dbraw/zinc/35/82/83/943358283.db2.gz UVDFXXNODLOFMV-MRXNPFEDSA-N 2 2 271.364 1.791 20 30 CDEDLP CCc1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)ccc1C#N ZINC001235060160 944034356 /nfs/dbraw/zinc/03/43/56/944034356.db2.gz FOAHHKBZWVPVCK-QGZVFWFLSA-N 2 2 284.407 1.258 20 30 CDEDLP CCc1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)ccc1C#N ZINC001235060160 944034360 /nfs/dbraw/zinc/03/43/60/944034360.db2.gz FOAHHKBZWVPVCK-QGZVFWFLSA-N 2 2 284.407 1.258 20 30 CDEDLP N#Cc1cccc2c(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)c[nH]c21 ZINC001235987458 944351237 /nfs/dbraw/zinc/35/12/37/944351237.db2.gz FWPCLPAWQSGZDP-CZUORRHYSA-N 2 2 266.348 1.963 20 30 CDEDLP N#Cc1cccc2c(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)c[nH]c21 ZINC001235987458 944351243 /nfs/dbraw/zinc/35/12/43/944351243.db2.gz FWPCLPAWQSGZDP-CZUORRHYSA-N 2 2 266.348 1.963 20 30 CDEDLP N#C[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246593197 948329651 /nfs/dbraw/zinc/32/96/51/948329651.db2.gz NJZLSZCMKVCJNQ-BRWVUGGUSA-N 2 2 284.407 1.147 20 30 CDEDLP C=CCOC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001252470085 951316370 /nfs/dbraw/zinc/31/63/70/951316370.db2.gz HJROGWXVZLLOFS-CQSZACIVSA-N 2 2 265.357 1.084 20 30 CDEDLP C=C[C@@](C)(O)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001252547026 951434432 /nfs/dbraw/zinc/43/44/32/951434432.db2.gz DHPAQYSQPXIVFJ-OAHLLOKOSA-N 2 2 262.353 1.862 20 30 CDEDLP C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253391807 951875916 /nfs/dbraw/zinc/87/59/16/951875916.db2.gz YEFQDNBVXIBSLH-OAHLLOKOSA-N 2 2 275.396 1.739 20 30 CDEDLP C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253391807 951875925 /nfs/dbraw/zinc/87/59/25/951875925.db2.gz YEFQDNBVXIBSLH-OAHLLOKOSA-N 2 2 275.396 1.739 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001367844987 958424816 /nfs/dbraw/zinc/42/48/16/958424816.db2.gz HZZBQUVVPMHVDC-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001367844987 958424824 /nfs/dbraw/zinc/42/48/24/958424824.db2.gz HZZBQUVVPMHVDC-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CCC ZINC001367844987 958424830 /nfs/dbraw/zinc/42/48/30/958424830.db2.gz HZZBQUVVPMHVDC-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CCC ZINC001367844987 958424840 /nfs/dbraw/zinc/42/48/40/958424840.db2.gz HZZBQUVVPMHVDC-LBPRGKRZSA-N 2 2 275.824 1.517 20 30 CDEDLP CC(C)[N@H+](C)CC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001336775286 960572527 /nfs/dbraw/zinc/57/25/27/960572527.db2.gz ZJTCAQVLCQATAY-UHFFFAOYSA-N 2 2 288.395 1.817 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001442623222 965144109 /nfs/dbraw/zinc/14/41/09/965144109.db2.gz WSDGTNJIWXQRAL-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001442623222 965144114 /nfs/dbraw/zinc/14/41/14/965144114.db2.gz WSDGTNJIWXQRAL-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001442623222 965144117 /nfs/dbraw/zinc/14/41/17/965144117.db2.gz WSDGTNJIWXQRAL-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001442623222 965144121 /nfs/dbraw/zinc/14/41/21/965144121.db2.gz WSDGTNJIWXQRAL-ZDUSSCGKSA-N 2 2 287.835 1.661 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001443821472 965622488 /nfs/dbraw/zinc/62/24/88/965622488.db2.gz LITHBOFESNQLFI-STQMWFEESA-N 2 2 287.835 1.612 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001443821472 965622494 /nfs/dbraw/zinc/62/24/94/965622494.db2.gz LITHBOFESNQLFI-STQMWFEESA-N 2 2 287.835 1.612 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000081643199 342372755 /nfs/dbraw/zinc/37/27/55/342372755.db2.gz OVUBCPZDLXEMEZ-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000081643199 342372756 /nfs/dbraw/zinc/37/27/56/342372756.db2.gz OVUBCPZDLXEMEZ-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000088696676 342386899 /nfs/dbraw/zinc/38/68/99/342386899.db2.gz FKUDOFYEGLRWMX-RDJZCZTQSA-N 2 2 299.418 1.551 20 30 CDEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000088696676 342386900 /nfs/dbraw/zinc/38/69/00/342386900.db2.gz FKUDOFYEGLRWMX-RDJZCZTQSA-N 2 2 299.418 1.551 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000598590975 343837566 /nfs/dbraw/zinc/83/75/66/343837566.db2.gz VUBWQNKIKLRVOF-UONOGXRCSA-N 2 2 276.384 1.821 20 30 CDEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000598590975 343837569 /nfs/dbraw/zinc/83/75/69/343837569.db2.gz VUBWQNKIKLRVOF-UONOGXRCSA-N 2 2 276.384 1.821 20 30 CDEDLP C[C@@H](CCC#N)CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000602522220 344453092 /nfs/dbraw/zinc/45/30/92/344453092.db2.gz RRUOSMMKGGIEPT-AWEZNQCLSA-N 2 2 287.411 1.607 20 30 CDEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602611968 344494757 /nfs/dbraw/zinc/49/47/57/344494757.db2.gz OGBZHFKTEFMASD-GFCCVEGCSA-N 2 2 253.390 1.504 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000414342522 362936233 /nfs/dbraw/zinc/93/62/33/362936233.db2.gz XEGDAJMNUNOKBQ-UHFFFAOYSA-N 2 2 262.401 1.859 20 30 CDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000602620349 350133374 /nfs/dbraw/zinc/13/33/74/350133374.db2.gz BCTNXRSEWWYUNG-LLVKDONJSA-N 2 2 253.309 1.254 20 30 CDEDLP CCCCNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264091627 362964272 /nfs/dbraw/zinc/96/42/72/362964272.db2.gz LCPGVGIQELTGOO-UHFFFAOYSA-N 2 2 259.357 1.810 20 30 CDEDLP CN(C)C(=[NH+]CCCc1[nH]c2ccccc2[nH+]1)N(C)C ZINC000264086919 362962812 /nfs/dbraw/zinc/96/28/12/362962812.db2.gz JSOUWNDAFSJKNP-UHFFFAOYSA-N 2 2 273.384 1.975 20 30 CDEDLP COCCNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000264105514 362968180 /nfs/dbraw/zinc/96/81/80/362968180.db2.gz PIQDLIACRHHNAC-AWEZNQCLSA-N 2 2 278.400 1.148 20 30 CDEDLP C=CC[NH+]1CCC(Nc2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000294428240 199036464 /nfs/dbraw/zinc/03/64/64/199036464.db2.gz OSUFLRJMTDJZFM-GFCCVEGCSA-N 2 2 291.399 1.332 20 30 CDEDLP C=CC[NH+]1CCC(Nc2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000294428240 199036466 /nfs/dbraw/zinc/03/64/66/199036466.db2.gz OSUFLRJMTDJZFM-GFCCVEGCSA-N 2 2 291.399 1.332 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(N(C)C)nc2)CC1 ZINC000264426513 359309945 /nfs/dbraw/zinc/30/99/45/359309945.db2.gz YFRUJBSGCBOMKN-UHFFFAOYSA-N 2 2 289.427 1.673 20 30 CDEDLP C#CCC[NH+]1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277364655 359561182 /nfs/dbraw/zinc/56/11/82/359561182.db2.gz HCTYAYXVXOMXEG-UHFFFAOYSA-N 2 2 285.395 1.222 20 30 CDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CCN(C=O)CC1)C(C)C ZINC000278180826 359578861 /nfs/dbraw/zinc/57/88/61/359578861.db2.gz DJQGSSDHXHXUTJ-QGZVFWFLSA-N 2 2 293.455 1.895 20 30 CDEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c[nH+]ccc2c1 ZINC000570509587 363691559 /nfs/dbraw/zinc/69/15/59/363691559.db2.gz GCFNMMOWDCTMAR-MRXNPFEDSA-N 2 2 284.363 1.853 20 30 CDEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c[nH+]ccc2c1 ZINC000570509587 363691565 /nfs/dbraw/zinc/69/15/65/363691565.db2.gz GCFNMMOWDCTMAR-MRXNPFEDSA-N 2 2 284.363 1.853 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112658640 360528226 /nfs/dbraw/zinc/52/82/26/360528226.db2.gz MUXIHLAZWDEEPQ-ZBFHGGJFSA-N 2 2 294.443 1.314 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112658640 360528229 /nfs/dbraw/zinc/52/82/29/360528229.db2.gz MUXIHLAZWDEEPQ-ZBFHGGJFSA-N 2 2 294.443 1.314 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000112658640 360528234 /nfs/dbraw/zinc/52/82/34/360528234.db2.gz MUXIHLAZWDEEPQ-ZBFHGGJFSA-N 2 2 294.443 1.314 20 30 CDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112658640 360528237 /nfs/dbraw/zinc/52/82/37/360528237.db2.gz MUXIHLAZWDEEPQ-ZBFHGGJFSA-N 2 2 294.443 1.314 20 30 CDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1C ZINC000246955860 360976583 /nfs/dbraw/zinc/97/65/83/360976583.db2.gz RGXWDKYGTCRYOZ-IVMMDQJWSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[N@H+]1C ZINC000246955860 360976592 /nfs/dbraw/zinc/97/65/92/360976592.db2.gz RGXWDKYGTCRYOZ-IVMMDQJWSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[NH+]1C ZINC000246955860 360976596 /nfs/dbraw/zinc/97/65/96/360976596.db2.gz RGXWDKYGTCRYOZ-IVMMDQJWSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[NH+]1C ZINC000246955860 360976600 /nfs/dbraw/zinc/97/66/00/360976600.db2.gz RGXWDKYGTCRYOZ-IVMMDQJWSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1C ZINC000246955878 360976738 /nfs/dbraw/zinc/97/67/38/360976738.db2.gz RGXWDKYGTCRYOZ-XNRPHZJLSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[N@H+]1C ZINC000246955878 360976744 /nfs/dbraw/zinc/97/67/44/360976744.db2.gz RGXWDKYGTCRYOZ-XNRPHZJLSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[NH+]1C ZINC000246955878 360976751 /nfs/dbraw/zinc/97/67/51/360976751.db2.gz RGXWDKYGTCRYOZ-XNRPHZJLSA-N 2 2 292.427 1.209 20 30 CDEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[NH+]1C ZINC000246955878 360976756 /nfs/dbraw/zinc/97/67/56/360976756.db2.gz RGXWDKYGTCRYOZ-XNRPHZJLSA-N 2 2 292.427 1.209 20 30 CDEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cn3)CC[C@H]21 ZINC000565159309 365006113 /nfs/dbraw/zinc/00/61/13/365006113.db2.gz XQINBHYYUIZJHY-GOEBONIOSA-N 2 2 270.380 1.869 20 30 CDEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cn3)CC[C@H]21 ZINC000565159309 365006119 /nfs/dbraw/zinc/00/61/19/365006119.db2.gz XQINBHYYUIZJHY-GOEBONIOSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cn3)CC[C@H]21 ZINC000565159309 365006124 /nfs/dbraw/zinc/00/61/24/365006124.db2.gz XQINBHYYUIZJHY-GOEBONIOSA-N 2 2 270.380 1.869 20 30 CDEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cn3)CC[C@H]21 ZINC000565159309 365006129 /nfs/dbraw/zinc/00/61/29/365006129.db2.gz XQINBHYYUIZJHY-GOEBONIOSA-N 2 2 270.380 1.869 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(C)CCCC[C@H]2C)CC1 ZINC000491370830 365067010 /nfs/dbraw/zinc/06/70/10/365067010.db2.gz BGTLLPPUWPPWKR-WBVHZDCISA-N 2 2 291.439 1.322 20 30 CDEDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000270681912 366918493 /nfs/dbraw/zinc/91/84/93/366918493.db2.gz VEDUMJQPDFITAC-UHFFFAOYSA-N 2 2 296.378 1.280 20 30 CDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000305099205 370859707 /nfs/dbraw/zinc/85/97/07/370859707.db2.gz XABQSRYQMXJXEF-CVEARBPZSA-N 2 2 282.428 1.358 20 30 CDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000305099205 370859713 /nfs/dbraw/zinc/85/97/13/370859713.db2.gz XABQSRYQMXJXEF-CVEARBPZSA-N 2 2 282.428 1.358 20 30 CDEDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](C#N)CCC#N)CCCO1 ZINC000573318345 371498819 /nfs/dbraw/zinc/49/88/19/371498819.db2.gz WSJNCQTXBHXJFR-CABCVRRESA-N 2 2 278.400 1.520 20 30 CDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](C#N)CCC#N)CCCO1 ZINC000573318345 371498822 /nfs/dbraw/zinc/49/88/22/371498822.db2.gz WSJNCQTXBHXJFR-CABCVRRESA-N 2 2 278.400 1.520 20 30 CDEDLP COC[C@]1(C[NH2+][C@H](C)c2cccc(C#N)c2)CCC[NH2+]1 ZINC000423412391 374382064 /nfs/dbraw/zinc/38/20/64/374382064.db2.gz HNQSUYOZYPTYIX-CZUORRHYSA-N 2 2 273.380 1.977 20 30 CDEDLP C=CCN1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1=O ZINC000420367691 376337400 /nfs/dbraw/zinc/33/74/00/376337400.db2.gz NCRZYSDIZFFKKZ-KBPBESRZSA-N 2 2 265.401 1.271 20 30 CDEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000072859769 376811493 /nfs/dbraw/zinc/81/14/93/376811493.db2.gz MCFREMQWVAFLDA-KBPBESRZSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000072859769 376811497 /nfs/dbraw/zinc/81/14/97/376811497.db2.gz MCFREMQWVAFLDA-KBPBESRZSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000072859769 376811500 /nfs/dbraw/zinc/81/15/00/376811500.db2.gz MCFREMQWVAFLDA-KBPBESRZSA-N 2 2 280.416 1.021 20 30 CDEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000072859769 376811504 /nfs/dbraw/zinc/81/15/04/376811504.db2.gz MCFREMQWVAFLDA-KBPBESRZSA-N 2 2 280.416 1.021 20 30 CDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CC2 ZINC000453260407 252290569 /nfs/dbraw/zinc/29/05/69/252290569.db2.gz JFFHLDVAQCIXMW-FUHWJXTLSA-N 2 2 299.418 1.982 20 30 CDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CC2 ZINC000453260407 252290572 /nfs/dbraw/zinc/29/05/72/252290572.db2.gz JFFHLDVAQCIXMW-FUHWJXTLSA-N 2 2 299.418 1.982 20 30 CDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CC2 ZINC000453260400 252290809 /nfs/dbraw/zinc/29/08/09/252290809.db2.gz JFFHLDVAQCIXMW-AEFFLSMTSA-N 2 2 299.418 1.982 20 30 CDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CC2 ZINC000453260400 252290812 /nfs/dbraw/zinc/29/08/12/252290812.db2.gz JFFHLDVAQCIXMW-AEFFLSMTSA-N 2 2 299.418 1.982 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000375816045 391198899 /nfs/dbraw/zinc/19/88/99/391198899.db2.gz QJPTUEFSVGUTGF-UHFFFAOYSA-N 2 2 293.455 1.971 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000375816045 391198902 /nfs/dbraw/zinc/19/89/02/391198902.db2.gz QJPTUEFSVGUTGF-UHFFFAOYSA-N 2 2 293.455 1.971 20 30 CDEDLP Cn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C#N ZINC000191284881 130216300 /nfs/dbraw/zinc/21/63/00/130216300.db2.gz DBFAKVBHMUZGPK-UHFFFAOYSA-N 2 2 269.352 1.930 20 30 CDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CCCC1 ZINC000262494599 391792103 /nfs/dbraw/zinc/79/21/03/391792103.db2.gz XBKFMANIGUGUKV-UHFFFAOYSA-N 2 2 278.404 1.094 20 30 CDEDLP C[NH+]=C(NC[C@H](c1ccsc1)[NH+](C)C)N[C@H]1C[C@@H]1C ZINC000262685179 391812849 /nfs/dbraw/zinc/81/28/49/391812849.db2.gz ADLLEVGTORHBAR-WCFLWFBJSA-N 2 2 280.441 1.924 20 30 CDEDLP CN(C)c1[nH+]cc(C[NH2+]CCc2cccc(C#N)c2)n1C ZINC000419736948 392894061 /nfs/dbraw/zinc/89/40/61/392894061.db2.gz XRXUYZQCPNAIOJ-UHFFFAOYSA-N 2 2 283.379 1.690 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655290 413338428 /nfs/dbraw/zinc/33/84/28/413338428.db2.gz LYIXYHPPIHSVLP-HIFRSBDPSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655290 413338433 /nfs/dbraw/zinc/33/84/33/413338433.db2.gz LYIXYHPPIHSVLP-HIFRSBDPSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655290 413338437 /nfs/dbraw/zinc/33/84/37/413338437.db2.gz LYIXYHPPIHSVLP-HIFRSBDPSA-N 2 2 265.401 1.095 20 30 CDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655290 413338444 /nfs/dbraw/zinc/33/84/44/413338444.db2.gz LYIXYHPPIHSVLP-HIFRSBDPSA-N 2 2 265.401 1.095 20 30 CDEDLP CCC#C[C@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696573 413381063 /nfs/dbraw/zinc/38/10/63/413381063.db2.gz NGPCJOCQIWDFTM-HNNXBMFYSA-N 2 2 266.429 1.861 20 30 CDEDLP C=CCCn1cc(C[NH2+]CCCn2cc[nH+]c2)nn1 ZINC000657285637 414106261 /nfs/dbraw/zinc/10/62/61/414106261.db2.gz GGKGRBVILXKKNE-UHFFFAOYSA-N 2 2 260.345 1.231 20 30 CDEDLP N#CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356454281 266117203 /nfs/dbraw/zinc/11/72/03/266117203.db2.gz KVXMCBWBUDXIRN-UHFFFAOYSA-N 2 2 265.401 1.724 20 30 CDEDLP C=CCC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCC1 ZINC000358313198 266452848 /nfs/dbraw/zinc/45/28/48/266452848.db2.gz STQPVYYKJNGDPO-UHFFFAOYSA-N 2 2 293.455 1.875 20 30 CDEDLP Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(C#N)c[nH+]1 ZINC000574567673 295019157 /nfs/dbraw/zinc/01/91/57/295019157.db2.gz PBOCZHFPAREXPI-UONOGXRCSA-N 2 2 258.369 1.968 20 30 CDEDLP C#CC[NH+]1CCC(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000491661850 327795953 /nfs/dbraw/zinc/79/59/53/327795953.db2.gz QCWITRSNYSBBMD-UHFFFAOYSA-N 2 2 271.364 1.982 20 30 CDEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583263253 325140242 /nfs/dbraw/zinc/14/02/42/325140242.db2.gz CWSBQSPCGSFNKK-INIZCTEOSA-N 2 2 296.378 1.129 20 30 CDEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583263253 325140243 /nfs/dbraw/zinc/14/02/43/325140243.db2.gz CWSBQSPCGSFNKK-INIZCTEOSA-N 2 2 296.378 1.129 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583263253 325140246 /nfs/dbraw/zinc/14/02/46/325140246.db2.gz CWSBQSPCGSFNKK-INIZCTEOSA-N 2 2 296.378 1.129 20 30 CDEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583263253 325140248 /nfs/dbraw/zinc/14/02/48/325140248.db2.gz CWSBQSPCGSFNKK-INIZCTEOSA-N 2 2 296.378 1.129 20 30 CDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000422974562 330164678 /nfs/dbraw/zinc/16/46/78/330164678.db2.gz FIIJYHADWLGLIZ-HOCLYGCPSA-N 3 2 281.444 1.384 20 30 CDEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000424133965 330266365 /nfs/dbraw/zinc/26/63/65/330266365.db2.gz NATJMNSEZJCEOQ-AWEZNQCLSA-N 2 2 283.335 1.832 20 30 CDEDLP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccco1 ZINC000428213150 330516043 /nfs/dbraw/zinc/51/60/43/330516043.db2.gz QQIGPMCKJGSKMT-OLZOCXBDSA-N 2 2 252.358 1.799 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000491209481 332166163 /nfs/dbraw/zinc/16/61/63/332166163.db2.gz HVDBBORGSLXGFH-BZUAXINKSA-N 3 2 263.429 1.404 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000491209481 332166164 /nfs/dbraw/zinc/16/61/64/332166164.db2.gz HVDBBORGSLXGFH-BZUAXINKSA-N 3 2 263.429 1.404 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000491209481 332166165 /nfs/dbraw/zinc/16/61/65/332166165.db2.gz HVDBBORGSLXGFH-BZUAXINKSA-N 3 2 263.429 1.404 20 30 CDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000491209481 332166166 /nfs/dbraw/zinc/16/61/66/332166166.db2.gz HVDBBORGSLXGFH-BZUAXINKSA-N 3 2 263.429 1.404 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686594 1162256324 /nfs/dbraw/zinc/25/63/24/1162256324.db2.gz LWRZHHGRKDOMRO-UHFFFAOYSA-N 2 2 253.390 1.047 20 30 CDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001113686594 1162256326 /nfs/dbraw/zinc/25/63/26/1162256326.db2.gz LWRZHHGRKDOMRO-UHFFFAOYSA-N 2 2 253.390 1.047 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000052991537 526615538 /nfs/dbraw/zinc/61/55/38/526615538.db2.gz QBGUDOBYAPRBQC-UHFFFAOYSA-N 2 2 298.434 1.772 20 30 CDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)C[C@@H]1C ZINC000347041741 527832906 /nfs/dbraw/zinc/83/29/06/527832906.db2.gz BJHVPPIWSJORTQ-KBPBESRZSA-N 2 2 292.427 1.353 20 30 CDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)C[C@@H]1C ZINC000347041741 527832910 /nfs/dbraw/zinc/83/29/10/527832910.db2.gz BJHVPPIWSJORTQ-KBPBESRZSA-N 2 2 292.427 1.353 20 30 CDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)C[C@@H]1C ZINC000347041741 527832916 /nfs/dbraw/zinc/83/29/16/527832916.db2.gz BJHVPPIWSJORTQ-KBPBESRZSA-N 2 2 292.427 1.353 20 30 CDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)C[C@@H]1C ZINC000347041741 527832919 /nfs/dbraw/zinc/83/29/19/527832919.db2.gz BJHVPPIWSJORTQ-KBPBESRZSA-N 2 2 292.427 1.353 20 30 CDEDLP C#CCCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000760330790 576477305 /nfs/dbraw/zinc/47/73/05/576477305.db2.gz DCEQWQDONQZQGS-UHFFFAOYSA-N 2 2 279.428 1.274 20 30 CDEDLP C#CCCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000760330790 576477307 /nfs/dbraw/zinc/47/73/07/576477307.db2.gz DCEQWQDONQZQGS-UHFFFAOYSA-N 2 2 279.428 1.274 20 30 CDEDLP CCCCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000754280240 576889952 /nfs/dbraw/zinc/88/99/52/576889952.db2.gz LBBBUHAXRHRJIX-UHFFFAOYSA-N 2 2 291.395 1.956 20 30 CDEDLP C[C@H]1CC(=[NH+]n2cc(Br)cn2)CC[N@H+]1C ZINC000752746693 577122927 /nfs/dbraw/zinc/12/29/27/577122927.db2.gz SWWJBHHXXQHDEP-QMMMGPOBSA-N 2 2 271.162 1.964 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000950367936 613295377 /nfs/dbraw/zinc/29/53/77/613295377.db2.gz SSNIUCOIMXQPLH-JKSUJKDBSA-N 2 2 293.455 1.826 20 30 CDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000950367936 613295378 /nfs/dbraw/zinc/29/53/78/613295378.db2.gz SSNIUCOIMXQPLH-JKSUJKDBSA-N 2 2 293.455 1.826 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449806 613337834 /nfs/dbraw/zinc/33/78/34/613337834.db2.gz DCNDQNNZBKWBEA-CQSZACIVSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449806 613337835 /nfs/dbraw/zinc/33/78/35/613337835.db2.gz DCNDQNNZBKWBEA-CQSZACIVSA-N 2 2 290.411 1.365 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981353185 613347467 /nfs/dbraw/zinc/34/74/67/613347467.db2.gz HRDPUJHGFKOHDI-CHWSQXEVSA-N 2 2 276.384 1.545 20 30 CDEDLP C=CCC[N@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668993 613492300 /nfs/dbraw/zinc/49/23/00/613492300.db2.gz VVCZHMUVTCEMKP-UHFFFAOYSA-N 2 2 290.411 1.463 20 30 CDEDLP C=CCC[N@@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668993 613492301 /nfs/dbraw/zinc/49/23/01/613492301.db2.gz VVCZHMUVTCEMKP-UHFFFAOYSA-N 2 2 290.411 1.463 20 30 CDEDLP C=CCC[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000957336985 613502012 /nfs/dbraw/zinc/50/20/12/613502012.db2.gz CEQLGXYDPCSJOO-UHFFFAOYSA-N 2 2 276.384 1.408 20 30 CDEDLP C=CCC[NH+]1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000949432372 613503097 /nfs/dbraw/zinc/50/30/97/613503097.db2.gz RCPXLYRSCXRRKP-UHFFFAOYSA-N 2 2 276.384 1.073 20 30 CDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000981458935 613550489 /nfs/dbraw/zinc/55/04/89/613550489.db2.gz KRMQIUUQXFIESD-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000981458935 613550492 /nfs/dbraw/zinc/55/04/92/613550492.db2.gz KRMQIUUQXFIESD-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000981458935 613550495 /nfs/dbraw/zinc/55/04/95/613550495.db2.gz KRMQIUUQXFIESD-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000981458935 613550498 /nfs/dbraw/zinc/55/04/98/613550498.db2.gz KRMQIUUQXFIESD-HNNXBMFYSA-N 2 2 277.412 1.028 20 30 CDEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981355008 613872941 /nfs/dbraw/zinc/87/29/41/613872941.db2.gz WMICWKWEFIYNCA-RYUDHWBXSA-N 2 2 262.357 1.155 20 30 CDEDLP CCOCCCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000104153773 617483042 /nfs/dbraw/zinc/48/30/42/617483042.db2.gz KGUDWZVXLNTBRD-OAHLLOKOSA-N 2 2 292.427 1.620 20 30 CDEDLP C(#Cc1ccccc1)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000893707726 617899461 /nfs/dbraw/zinc/89/94/61/617899461.db2.gz XDTTYUJDJZMTIY-OAHLLOKOSA-N 2 2 251.333 1.839 20 30 CDEDLP C=C(C)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266357 1162588046 /nfs/dbraw/zinc/58/80/46/1162588046.db2.gz VZAZUVBSJWYUGE-UHFFFAOYSA-N 2 2 258.325 1.458 20 30 CDEDLP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130406981 1162619238 /nfs/dbraw/zinc/61/92/38/1162619238.db2.gz IVVLKYWEOTUNNF-CYBMUJFWSA-N 2 2 276.384 1.118 20 30 CDEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001752789386 1160294009 /nfs/dbraw/zinc/29/40/09/1160294009.db2.gz ZGWABKPJUFWXIB-AWEZNQCLSA-N 2 2 290.411 1.665 20 30 CDEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001752789386 1160294014 /nfs/dbraw/zinc/29/40/14/1160294014.db2.gz ZGWABKPJUFWXIB-AWEZNQCLSA-N 2 2 290.411 1.665 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132091359 1163167934 /nfs/dbraw/zinc/16/79/34/1163167934.db2.gz WDNGSRVUPKBAEN-HIFRSBDPSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132091359 1163167940 /nfs/dbraw/zinc/16/79/40/1163167940.db2.gz WDNGSRVUPKBAEN-HIFRSBDPSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132091359 1163167949 /nfs/dbraw/zinc/16/79/49/1163167949.db2.gz WDNGSRVUPKBAEN-HIFRSBDPSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132091359 1163167950 /nfs/dbraw/zinc/16/79/50/1163167950.db2.gz WDNGSRVUPKBAEN-HIFRSBDPSA-N 2 2 290.411 1.888 20 30 CDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664432 1163839912 /nfs/dbraw/zinc/83/99/12/1163839912.db2.gz QVBDCBFGGRXPLG-QWHCGFSZSA-N 2 2 290.411 1.890 20 30 CDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001713340715 1178510306 /nfs/dbraw/zinc/51/03/06/1178510306.db2.gz HOFCQXJNWUMVRW-HNNXBMFYSA-N 2 2 290.411 1.820 20 30 CDEDLP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001752648319 1184888961 /nfs/dbraw/zinc/88/89/61/1184888961.db2.gz ZTJHTLHVXDRFNH-HDJSIYSDSA-N 2 2 290.411 1.556 20 30 CDEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001753449514 1185213886 /nfs/dbraw/zinc/21/38/86/1185213886.db2.gz GNNNOOGSUOEDBY-IRXDYDNUSA-N 2 2 299.418 1.455 20 30 CDEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001753449514 1185213891 /nfs/dbraw/zinc/21/38/91/1185213891.db2.gz GNNNOOGSUOEDBY-IRXDYDNUSA-N 2 2 299.418 1.455 20 30 CDEDLP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001753816063 1185342706 /nfs/dbraw/zinc/34/27/06/1185342706.db2.gz QQVBMNNKEWUIRU-GJZGRUSLSA-N 2 2 290.411 1.676 20 30 CDEDLP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001753901761 1185387133 /nfs/dbraw/zinc/38/71/33/1185387133.db2.gz LYJANSIGKWPOLR-CABCVRRESA-N 2 2 290.411 1.724 20 30 CDEDLP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001755195391 1185848190 /nfs/dbraw/zinc/84/81/90/1185848190.db2.gz OSIBEGMQWNWAIS-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001755195391 1185848196 /nfs/dbraw/zinc/84/81/96/1185848196.db2.gz OSIBEGMQWNWAIS-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001755195391 1185848202 /nfs/dbraw/zinc/84/82/02/1185848202.db2.gz OSIBEGMQWNWAIS-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001755195391 1185848210 /nfs/dbraw/zinc/84/82/10/1185848210.db2.gz OSIBEGMQWNWAIS-OAHLLOKOSA-N 2 2 290.411 1.841 20 30 CDEDLP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001755285958 1185889893 /nfs/dbraw/zinc/88/98/93/1185889893.db2.gz OZRWXYLXKCOVER-CYBMUJFWSA-N 2 2 290.411 1.296 20 30 CDEDLP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001755285958 1185889899 /nfs/dbraw/zinc/88/98/99/1185889899.db2.gz OZRWXYLXKCOVER-CYBMUJFWSA-N 2 2 290.411 1.296 20 30 CDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001755656614 1186027490 /nfs/dbraw/zinc/02/74/90/1186027490.db2.gz QTJOYWNMHZYQHT-TZMCWYRMSA-N 2 2 296.374 1.779 20 30 CDEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC000996365955 711853644 /nfs/dbraw/zinc/85/36/44/711853644.db2.gz YQLUGUUUNPLHQD-UONOGXRCSA-N 2 2 288.395 1.294 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001042848130 711873851 /nfs/dbraw/zinc/87/38/51/711873851.db2.gz LKMCHROZNOMXLK-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001042848130 711873853 /nfs/dbraw/zinc/87/38/53/711873853.db2.gz LKMCHROZNOMXLK-HNNXBMFYSA-N 2 2 279.428 1.580 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001036124954 711881354 /nfs/dbraw/zinc/88/13/54/711881354.db2.gz JUTBMDGSVUSBBJ-HUUCEWRRSA-N 2 2 290.411 1.676 20 30 CDEDLP N#Cc1cccc(C2([NH2+]C[C@@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000775430769 711927366 /nfs/dbraw/zinc/92/73/66/711927366.db2.gz JALHFUSWBTVMCL-MRXNPFEDSA-N 2 2 285.391 1.594 20 30 CDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997086871 711930028 /nfs/dbraw/zinc/93/00/28/711930028.db2.gz VXIODRNHVRGHDH-ZDUSSCGKSA-N 2 2 290.411 1.745 20 30 CDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997086871 711930030 /nfs/dbraw/zinc/93/00/30/711930030.db2.gz VXIODRNHVRGHDH-ZDUSSCGKSA-N 2 2 290.411 1.745 20 30 CDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000986421913 711969453 /nfs/dbraw/zinc/96/94/53/711969453.db2.gz FNCUTLWWTVLVAX-AAEUAGOBSA-N 2 2 282.347 1.389 20 30 CDEDLP N#CC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930456388 712109874 /nfs/dbraw/zinc/10/98/74/712109874.db2.gz GFMMKEPAKSPVHL-MSOLQXFVSA-N 2 2 299.418 1.859 20 30 CDEDLP N#CC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930456388 712109875 /nfs/dbraw/zinc/10/98/75/712109875.db2.gz GFMMKEPAKSPVHL-MSOLQXFVSA-N 2 2 299.418 1.859 20 30 CDEDLP N#CC[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930456388 712109876 /nfs/dbraw/zinc/10/98/76/712109876.db2.gz GFMMKEPAKSPVHL-MSOLQXFVSA-N 2 2 299.418 1.859 20 30 CDEDLP N#CC[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930456388 712109877 /nfs/dbraw/zinc/10/98/77/712109877.db2.gz GFMMKEPAKSPVHL-MSOLQXFVSA-N 2 2 299.418 1.859 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027631498 712145519 /nfs/dbraw/zinc/14/55/19/712145519.db2.gz URAPRPMZUCDNQT-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027631498 712145525 /nfs/dbraw/zinc/14/55/25/712145525.db2.gz URAPRPMZUCDNQT-CYBMUJFWSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C ZINC000986213566 712220431 /nfs/dbraw/zinc/22/04/31/712220431.db2.gz NHVHDFPXUHGYHB-OLZOCXBDSA-N 2 2 276.384 1.497 20 30 CDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC000986543222 712293319 /nfs/dbraw/zinc/29/33/19/712293319.db2.gz ILJGXZAUVNBGME-QWHCGFSZSA-N 2 2 284.363 1.713 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048873734 712300486 /nfs/dbraw/zinc/30/04/86/712300486.db2.gz UVCULCMBSRLJDV-XJFOESAGSA-N 2 2 286.379 1.089 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048873734 712300488 /nfs/dbraw/zinc/30/04/88/712300488.db2.gz UVCULCMBSRLJDV-XJFOESAGSA-N 2 2 286.379 1.089 20 30 CDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048873734 712300489 /nfs/dbraw/zinc/30/04/89/712300489.db2.gz UVCULCMBSRLJDV-XJFOESAGSA-N 2 2 286.379 1.089 20 30 CDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048873734 712300491 /nfs/dbraw/zinc/30/04/91/712300491.db2.gz UVCULCMBSRLJDV-XJFOESAGSA-N 2 2 286.379 1.089 20 30 CDEDLP C[C@H](C#N)OCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000802731635 712322059 /nfs/dbraw/zinc/32/20/59/712322059.db2.gz VLYHCFOBGDOLBT-GFCCVEGCSA-N 2 2 290.367 1.314 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC=C ZINC001027940671 712342091 /nfs/dbraw/zinc/34/20/91/712342091.db2.gz QICPPLKQHLQENO-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC=C ZINC001027940671 712342093 /nfs/dbraw/zinc/34/20/93/712342093.db2.gz QICPPLKQHLQENO-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC=C ZINC001027940671 712342094 /nfs/dbraw/zinc/34/20/94/712342094.db2.gz QICPPLKQHLQENO-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC=C ZINC001027940671 712342095 /nfs/dbraw/zinc/34/20/95/712342095.db2.gz QICPPLKQHLQENO-CVEARBPZSA-N 2 2 289.423 1.241 20 30 CDEDLP C[NH+]1CCN([NH+]=C2CCCCc3ccc(N)cc32)CC1 ZINC000817321222 712415251 /nfs/dbraw/zinc/41/52/51/712415251.db2.gz GMHAMRLZMXTSIC-UHFFFAOYSA-N 2 2 272.396 1.947 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCC(=O)N2)CC1 ZINC000813325321 712708832 /nfs/dbraw/zinc/70/88/32/712708832.db2.gz BRMHYUAMGDZKMJ-OCCSQVGLSA-N 2 2 265.401 1.284 20 30 CDEDLP CCC(CC)[C@@H](CNC(=[NH2+])NCC(C)C)[NH+]1CCOCC1 ZINC000303778892 712736285 /nfs/dbraw/zinc/73/62/85/712736285.db2.gz KBDBESCVMNJRRR-OAHLLOKOSA-N 2 2 298.475 1.684 20 30 CDEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001020441907 894101243 /nfs/dbraw/zinc/10/12/43/894101243.db2.gz TUYWWEYHYUSYIN-SHTZXODSSA-N 2 2 294.358 1.356 20 30 CDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419713 913910034 /nfs/dbraw/zinc/91/00/34/913910034.db2.gz SEWCSXNJWFKACY-ZIAGYGMSSA-N 2 2 298.390 1.818 20 30 CDEDLP C=CCCC[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528822 896708224 /nfs/dbraw/zinc/70/82/24/896708224.db2.gz LYIZTUXFVKWQST-UHFFFAOYSA-N 2 2 290.411 1.795 20 30 CDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176402256 914107143 /nfs/dbraw/zinc/10/71/43/914107143.db2.gz SYOPOOIFFTVWIV-AWEZNQCLSA-N 2 2 292.427 1.803 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](C)CC)C1 ZINC001032827120 921219646 /nfs/dbraw/zinc/21/96/46/921219646.db2.gz CDYUFMLTUBWSPK-JYJNAYRXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001032827120 921219649 /nfs/dbraw/zinc/21/96/49/921219649.db2.gz CDYUFMLTUBWSPK-JYJNAYRXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](C)CC)C1 ZINC001032827120 921219652 /nfs/dbraw/zinc/21/96/52/921219652.db2.gz CDYUFMLTUBWSPK-JYJNAYRXSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](C)CC)C1 ZINC001032827120 921219657 /nfs/dbraw/zinc/21/96/57/921219657.db2.gz CDYUFMLTUBWSPK-JYJNAYRXSA-N 2 2 291.439 1.321 20 30 CDEDLP CC#CC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001101063388 909462569 /nfs/dbraw/zinc/46/25/69/909462569.db2.gz ABYGHHPKQFGYLL-UHFFFAOYSA-N 2 2 288.395 1.171 20 30 CDEDLP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001094908338 911633249 /nfs/dbraw/zinc/63/32/49/911633249.db2.gz ATYOXMRDOVLXSC-MJBXVCDLSA-N 2 2 288.395 1.497 20 30 CDEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249348 936433831 /nfs/dbraw/zinc/43/38/31/936433831.db2.gz SSJXIAFRJRIATO-MRXNPFEDSA-N 2 2 288.395 1.384 20 30 CDEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249348 936433834 /nfs/dbraw/zinc/43/38/34/936433834.db2.gz SSJXIAFRJRIATO-MRXNPFEDSA-N 2 2 288.395 1.384 20 30 CDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001054952389 936479881 /nfs/dbraw/zinc/47/98/81/936479881.db2.gz SJPQQKGXNJGCOL-UONOGXRCSA-N 2 2 276.384 1.286 20 30 CDEDLP C#CC[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC000996365951 918251540 /nfs/dbraw/zinc/25/15/40/918251540.db2.gz YQLUGUUUNPLHQD-KGLIPLIRSA-N 2 2 288.395 1.294 20 30 CDEDLP C=CCC[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001050708832 936562751 /nfs/dbraw/zinc/56/27/51/936562751.db2.gz ACYGMXJNHRURMZ-UHFFFAOYSA-N 2 2 288.395 1.453 20 30 CDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001032493053 919231223 /nfs/dbraw/zinc/23/12/23/919231223.db2.gz JPMMOFULBKRHSY-HRCADAONSA-N 2 2 289.423 1.025 20 30 CDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001032493053 919231234 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C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368641 920993326 /nfs/dbraw/zinc/99/33/26/920993326.db2.gz HQBURISMGHDOJR-ZIAGYGMSSA-N 2 2 276.384 1.428 20 30 CDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192133 922037363 /nfs/dbraw/zinc/03/73/63/922037363.db2.gz NZDQLIIBENHCOM-ZDUSSCGKSA-N 2 2 284.363 1.895 20 30 CDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192133 922037378 /nfs/dbraw/zinc/03/73/78/922037378.db2.gz NZDQLIIBENHCOM-ZDUSSCGKSA-N 2 2 284.363 1.895 20 30 CDEDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001325743070 922496019 /nfs/dbraw/zinc/49/60/19/922496019.db2.gz JDUDAKDXBSYTEJ-WFASDCNBSA-N 2 2 259.353 1.677 20 30 CDEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034277910 922578128 /nfs/dbraw/zinc/57/81/28/922578128.db2.gz UGNUJVWADQCYAT-HUUCEWRRSA-N 2 2 277.412 1.075 20 30 CDEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034277910 922578148 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/nfs/dbraw/zinc/82/84/67/975828467.db2.gz YUJQRVQYMKZECA-VIFPVBQESA-N 2 2 270.764 1.107 20 30 CDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001402571112 976369585 /nfs/dbraw/zinc/36/95/85/976369585.db2.gz KFDGRGZOYZGNDT-UHFFFAOYSA-N 2 2 296.802 1.642 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000593961735 342857856 /nfs/dbraw/zinc/85/78/56/342857856.db2.gz LZNOKWZVYAWQJS-UHFFFAOYSA-N 2 2 279.347 1.670 20 30 CDEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594612792 342927385 /nfs/dbraw/zinc/92/73/85/342927385.db2.gz REMJKFJIXNEQAU-GXTWGEPZSA-N 2 2 251.374 1.522 20 30 CDEDLP N#CCCN(CC[NH+]1CCCCC1)CC[NH+]1CCOCC1 ZINC000078696382 342339725 /nfs/dbraw/zinc/33/97/25/342339725.db2.gz CCVFUTBSQZRCGV-UHFFFAOYSA-N 2 2 294.443 1.020 20 30 CDEDLP C=CCC[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000597182619 343477916 /nfs/dbraw/zinc/47/79/16/343477916.db2.gz CNJNSCSEQFCGQM-UHFFFAOYSA-N 2 2 254.374 1.570 20 30 CDEDLP CC#CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000159958078 362382785 /nfs/dbraw/zinc/38/27/85/362382785.db2.gz GRVCYIISEDDJTL-IYBDPMFKSA-N 2 2 263.429 1.500 20 30 CDEDLP CC#CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000159958078 362382788 /nfs/dbraw/zinc/38/27/88/362382788.db2.gz GRVCYIISEDDJTL-IYBDPMFKSA-N 2 2 263.429 1.500 20 30 CDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+](C)C)CC1 ZINC000602694753 344542109 /nfs/dbraw/zinc/54/21/09/344542109.db2.gz JAMHTNMFYDZVTD-CYBMUJFWSA-N 2 2 265.401 1.769 20 30 CDEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC000602639451 350134412 /nfs/dbraw/zinc/13/44/12/350134412.db2.gz SBDMMHQCLMPKNU-OAHLLOKOSA-N 2 2 258.369 1.869 20 30 CDEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000602639451 350134417 /nfs/dbraw/zinc/13/44/17/350134417.db2.gz SBDMMHQCLMPKNU-OAHLLOKOSA-N 2 2 258.369 1.869 20 30 CDEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C#N)n1 ZINC000602661022 350139079 /nfs/dbraw/zinc/13/90/79/350139079.db2.gz AZZLMJHDTYMMSE-UHFFFAOYSA-N 2 2 255.325 1.672 20 30 CDEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C#N)n1 ZINC000602661022 350139083 /nfs/dbraw/zinc/13/90/83/350139083.db2.gz AZZLMJHDTYMMSE-UHFFFAOYSA-N 2 2 255.325 1.672 20 30 CDEDLP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001659503310 1172121051 /nfs/dbraw/zinc/12/10/51/1172121051.db2.gz ARMVTZALIIJHAX-NWANDNLSSA-N 2 2 263.385 1.522 20 30 CDEDLP CC(C)[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000603893001 350326739 /nfs/dbraw/zinc/32/67/39/350326739.db2.gz QFMDIMFQAMGVAT-UHFFFAOYSA-N 2 2 298.394 1.563 20 30 CDEDLP CNC(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)=[NH+]C ZINC000264131819 362974390 /nfs/dbraw/zinc/97/43/90/362974390.db2.gz YCTJVAHUUQNRLG-SNVBAGLBSA-N 2 2 266.414 1.290 20 30 CDEDLP CNC(NC[C@@H](C)[N@H+]1CCc2sccc2C1)=[NH+]C ZINC000264131819 362974394 /nfs/dbraw/zinc/97/43/94/362974394.db2.gz YCTJVAHUUQNRLG-SNVBAGLBSA-N 2 2 266.414 1.290 20 30 CDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2[nH+]ccn2C)CC1 ZINC000264345346 359308513 /nfs/dbraw/zinc/30/85/13/359308513.db2.gz DASISUZPXOOONT-UHFFFAOYSA-N 2 2 291.399 1.260 20 30 CDEDLP N#Cc1ccc(F)c(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000571618537 359591385 /nfs/dbraw/zinc/59/13/85/359591385.db2.gz UGSXDYKVYGKOMP-UHFFFAOYSA-N 2 2 285.326 1.743 20 30 CDEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986540 541960932 /nfs/dbraw/zinc/96/09/32/541960932.db2.gz VKRVIORXPPNSAH-JKSUJKDBSA-N 2 2 282.428 1.500 20 30 CDEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986540 541960938 /nfs/dbraw/zinc/96/09/38/541960938.db2.gz VKRVIORXPPNSAH-JKSUJKDBSA-N 2 2 282.428 1.500 20 30 CDEDLP C[N@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420918551 376472998 /nfs/dbraw/zinc/47/29/98/376472998.db2.gz WMIHGGRLUPSQJV-UHFFFAOYSA-N 2 2 273.380 1.864 20 30 CDEDLP C[N@@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420918551 376473006 /nfs/dbraw/zinc/47/30/06/376473006.db2.gz WMIHGGRLUPSQJV-UHFFFAOYSA-N 2 2 273.380 1.864 20 30 CDEDLP C#CCCOc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000131348037 377656037 /nfs/dbraw/zinc/65/60/37/377656037.db2.gz OWMXZXMSRIZABN-KRWDZBQOSA-N 2 2 290.407 1.491 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152440294 390664353 /nfs/dbraw/zinc/66/43/53/390664353.db2.gz ZLJDFDZXTPQYEJ-HNNXBMFYSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152440294 390664356 /nfs/dbraw/zinc/66/43/56/390664356.db2.gz ZLJDFDZXTPQYEJ-HNNXBMFYSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152440294 390664360 /nfs/dbraw/zinc/66/43/60/390664360.db2.gz ZLJDFDZXTPQYEJ-HNNXBMFYSA-N 2 2 281.444 1.685 20 30 CDEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152440294 390664362 /nfs/dbraw/zinc/66/43/62/390664362.db2.gz ZLJDFDZXTPQYEJ-HNNXBMFYSA-N 2 2 281.444 1.685 20 30 CDEDLP Cc1ccc([C@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)cc1 ZINC000262686827 391812981 /nfs/dbraw/zinc/81/29/81/391812981.db2.gz YQOAZQRFGZLGDU-JSGCOSHPSA-N 2 2 260.385 1.535 20 30 CDEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)N[C@H]1C[C@@H]1C ZINC000262825627 391831039 /nfs/dbraw/zinc/83/10/39/391831039.db2.gz QIGBDLLBYUIPEZ-SDDRHHMPSA-N 2 2 280.441 1.924 20 30 CDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)nn1 ZINC000657295296 414132031 /nfs/dbraw/zinc/13/20/31/414132031.db2.gz NMSOHYDINDOSEA-UHFFFAOYSA-N 2 2 275.400 1.571 20 30 CDEDLP C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000301492762 262201570 /nfs/dbraw/zinc/20/15/70/262201570.db2.gz QFYSPLVACPNEBU-AWEZNQCLSA-N 2 2 267.417 1.437 20 30 CDEDLP C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000301492762 262201571 /nfs/dbraw/zinc/20/15/71/262201571.db2.gz QFYSPLVACPNEBU-AWEZNQCLSA-N 2 2 267.417 1.437 20 30 CDEDLP C[C@@H]1C[NH+]=C(NC[C@H](c2ccco2)[NH+]2CCCCC2)N1 ZINC000262670099 262782220 /nfs/dbraw/zinc/78/22/20/262782220.db2.gz QOQZMENSRQRIOW-CHWSQXEVSA-N 2 2 276.384 1.744 20 30 CDEDLP CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000264098627 262870403 /nfs/dbraw/zinc/87/04/03/262870403.db2.gz NGMWMRKBXXRTGH-VIFPVBQESA-N 2 2 252.387 1.029 20 30 CDEDLP CNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000264098627 262870405 /nfs/dbraw/zinc/87/04/05/262870405.db2.gz NGMWMRKBXXRTGH-VIFPVBQESA-N 2 2 252.387 1.029 20 30 CDEDLP C=CCc1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc(OC)c1O ZINC000415092040 263272681 /nfs/dbraw/zinc/27/26/81/263272681.db2.gz DZCGYUKKIRCSHJ-CQSZACIVSA-N 2 2 292.379 1.207 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430568249 263296218 /nfs/dbraw/zinc/29/62/18/263296218.db2.gz JXDVHCDKFHEBQA-CQSZACIVSA-N 2 2 253.390 1.150 20 30 CDEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000563375264 328058430 /nfs/dbraw/zinc/05/84/30/328058430.db2.gz ULSIUXCBBMPPIL-CYBMUJFWSA-N 2 2 291.399 1.282 20 30 CDEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000563375264 328058431 /nfs/dbraw/zinc/05/84/31/328058431.db2.gz ULSIUXCBBMPPIL-CYBMUJFWSA-N 2 2 291.399 1.282 20 30 CDEDLP CN(C(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C1CC1 ZINC000273335624 328205023 /nfs/dbraw/zinc/20/50/23/328205023.db2.gz KVIBOQYCNJOTHE-AWEZNQCLSA-N 2 2 278.375 1.837 20 30 CDEDLP CN(C(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C)C1CC1 ZINC000273335627 328205065 /nfs/dbraw/zinc/20/50/65/328205065.db2.gz KVIBOQYCNJOTHE-CQSZACIVSA-N 2 2 278.375 1.837 20 30 CDEDLP C#CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188293200 329367339 /nfs/dbraw/zinc/36/73/39/329367339.db2.gz MQUYDSFIEGVZDD-INIZCTEOSA-N 2 2 258.365 1.188 20 30 CDEDLP C#CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188293200 329367340 /nfs/dbraw/zinc/36/73/40/329367340.db2.gz MQUYDSFIEGVZDD-INIZCTEOSA-N 2 2 258.365 1.188 20 30 CDEDLP C#CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188293200 329367342 /nfs/dbraw/zinc/36/73/42/329367342.db2.gz MQUYDSFIEGVZDD-INIZCTEOSA-N 2 2 258.365 1.188 20 30 CDEDLP C#CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188293200 329367343 /nfs/dbraw/zinc/36/73/43/329367343.db2.gz MQUYDSFIEGVZDD-INIZCTEOSA-N 2 2 258.365 1.188 20 30 CDEDLP C=CCCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422017048 330116769 /nfs/dbraw/zinc/11/67/69/330116769.db2.gz ITVCFEQZFGOGQF-UHFFFAOYSA-N 2 2 293.455 1.971 20 30 CDEDLP C=CCCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422017048 330116771 /nfs/dbraw/zinc/11/67/71/330116771.db2.gz ITVCFEQZFGOGQF-UHFFFAOYSA-N 2 2 293.455 1.971 20 30 CDEDLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424138885 330277968 /nfs/dbraw/zinc/27/79/68/330277968.db2.gz QPSUZPFQQPWIBF-CYBMUJFWSA-N 2 2 299.378 1.482 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000490950154 332132466 /nfs/dbraw/zinc/13/24/66/332132466.db2.gz OWSNVHVSVMYTQB-INIZCTEOSA-N 2 2 289.423 1.052 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000490950154 332132467 /nfs/dbraw/zinc/13/24/67/332132467.db2.gz OWSNVHVSVMYTQB-INIZCTEOSA-N 2 2 289.423 1.052 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)CCCC)CC1 ZINC000491642966 332261942 /nfs/dbraw/zinc/26/19/42/332261942.db2.gz ZHIDBHBXUJZBDB-HNNXBMFYSA-N 2 2 279.428 1.274 20 30 CDEDLP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001754582997 1159297548 /nfs/dbraw/zinc/29/75/48/1159297548.db2.gz JRXZQKHYULCGAB-LBPRGKRZSA-N 2 2 276.384 1.450 20 30 CDEDLP COCC#CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000677817851 482293813 /nfs/dbraw/zinc/29/38/13/482293813.db2.gz QQULGSMZJKIGMW-OAHLLOKOSA-N 2 2 250.386 1.587 20 30 CDEDLP COCC#CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000677817851 482293819 /nfs/dbraw/zinc/29/38/19/482293819.db2.gz QQULGSMZJKIGMW-OAHLLOKOSA-N 2 2 250.386 1.587 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001113438938 1162175465 /nfs/dbraw/zinc/17/54/65/1162175465.db2.gz QEBUJOKGNBZNLC-UHFFFAOYSA-N 2 2 281.444 1.829 20 30 CDEDLP C=CC[NH+]1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001113438938 1162175468 /nfs/dbraw/zinc/17/54/68/1162175468.db2.gz QEBUJOKGNBZNLC-UHFFFAOYSA-N 2 2 281.444 1.829 20 30 CDEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113724026 1162267483 /nfs/dbraw/zinc/26/74/83/1162267483.db2.gz CJDQDTKDDKWEOO-CQSZACIVSA-N 2 2 276.384 1.382 20 30 CDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000730098575 574849445 /nfs/dbraw/zinc/84/94/45/574849445.db2.gz JTFMUYZGCJRONI-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000730098575 574849446 /nfs/dbraw/zinc/84/94/46/574849446.db2.gz JTFMUYZGCJRONI-CVEARBPZSA-N 2 2 291.439 1.321 20 30 CDEDLP C#CCCC[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000766916490 576146173 /nfs/dbraw/zinc/14/61/73/576146173.db2.gz GGDPTQQPEIPXRP-GFCCVEGCSA-N 2 2 251.399 1.509 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCCCC=C)CC1 ZINC000748822423 576927815 /nfs/dbraw/zinc/92/78/15/576927815.db2.gz ZYPYXEMTCZPXOJ-UHFFFAOYSA-N 2 2 291.439 1.442 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCCCC=C)CC1 ZINC000748822423 576927816 /nfs/dbraw/zinc/92/78/16/576927816.db2.gz ZYPYXEMTCZPXOJ-UHFFFAOYSA-N 2 2 291.439 1.442 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981146842 613155600 /nfs/dbraw/zinc/15/56/00/613155600.db2.gz FYMDJJDAUPDWPH-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981146842 613155601 /nfs/dbraw/zinc/15/56/01/613155601.db2.gz FYMDJJDAUPDWPH-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981146842 613155602 /nfs/dbraw/zinc/15/56/02/613155602.db2.gz FYMDJJDAUPDWPH-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981146842 613155603 /nfs/dbraw/zinc/15/56/03/613155603.db2.gz FYMDJJDAUPDWPH-OAHLLOKOSA-N 2 2 277.412 1.027 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296904 613283549 /nfs/dbraw/zinc/28/35/49/613283549.db2.gz VRCKFRSTATZHPJ-OAHLLOKOSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296904 613283550 /nfs/dbraw/zinc/28/35/50/613283550.db2.gz VRCKFRSTATZHPJ-OAHLLOKOSA-N 2 2 290.411 1.462 20 30 CDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980404428 613369749 /nfs/dbraw/zinc/36/97/49/613369749.db2.gz AXHWUBKPPGFCDF-ZDUSSCGKSA-N 2 2 285.819 1.367 20 30 CDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980404428 613369750 /nfs/dbraw/zinc/36/97/50/613369750.db2.gz AXHWUBKPPGFCDF-ZDUSSCGKSA-N 2 2 285.819 1.367 20 30 CDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810429 613615990 /nfs/dbraw/zinc/61/59/90/613615990.db2.gz FQHDDEFVQJKLQG-ZIAGYGMSSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810429 613615991 /nfs/dbraw/zinc/61/59/91/613615991.db2.gz FQHDDEFVQJKLQG-ZIAGYGMSSA-N 2 2 288.395 1.164 20 30 CDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970407811 613663253 /nfs/dbraw/zinc/66/32/53/613663253.db2.gz PVLRVVSOCCFOPC-YPMHNXCESA-N 2 2 288.395 1.452 20 30 CDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969995260 613663271 /nfs/dbraw/zinc/66/32/71/613663271.db2.gz CQLLNLGVZKAIEA-OLZOCXBDSA-N 2 2 288.395 1.068 20 30 CDEDLP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981457977 613860477 /nfs/dbraw/zinc/86/04/77/613860477.db2.gz SJSNXUSYFIHNCH-CHWSQXEVSA-N 2 2 276.384 1.166 20 30 CDEDLP Cc1ccc([C@H](CNC(=[NH2+])NC(C)C)[NH+](C)C)cc1 ZINC000104176104 617483790 /nfs/dbraw/zinc/48/37/90/617483790.db2.gz BXATUXYKQWTSNZ-AWEZNQCLSA-N 2 2 262.401 1.910 20 30 CDEDLP C[C@H]([NH2+]CCNc1ccc(C#N)cn1)[C@H]1CCCC[NH2+]1 ZINC000925894409 617989753 /nfs/dbraw/zinc/98/97/53/617989753.db2.gz YDBNVUYQFANNRZ-GXTWGEPZSA-N 2 2 273.384 1.485 20 30 CDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000894863480 619106881 /nfs/dbraw/zinc/10/68/81/619106881.db2.gz FJWCAOAMSHFLID-UHFFFAOYSA-N 2 2 278.352 1.419 20 30 CDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000894863480 619106883 /nfs/dbraw/zinc/10/68/83/619106883.db2.gz 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Cc1ccnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1C#N ZINC001158260286 938601486 /nfs/dbraw/zinc/60/14/86/938601486.db2.gz ZYPDPFFZPZHTSD-CYBMUJFWSA-N 2 2 285.395 1.264 20 30 CDEDLP Cc1ccnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1C#N ZINC001158260286 938601489 /nfs/dbraw/zinc/60/14/89/938601489.db2.gz ZYPDPFFZPZHTSD-CYBMUJFWSA-N 2 2 285.395 1.264 20 30 CDEDLP C=CCN(C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1CCCCC1 ZINC001161247968 938882705 /nfs/dbraw/zinc/88/27/05/938882705.db2.gz NYEOFLZLLJNJAB-XJKSGUPXSA-N 2 2 277.412 1.285 20 30 CDEDLP C=CCn1ccc2c1nc[nH+]c2NC[C@H]1C[N@H+](C)CCO1 ZINC001162682926 939115334 /nfs/dbraw/zinc/11/53/34/939115334.db2.gz KQNPPBMZKGYGEZ-LBPRGKRZSA-N 2 2 287.367 1.360 20 30 CDEDLP C=CCn1ccc2c1nc[nH+]c2NC[C@H]1C[N@@H+](C)CCO1 ZINC001162682926 939115336 /nfs/dbraw/zinc/11/53/36/939115336.db2.gz KQNPPBMZKGYGEZ-LBPRGKRZSA-N 2 2 287.367 1.360 20 30 CDEDLP N#CCc1ccc[nH+]c1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163083477 939195225 /nfs/dbraw/zinc/19/52/25/939195225.db2.gz YJXJPMULYWHNJH-ZDUSSCGKSA-N 2 2 272.352 1.328 20 30 CDEDLP Cc1ccc(CC#N)c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]1 ZINC001165148178 939518364 /nfs/dbraw/zinc/51/83/64/939518364.db2.gz ICRIBSAHUKBANY-OKILXGFUSA-N 2 2 256.353 1.454 20 30 CDEDLP Cc1ccc(CC#N)c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]1 ZINC001165148178 939518367 /nfs/dbraw/zinc/51/83/67/939518367.db2.gz ICRIBSAHUKBANY-OKILXGFUSA-N 2 2 256.353 1.454 20 30 CDEDLP C=CC[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001206905593 940109442 /nfs/dbraw/zinc/10/94/42/940109442.db2.gz DLMLORAMJXZMFL-UHFFFAOYSA-N 2 2 290.411 1.367 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985426 940418758 /nfs/dbraw/zinc/41/87/58/940418758.db2.gz SIOBMGQYLOPDRM-RBSFLKMASA-N 2 2 290.411 1.847 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985426 940418760 /nfs/dbraw/zinc/41/87/60/940418760.db2.gz SIOBMGQYLOPDRM-RBSFLKMASA-N 2 2 290.411 1.847 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210051083 940659578 /nfs/dbraw/zinc/65/95/78/940659578.db2.gz GSOKWYZABKHDRQ-UONOGXRCSA-N 2 2 290.411 1.745 20 30 CDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051083 940659579 /nfs/dbraw/zinc/65/95/79/940659579.db2.gz GSOKWYZABKHDRQ-UONOGXRCSA-N 2 2 290.411 1.745 20 30 CDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215134504 940859924 /nfs/dbraw/zinc/85/99/24/940859924.db2.gz QQAHLOTTXPUOGV-ZIAGYGMSSA-N 2 2 296.374 1.408 20 30 CDEDLP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCC#N)C2 ZINC001277943090 944148076 /nfs/dbraw/zinc/14/80/76/944148076.db2.gz MYOHUXHFAQQBAV-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCC#N)C2 ZINC001277943090 944148080 /nfs/dbraw/zinc/14/80/80/944148080.db2.gz MYOHUXHFAQQBAV-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCC#N)C2 ZINC001277943090 944148081 /nfs/dbraw/zinc/14/80/81/944148081.db2.gz MYOHUXHFAQQBAV-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCC#N)C2 ZINC001277943090 944148083 /nfs/dbraw/zinc/14/80/83/944148083.db2.gz MYOHUXHFAQQBAV-MRXNPFEDSA-N 2 2 292.427 1.166 20 30 CDEDLP N#CCC1CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246145011 947986567 /nfs/dbraw/zinc/98/65/67/947986567.db2.gz LITAGRAUCNAOAK-GPANFISMSA-N 3 2 290.455 1.923 20 30 CDEDLP C=C1C[C@@H]2CC([NH2+][C@H]3C[NH2+]C[C@@H]3OC)C[C@H](C1)C2 ZINC001246238205 948047206 /nfs/dbraw/zinc/04/72/06/948047206.db2.gz CWVBBZIZCINBRR-AWQNUYMJSA-N 2 2 250.386 1.698 20 30 CDEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@@H](OC)[C@@H]([NH3+])C3)C[C@H](C1)C2 ZINC001246983034 948560396 /nfs/dbraw/zinc/56/03/96/948560396.db2.gz NUNPQXVTRTZDJS-FIBILERRSA-N 2 2 250.386 1.779 20 30 CDEDLP C=C1C[C@@H]2CC([N@H+]3C[C@@H](OC)[C@@H]([NH3+])C3)C[C@H](C1)C2 ZINC001246983034 948560402 /nfs/dbraw/zinc/56/04/02/948560402.db2.gz NUNPQXVTRTZDJS-FIBILERRSA-N 2 2 250.386 1.779 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001366738262 957156939 /nfs/dbraw/zinc/15/69/39/957156939.db2.gz MQHOHAMPXXRDBS-ZDUSSCGKSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001366738262 957156946 /nfs/dbraw/zinc/15/69/46/957156946.db2.gz MQHOHAMPXXRDBS-ZDUSSCGKSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001366738262 957156952 /nfs/dbraw/zinc/15/69/52/957156952.db2.gz MQHOHAMPXXRDBS-ZDUSSCGKSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001366738262 957156963 /nfs/dbraw/zinc/15/69/63/957156963.db2.gz MQHOHAMPXXRDBS-ZDUSSCGKSA-N 2 2 285.819 1.414 20 30 CDEDLP C#CCC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100445963 968379219 /nfs/dbraw/zinc/37/92/19/968379219.db2.gz IAVYPYXPYQLOCR-UHFFFAOYSA-N 2 2 296.374 1.684 20 30 CDEDLP Cc1cccn2cc(CCNC3=[NH+]C[C@H](C)N3)[nH+]c12 ZINC000849003236 969397420 /nfs/dbraw/zinc/39/74/20/969397420.db2.gz YRXLYBDRTJCFNG-NSHDSACASA-N 2 2 257.341 1.123 20 30 CDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402178256 976164025 /nfs/dbraw/zinc/16/40/25/976164025.db2.gz ZLYNRZNTWJFOLE-GFCCVEGCSA-N 2 2 285.819 1.414 20 30 CDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402178256 976164034 /nfs/dbraw/zinc/16/40/34/976164034.db2.gz ZLYNRZNTWJFOLE-GFCCVEGCSA-N 2 2 285.819 1.414 20 30 CDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221146 1163203243 /nfs/dbraw/zinc/20/32/43/1163203243.db2.gz CLBFSKPEDHWQFA-GJZGRUSLSA-N 2 2 288.395 1.266 20 30 CDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221146 1163203252 /nfs/dbraw/zinc/20/32/52/1163203252.db2.gz CLBFSKPEDHWQFA-GJZGRUSLSA-N 2 2 288.395 1.266 20 30 CDEDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C#N)cc1F ZINC000591582472 342638228 /nfs/dbraw/zinc/63/82/28/342638228.db2.gz LYVIFLZRPIZNOP-YPMHNXCESA-N 2 2 277.343 1.726 20 30 CDEDLP N#CCC[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000591728957 342644663 /nfs/dbraw/zinc/64/46/63/342644663.db2.gz IOYNAYFHYNSJCB-UHFFFAOYSA-N 2 2 289.379 1.401 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507991 343080949 /nfs/dbraw/zinc/08/09/49/343080949.db2.gz SSIOAVBAUXGBDX-GOEBONIOSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507991 343080952 /nfs/dbraw/zinc/08/09/52/343080952.db2.gz SSIOAVBAUXGBDX-GOEBONIOSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507991 343080955 /nfs/dbraw/zinc/08/09/55/343080955.db2.gz SSIOAVBAUXGBDX-GOEBONIOSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507991 343080958 /nfs/dbraw/zinc/08/09/58/343080958.db2.gz SSIOAVBAUXGBDX-GOEBONIOSA-N 2 2 292.427 1.165 20 30 CDEDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C#N)cc1 ZINC000596654439 343372178 /nfs/dbraw/zinc/37/21/78/343372178.db2.gz OOZRQDOLWFZNNV-JTQLQIEISA-N 2 2 283.335 1.363 20 30 CDEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000619716207 349866980 /nfs/dbraw/zinc/86/69/80/349866980.db2.gz ASAXTYDSTZRCNM-CYBMUJFWSA-N 2 2 254.374 1.378 20 30 CDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000598714984 343881029 /nfs/dbraw/zinc/88/10/29/343881029.db2.gz LJYUSHMHMFMYTC-AWEZNQCLSA-N 2 2 286.379 1.767 20 30 CDEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)C[C@@H](C)O1 ZINC000598701826 343889699 /nfs/dbraw/zinc/88/96/99/343889699.db2.gz ZDLKAARLZQBBHP-RBSFLKMASA-N 2 2 297.443 1.376 20 30 CDEDLP N#CCC1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000601956448 344294757 /nfs/dbraw/zinc/29/47/57/344294757.db2.gz ARCXCKIBUPNLDF-QGZVFWFLSA-N 2 2 285.391 1.469 20 30 CDEDLP N#CCC1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000601956448 344294758 /nfs/dbraw/zinc/29/47/58/344294758.db2.gz ARCXCKIBUPNLDF-QGZVFWFLSA-N 2 2 285.391 1.469 20 30 CDEDLP Cc1cn2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2[nH+]1 ZINC000602096013 344344864 /nfs/dbraw/zinc/34/48/64/344344864.db2.gz HQQDCLBUOZMDLD-UHFFFAOYSA-N 2 2 297.362 1.361 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccnc(C#N)c3)C2)CC1 ZINC000610993004 346568940 /nfs/dbraw/zinc/56/89/40/346568940.db2.gz ZJTSXBUMYUCOTI-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)CC1 ZINC000610993004 346568945 /nfs/dbraw/zinc/56/89/45/346568945.db2.gz ZJTSXBUMYUCOTI-KRWDZBQOSA-N 2 2 299.422 1.165 20 30 CDEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(CCC#N)CC1 ZINC000611244785 346717889 /nfs/dbraw/zinc/71/78/89/346717889.db2.gz WUJVXUQQPWJZKN-AWEZNQCLSA-N 2 2 250.390 1.002 20 30 CDEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(CCC#N)CC1 ZINC000611244785 346717890 /nfs/dbraw/zinc/71/78/90/346717890.db2.gz WUJVXUQQPWJZKN-AWEZNQCLSA-N 2 2 250.390 1.002 20 30 CDEDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(C#N)cc2)CC1 ZINC000264375632 365904798 /nfs/dbraw/zinc/90/47/98/365904798.db2.gz NVBJUDUNOIFCNL-UHFFFAOYSA-N 2 2 273.380 1.447 20 30 CDEDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(C#N)cc2)CC1 ZINC000264375632 365904802 /nfs/dbraw/zinc/90/48/02/365904802.db2.gz NVBJUDUNOIFCNL-UHFFFAOYSA-N 2 2 273.380 1.447 20 30 CDEDLP C[C@@H](CC#N)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000068609561 351110495 /nfs/dbraw/zinc/11/04/95/351110495.db2.gz KHVWVGZTYSCGCG-AWEZNQCLSA-N 2 2 273.380 1.911 20 30 CDEDLP C#Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000279125284 359582468 /nfs/dbraw/zinc/58/24/68/359582468.db2.gz XRIRMRBSWWDVJY-OAHLLOKOSA-N 2 2 272.392 1.726 20 30 CDEDLP C=CCOCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000348043378 359794017 /nfs/dbraw/zinc/79/40/17/359794017.db2.gz GVMFCLWQFPEHQC-DLBZAZTESA-N 2 2 295.471 1.537 20 30 CDEDLP C=CCOCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000348043378 359794018 /nfs/dbraw/zinc/79/40/18/359794018.db2.gz GVMFCLWQFPEHQC-DLBZAZTESA-N 2 2 295.471 1.537 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337237254 360048934 /nfs/dbraw/zinc/04/89/34/360048934.db2.gz YNPXHHMCHMGUCN-CQSZACIVSA-N 2 2 280.416 1.165 20 30 CDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337237254 360048938 /nfs/dbraw/zinc/04/89/38/360048938.db2.gz YNPXHHMCHMGUCN-CQSZACIVSA-N 2 2 280.416 1.165 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247305621 361056304 /nfs/dbraw/zinc/05/63/04/361056304.db2.gz FONIIWJDUHWFDN-HZSPNIEDSA-N 2 2 276.384 1.457 20 30 CDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247305621 361056309 /nfs/dbraw/zinc/05/63/09/361056309.db2.gz FONIIWJDUHWFDN-HZSPNIEDSA-N 2 2 276.384 1.457 20 30 CDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCCC[C@H]2C)CC1 ZINC000491370828 365067038 /nfs/dbraw/zinc/06/70/38/365067038.db2.gz BGTLLPPUWPPWKR-NVXWUHKLSA-N 2 2 291.439 1.322 20 30 CDEDLP C[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000170904320 365158336 /nfs/dbraw/zinc/15/83/36/365158336.db2.gz WXSYPESLAHORQG-CQSZACIVSA-N 2 2 289.427 1.073 20 30 CDEDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271913879 367035691 /nfs/dbraw/zinc/03/56/91/367035691.db2.gz FTLMLUNNOWQHIG-WFASDCNBSA-N 2 2 291.370 1.805 20 30 CDEDLP C[N@@H+]1CCc2nc(NC(=O)[C@H]([NH3+])CCCC#N)sc2C1 ZINC000579831329 372641743 /nfs/dbraw/zinc/64/17/43/372641743.db2.gz QWRSXFPGWBDDSC-SECBINFHSA-N 2 2 293.396 1.091 20 30 CDEDLP C[N@H+]1CCc2nc(NC(=O)[C@H]([NH3+])CCCC#N)sc2C1 ZINC000579831329 372641747 /nfs/dbraw/zinc/64/17/47/372641747.db2.gz QWRSXFPGWBDDSC-SECBINFHSA-N 2 2 293.396 1.091 20 30 CDEDLP N#Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)o1 ZINC000368494936 374314846 /nfs/dbraw/zinc/31/48/46/374314846.db2.gz HRXLWHKKLULIOT-UHFFFAOYSA-N 2 2 256.309 1.974 20 30 CDEDLP N#Cc1ncn(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000353043299 374535044 /nfs/dbraw/zinc/53/50/44/374535044.db2.gz BYXJDKNTNQMYDR-UHFFFAOYSA-N 2 2 293.334 1.125 20 30 CDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1(C#N)CC1 ZINC000343296557 377877323 /nfs/dbraw/zinc/87/73/23/377877323.db2.gz DPXHZBLQWXEVIX-MCIONIFRSA-N 2 2 263.385 1.474 20 30 CDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1(C#N)CC1 ZINC000343296557 377877331 /nfs/dbraw/zinc/87/73/31/377877331.db2.gz DPXHZBLQWXEVIX-MCIONIFRSA-N 2 2 263.385 1.474 20 30 CDEDLP CN(C(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C)C1CC1 ZINC000262239608 391058901 /nfs/dbraw/zinc/05/89/01/391058901.db2.gz NUGSFUBGJVXQCF-LLVKDONJSA-N 2 2 266.414 1.760 20 30 CDEDLP COc1cccc(C(N)=[NH+]OCCCn2cc[nH+]c2C)c1 ZINC000271230432 391292086 /nfs/dbraw/zinc/29/20/86/391292086.db2.gz UGMOONHKFGVQJM-UHFFFAOYSA-N 2 2 288.351 1.927 20 30 CDEDLP C=C(C)CNC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000303869297 391309331 /nfs/dbraw/zinc/30/93/31/391309331.db2.gz DVAIEANGJMAECQ-UHFFFAOYSA-N 2 2 269.352 1.853 20 30 CDEDLP C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)Cn1cc[nH+]c1 ZINC000190894700 130159985 /nfs/dbraw/zinc/15/99/85/130159985.db2.gz PLFTWWQPVFQUDK-LBPRGKRZSA-N 2 2 257.341 1.519 20 30 CDEDLP CN1CC[NH+]=C1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000262639628 391804644 /nfs/dbraw/zinc/80/46/44/391804644.db2.gz HMVAAPUHRPSJGP-CYBMUJFWSA-N 2 2 276.384 1.698 20 30 CDEDLP Cc1[nH+]c2ccccc2n1CCNC1=[NH+]C[C@H](C)N1 ZINC000262679908 391811307 /nfs/dbraw/zinc/81/13/07/391811307.db2.gz VOFBURXJACNDPA-JTQLQIEISA-N 2 2 257.341 1.282 20 30 CDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000182065073 391940782 /nfs/dbraw/zinc/94/07/82/391940782.db2.gz RGBOEOGUCSNEKU-QGZVFWFLSA-N 2 2 285.391 1.901 20 30 CDEDLP N#Cc1ccccc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516435655 392812853 /nfs/dbraw/zinc/81/28/53/392812853.db2.gz WEZCBLWCVWYUGV-UHFFFAOYSA-N 2 2 267.336 1.604 20 30 CDEDLP C[C@@H](C[NH3+])C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423306846 392960191 /nfs/dbraw/zinc/96/01/91/392960191.db2.gz MDELLVCCEYZCDU-AWEZNQCLSA-N 3 2 286.423 1.707 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000335997875 151183697 /nfs/dbraw/zinc/18/36/97/151183697.db2.gz PSMPMZBLTAWLQR-CYBMUJFWSA-N 2 2 269.352 1.620 20 30 CDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000335997875 151183699 /nfs/dbraw/zinc/18/36/99/151183699.db2.gz PSMPMZBLTAWLQR-CYBMUJFWSA-N 2 2 269.352 1.620 20 30 CDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](CC(=C)C)CC2)nn1 ZINC000657353537 414205728 /nfs/dbraw/zinc/20/57/28/414205728.db2.gz RHHNYIKYRNTYDU-UHFFFAOYSA-N 2 2 289.427 1.984 20 30 CDEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C(C)(C)C ZINC000661759974 414339642 /nfs/dbraw/zinc/33/96/42/414339642.db2.gz NKCIDHZBHJVURL-ZDUSSCGKSA-N 2 2 258.406 1.212 20 30 CDEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C(C)(C)C ZINC000661759974 414339648 /nfs/dbraw/zinc/33/96/48/414339648.db2.gz NKCIDHZBHJVURL-ZDUSSCGKSA-N 2 2 258.406 1.212 20 30 CDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C(C)(C)C ZINC000661759974 414339653 /nfs/dbraw/zinc/33/96/53/414339653.db2.gz NKCIDHZBHJVURL-ZDUSSCGKSA-N 2 2 258.406 1.212 20 30 CDEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C(C)(C)C ZINC000661759974 414339660 /nfs/dbraw/zinc/33/96/60/414339660.db2.gz NKCIDHZBHJVURL-ZDUSSCGKSA-N 2 2 258.406 1.212 20 30 CDEDLP C=CCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nn1 ZINC000657482678 414387233 /nfs/dbraw/zinc/38/72/33/414387233.db2.gz DJKYVLXFGQZTER-LQDVMPOASA-N 2 2 275.400 1.569 20 30 CDEDLP C=CCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1 ZINC000657482678 414387238 /nfs/dbraw/zinc/38/72/38/414387238.db2.gz DJKYVLXFGQZTER-LQDVMPOASA-N 2 2 275.400 1.569 20 30 CDEDLP C=C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353582507 263194913 /nfs/dbraw/zinc/19/49/13/263194913.db2.gz RVZDKMKHCBKYOE-INIZCTEOSA-N 2 2 285.391 1.659 20 30 CDEDLP CC#CCCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000342054367 263384101 /nfs/dbraw/zinc/38/41/01/263384101.db2.gz LHYUOSKJYHIDNG-UHFFFAOYSA-N 2 2 279.428 1.322 20 30 CDEDLP C=CCN(Cc1ccccc1F)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653077107 423847835 /nfs/dbraw/zinc/84/78/35/423847835.db2.gz OSUQGLGGUHKTEJ-OAHLLOKOSA-N 2 2 293.386 1.619 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000370650943 267334729 /nfs/dbraw/zinc/33/47/29/267334729.db2.gz ODCLQDJUXKREFM-UHFFFAOYSA-N 2 2 291.439 1.747 20 30 CDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000370650943 267334731 /nfs/dbraw/zinc/33/47/31/267334731.db2.gz ODCLQDJUXKREFM-UHFFFAOYSA-N 2 2 291.439 1.747 20 30 CDEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000330891051 274250007 /nfs/dbraw/zinc/25/00/07/274250007.db2.gz WUSLXTKGSRZCCK-DOMZBBRYSA-N 2 2 259.353 1.275 20 30 CDEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000330891051 274250008 /nfs/dbraw/zinc/25/00/08/274250008.db2.gz WUSLXTKGSRZCCK-DOMZBBRYSA-N 2 2 259.353 1.275 20 30 CDEDLP Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c(C#N)c[nH+]1 ZINC000574567671 295019185 /nfs/dbraw/zinc/01/91/85/295019185.db2.gz PBOCZHFPAREXPI-KBPBESRZSA-N 2 2 258.369 1.968 20 30 CDEDLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)ccc1C#N ZINC000576129419 317082687 /nfs/dbraw/zinc/08/26/87/317082687.db2.gz CKBLLXZOIJSZSE-AWEZNQCLSA-N 2 2 275.352 1.035 20 30 CDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000564733211 327451903 /nfs/dbraw/zinc/45/19/03/327451903.db2.gz VQJNARUJVIGTAG-CYBMUJFWSA-N 2 2 288.395 1.212 20 30 CDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422857958 330157939 /nfs/dbraw/zinc/15/79/39/330157939.db2.gz HUWMJQXIQMDZGK-DZGCQCFKSA-N 3 2 251.418 1.615 20 30 CDEDLP C#C[C@H](CCC)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000491820925 332370372 /nfs/dbraw/zinc/37/03/72/332370372.db2.gz ZDJAVRAUPUKZDJ-CQSZACIVSA-N 2 2 294.443 1.114 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000113328506 527105400 /nfs/dbraw/zinc/10/54/00/527105400.db2.gz KLSXZVGKTSRUKX-OAHLLOKOSA-N 2 2 258.365 1.882 20 30 CDEDLP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000113328506 527105405 /nfs/dbraw/zinc/10/54/05/527105405.db2.gz KLSXZVGKTSRUKX-OAHLLOKOSA-N 2 2 258.365 1.882 20 30 CDEDLP N#Cc1ccc([C@H](O)C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000763225765 576723449 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C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947863423 613265969 /nfs/dbraw/zinc/26/59/69/613265969.db2.gz XMUGPKXSCKOYDA-ZIAGYGMSSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947863423 613265970 /nfs/dbraw/zinc/26/59/70/613265970.db2.gz XMUGPKXSCKOYDA-ZIAGYGMSSA-N 2 2 290.411 1.888 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652962 613288181 /nfs/dbraw/zinc/28/81/81/613288181.db2.gz SJVIJEZLXFCIBL-AWEZNQCLSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652962 613288183 /nfs/dbraw/zinc/28/81/83/613288183.db2.gz SJVIJEZLXFCIBL-AWEZNQCLSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652962 613288184 /nfs/dbraw/zinc/28/81/84/613288184.db2.gz SJVIJEZLXFCIBL-AWEZNQCLSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652962 613288186 /nfs/dbraw/zinc/28/81/86/613288186.db2.gz SJVIJEZLXFCIBL-AWEZNQCLSA-N 2 2 276.384 1.451 20 30 CDEDLP C=C(C)C[N@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981667884 613308101 /nfs/dbraw/zinc/30/81/01/613308101.db2.gz AATJXYBNVRJOKF-UHFFFAOYSA-N 2 2 290.411 1.463 20 30 CDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981667884 613308103 /nfs/dbraw/zinc/30/81/03/613308103.db2.gz AATJXYBNVRJOKF-UHFFFAOYSA-N 2 2 290.411 1.463 20 30 CDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977534479 613337845 /nfs/dbraw/zinc/33/78/45/613337845.db2.gz LSMUYWSOSHUJAS-CQSZACIVSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977534479 613337846 /nfs/dbraw/zinc/33/78/46/613337846.db2.gz LSMUYWSOSHUJAS-CQSZACIVSA-N 2 2 290.411 1.663 20 30 CDEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960376 613373782 /nfs/dbraw/zinc/37/37/82/613373782.db2.gz UZMSBVLANCJIJE-OCCSQVGLSA-N 2 2 299.846 1.471 20 30 CDEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981960376 613373783 /nfs/dbraw/zinc/37/37/83/613373783.db2.gz UZMSBVLANCJIJE-OCCSQVGLSA-N 2 2 299.846 1.471 20 30 CDEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960376 613373784 /nfs/dbraw/zinc/37/37/84/613373784.db2.gz UZMSBVLANCJIJE-OCCSQVGLSA-N 2 2 299.846 1.471 20 30 CDEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960376 613373785 /nfs/dbraw/zinc/37/37/85/613373785.db2.gz UZMSBVLANCJIJE-OCCSQVGLSA-N 2 2 299.846 1.471 20 30 CDEDLP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981549416 613386741 /nfs/dbraw/zinc/38/67/41/613386741.db2.gz APVSZCOFRLTDNY-STQMWFEESA-N 2 2 296.802 1.653 20 30 CDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943766378 613521311 /nfs/dbraw/zinc/52/13/11/613521311.db2.gz HZJZAUKXCADAMM-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943766378 613521314 /nfs/dbraw/zinc/52/13/14/613521314.db2.gz HZJZAUKXCADAMM-CHWSQXEVSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943178407 613535735 /nfs/dbraw/zinc/53/57/35/613535735.db2.gz SUDHLNUREHEZAV-JSGCOSHPSA-N 2 2 276.384 1.355 20 30 CDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943178407 613535737 /nfs/dbraw/zinc/53/57/37/613535737.db2.gz SUDHLNUREHEZAV-JSGCOSHPSA-N 2 2 276.384 1.355 20 30 CDEDLP CC#CC[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957774629 613561703 /nfs/dbraw/zinc/56/17/03/613561703.db2.gz WPYPKGPNUVCMKW-UHFFFAOYSA-N 2 2 277.412 1.030 20 30 CDEDLP N#C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786477 626094049 /nfs/dbraw/zinc/09/40/49/626094049.db2.gz JRKRFMOPQQWMBF-ZIAGYGMSSA-N 2 2 263.385 1.381 20 30 CDEDLP N#C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786477 626094052 /nfs/dbraw/zinc/09/40/52/626094052.db2.gz JRKRFMOPQQWMBF-ZIAGYGMSSA-N 2 2 263.385 1.381 20 30 CDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484196 1162637241 /nfs/dbraw/zinc/63/72/41/1162637241.db2.gz HDOMTOIGVCYRLP-ZDUSSCGKSA-N 2 2 276.384 1.118 20 30 CDEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCSC(C)(C)C1 ZINC000262009299 1160115414 /nfs/dbraw/zinc/11/54/14/1160115414.db2.gz UWSZSGGLUDWGST-UHFFFAOYSA-N 2 2 284.473 1.485 20 30 CDEDLP C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH2+]C(C)(C)C ZINC000123449337 1175251057 /nfs/dbraw/zinc/25/10/57/1175251057.db2.gz XJNVOOFSYJFNCK-OAHLLOKOSA-N 2 2 275.396 1.739 20 30 CDEDLP C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH2+]C(C)(C)C ZINC000123449337 1175251062 /nfs/dbraw/zinc/25/10/62/1175251062.db2.gz XJNVOOFSYJFNCK-OAHLLOKOSA-N 2 2 275.396 1.739 20 30 CDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752598363 1184879839 /nfs/dbraw/zinc/87/98/39/1184879839.db2.gz ZXFSVMQDEZMIKN-LBPRGKRZSA-N 2 2 262.357 1.109 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752635353 1184887445 /nfs/dbraw/zinc/88/74/45/1184887445.db2.gz YLLCVAADXWHEOA-BPLDGKMQSA-N 2 2 290.411 1.934 20 30 CDEDLP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752635353 1184887451 /nfs/dbraw/zinc/88/74/51/1184887451.db2.gz YLLCVAADXWHEOA-BPLDGKMQSA-N 2 2 290.411 1.934 20 30 CDEDLP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001755249786 1185876509 /nfs/dbraw/zinc/87/65/09/1185876509.db2.gz BMVFLGJCCWMVDM-KBPBESRZSA-N 2 2 298.390 1.762 20 30 CDEDLP